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{27E47617-CDB7-41D0-BE9A-2E2A4B8A1538}.Release|x64.Build.0 = Release|Any CPU + {BB912929-38DD-4736-899A-1FCC2BF0781A}.Debug|x64.ActiveCfg = Debug|Any CPU + {BB912929-38DD-4736-899A-1FCC2BF0781A}.Debug|x64.Build.0 = Debug|Any CPU + {BB912929-38DD-4736-899A-1FCC2BF0781A}.Release|x64.ActiveCfg = Release|Any CPU + {BB912929-38DD-4736-899A-1FCC2BF0781A}.Release|x64.Build.0 = Release|Any CPU + {4984BA62-0817-4D38-A158-513F078B8204}.Debug|x64.ActiveCfg = Debug|x64 + {4984BA62-0817-4D38-A158-513F078B8204}.Debug|x64.Build.0 = Debug|x64 + {4984BA62-0817-4D38-A158-513F078B8204}.Release|x64.ActiveCfg = Release|x64 + {4984BA62-0817-4D38-A158-513F078B8204}.Release|x64.Build.0 = Release|x64 + EndGlobalSection + GlobalSection(SolutionProperties) = preSolution + HideSolutionNode = FALSE + EndGlobalSection + GlobalSection(ExtensibilityGlobals) = postSolution + SolutionGuid = {56C29614-B08E-4040-9786-80684A0CD3AE} + EndGlobalSection +EndGlobal diff --git a/ClassicDSD/ClassicDSDBrowserIntegrationTests/ClassicDSDBrowserIntegrationTests.fsproj b/ClassicDSD/ClassicDSDBrowserIntegrationTests/ClassicDSDBrowserIntegrationTests.fsproj new file mode 100644 index 0000000..5ea3ad3 --- /dev/null +++ b/ClassicDSD/ClassicDSDBrowserIntegrationTests/ClassicDSDBrowserIntegrationTests.fsproj @@ -0,0 +1,24 @@ + + + + + netcoreapp3.1 + Exe + x64 + x64 + true + + + + + + + + + + + + + + + diff --git a/ClassicDSD/ClassicDSDBrowserIntegrationTests/Program.fs b/ClassicDSD/ClassicDSDBrowserIntegrationTests/Program.fs new file mode 100644 index 0000000..36da6c2 --- /dev/null +++ b/ClassicDSD/ClassicDSDBrowserIntegrationTests/Program.fs @@ -0,0 +1,35 @@ +module Program + +open System +open System.Diagnostics +open Expecto +open canopy +open canopy.types +open canopy.classic +open Microsoft.Research.CRNIntegrationTestLib + +[] +let main args = + let(dir,groups,timeout,args) = Program.separateArgsDist args + + // Start a web server + printfn "Starting 'dotnet serve' on %s" dir + let serverProcess = Process.Start("dotnet", sprintf "serve -d %s" dir) + printfn "'dotnet serve' started, PID = %d" serverProcess.Id + + let result = + try + let url = "http://localhost:8080" + BrowserSetup.configureCanopy timeout + let tests = Tests.tests groups Tests.Worker url + Program.run args tests + finally + printfn "Shutting down 'dotnet serve'..." + try serverProcess.Kill() with _ -> () + canopy.classic.quit() + + if System.Diagnostics.Debugger.IsAttached then + printf "Press any key to exit" + System.Console.ReadKey() |> ignore + + result \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDBrowserIntegrationTests/paket.references b/ClassicDSD/ClassicDSDBrowserIntegrationTests/paket.references new file mode 100644 index 0000000..0d34aef --- /dev/null +++ b/ClassicDSD/ClassicDSDBrowserIntegrationTests/paket.references @@ -0,0 +1,9 @@ +group DOTNETCORE + +Canopy +Expecto +FSharp.Core +Selenium.WebDriver +Selenium.WebDriver.ChromeDriver +Selenium.WebDriver.GeckoDriver.Win64 +Selenium.WebDriver.MicrosoftWebDriver \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDCLI/App.config b/ClassicDSD/ClassicDSDCLI/App.config new file mode 100644 index 0000000..e576da0 --- /dev/null +++ b/ClassicDSD/ClassicDSDCLI/App.config @@ -0,0 +1,106 @@ + + + + + + + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDCLI/ClassicDSDCLI.fsproj b/ClassicDSD/ClassicDSDCLI/ClassicDSDCLI.fsproj new file mode 100644 index 0000000..25f416f --- /dev/null +++ b/ClassicDSD/ClassicDSDCLI/ClassicDSDCLI.fsproj @@ -0,0 +1,43 @@ + + + + netcoreapp3.1 + Exe + x64 + True + true + ClassicDSD + + + + + PreserveNewest + + + PreserveNewest + + + Always + + + + + + + + + + + + ..\..\Lib\Oslo.FSharp\Oslo.FSharp.dll + + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDCLI/Program.fs b/ClassicDSD/ClassicDSDCLI/Program.fs new file mode 100644 index 0000000..a124c53 --- /dev/null +++ b/ClassicDSD/ClassicDSDCLI/Program.fs @@ -0,0 +1,138 @@ +module Microsoft.Research.DSD.Classic + +open Microsoft.Research.CliLibrary +open Microsoft.Research.CRNEngine +open Microsoft.Research.DNA +open Argu + +type DSDArgs = + | Svg +with + interface IArgParserTemplate with + member s.Usage = + match s with + | Svg -> "Create SVG image of the species" + +[] +let main args = + // Enforce invariant culture (prevents issues with decimal separators on international systems). + System.Threading.Thread.CurrentThread.CurrentCulture <- System.Globalization.CultureInfo.InvariantCulture + + let dsd_parser = ArgumentParser.Create(programName = "ClassicDSD") + let dsd_results = dsd_parser.Parse(args, ignoreUnrecognized=true) + let export_svg = dsd_results.Contains Svg + + let parser code : Microsoft.Research.CRNEngine.InferenceSiteGraph.IGraph = + let crn = Dsd.compile code + + // DSD-specific actions on a compiled program + if export_svg + then + let svg = crn.to_svg() |> Svg.to_string Crn.default_svg_style + let name = if crn.name = "" then System.IO.Path.GetFileNameWithoutExtension (Array.last args) else crn.name + System.IO.File.WriteAllText (name + "_initials.svg", svg) + printfn "Wrote file %s_initials.svg" name + + // Must return InferenceSiteGraph type for generic CLI tool + { task = None + ; nodes = Map.ofList ["DSDmodel", { top = crn; systems = [] }] + ; edges = Map.empty + ; expanded = false + } + + let parsedArgs = Program.args_results args + match Program.get_program_name parsedArgs with + | None -> -1 + | Some path -> + let code = Program.string_of_file path + let bundle = code |> Dsd.parse + if Dsd.is_jit bundle + then + if Program.hasSimulate parsedArgs + then + let results = + match Dsd.to_jit bundle with + | Choice1Of2 classicJit -> + let calculus = Dsd.makeDsdCalculus bundle + Microsoft.Research.CRNEngine.Jit.simulate classicJit calculus |> snd + + | Choice2Of2 logicJit -> + let calculus = Dsd.to_rules_calculus bundle + Microsoft.Research.CRNEngine.Jit.simulate logicJit calculus |> snd + let _, fileOptions = Program.getFileOptions path parsedArgs + let to_file = if fileOptions.horizontal then Io.to_file_horizontal else Io.to_file_vertical + let outDir = Simulation.prepareOutputDirectory fileOptions.name fileOptions.copy + // let simDir = Simulation.prepareSimulationDirectory outDir i.model i.sweep + to_file (System.IO.Path.Combine (outDir, "instance.tsv")) "\t" string results + 0 + else -1 + else + let ret = Program.main parser args + ret + + (* + let do_rg = ref true + let limit = ref 0 + let do_ss = ref false + let do_ss_interactive = ref false + let trace_input = ref None + let limit_ss = ref 0 + let animate_reactions = ref false + let pause = ref false + let in_file = ref "" + let verbose = ref false + let switches = [ ArgInfo ("-no_rg", ArgType.Clear do_rg, "Do not compute reaction graph") + ; ArgInfo ("-limit", ArgType.Int (fun i -> limit := i), "Limit exploration of reaction graph") + ; ArgInfo ("-ss", ArgType.Set do_ss, "Compute state space") + ; ArgInfo ("-limit_ss", ArgType.Int (fun i -> limit_ss := i), "Limit exploration of state space") + ; ArgInfo ("-ss_interactive", ArgType.Set do_ss_interactive, "Explore state space interactively") + ; ArgInfo ("-animate_reactions", ArgType.Set animate_reactions, "Generate animated reactions") + ; ArgInfo ("-trace_input", ArgType.String (fun s -> trace_input := Some s), "Read interactive input from file") + ; ArgInfo ("-pause", ArgType.Set pause, "Pause after execution") + ; ArgInfo ("-v", ArgType.Set verbose, "Print .dot to screen") ] + let anon_fun s = in_file := s + let message = "provide one filename followed by options:" + try + ArgParser.Parse (switches, anon_fun, message); + with Failure s -> printfn "%s" s + + if !in_file = "" then ArgParser.Usage (switches, message); 1 + else + // run_rudimentary (); + let program = System.IO.File.ReadAllText(!in_file) + let enzymes, toehold_map, strands, ss = SiteGraphReactor.Sitegraphs.compile program + + if !do_rg then + let dot = SiteGraphReactor.Sitegraphs.reaction_graph_to_svgdot !limit enzymes toehold_map strands (ss |> Seq.map snd |> List.ofSeq) + // let dot = Sitegraphs.to_dot strands ss + let out_file = System.IO.Path.ChangeExtension(!in_file, "dot") + System.IO.File.WriteAllText(out_file, dot); + printfn "Wrote file %s" out_file; + if !verbose then printfn "%s" dot + + if !do_ss then + let state_space = SiteGraphReactor.States.state_space !limit_ss enzymes toehold_map strands ss + let ss_dot = SiteGraphReactor.Sitegraphs.state_space_to_svgdot strands state_space ss + let ss_out_file = System.IO.Path.Combine(System.IO.Path.GetDirectoryName !in_file, sprintf "%s_ss.dot" (System.IO.Path.GetFileNameWithoutExtension !in_file)) + System.IO.File.WriteAllText(ss_out_file, ss_dot); + printfn "Wrote state space file %s" ss_out_file; + if !verbose then printfn "%s" ss_dot + + if !do_ss_interactive then + let next_choice = + match !trace_input with + | None -> System.Console.ReadLine + | Some tf -> + let choices = System.IO.File.ReadAllLines tf + let n = ref 0 + fun () -> + let c = choices.[!n] + n := 1 + !n + c + SiteGraphReactor.States.state_space_interactive next_choice !limit_ss !animate_reactions enzymes toehold_map strands ss + + if !pause then System.Console.ReadLine () |> ignore; + + 0 // return an integer exit code + *) + diff --git a/ClassicDSD/ClassicDSDCLI/crossover_individual.dna b/ClassicDSD/ClassicDSDCLI/crossover_individual.dna new file mode 100644 index 0000000..bce580b --- /dev/null +++ b/ClassicDSD/ClassicDSDCLI/crossover_individual.dna @@ -0,0 +1,99 @@ +directive simulation { final=8.0; points=1000; plots=[] } +(*directive time h*) +directive polymers +directive compilation infinite +directive simulator deterministic +directive deterministic {stiff=true} +directive localconcentrations [ (l1,local); (l2,local); (l3,local); (l4,local) ] +directive parameters [ + ka=1.85769618581392; + kx=1.25308366310491; + kyl=2.06410688539547; + ky2=2.06410688539547, {interval=Log; distribution=Uniform(0.005,10.0); variation=Random }; + kf=1.50017620467483; + kl=0.00839768267566365, {interval=Log; distribution=Uniform(0.0001,1.0); variation=Random }; + local=66041.5482535977; + ro=0.154750673030718; + + full=0.75, { interval=Real; distribution=Uniform(0.5, 1.0); variation=Random }; + NI_A=2.5, { interval=Real; distribution=Uniform(1.0,5.0); variation=Random }; + NI_B=2.5, { interval=Real; distribution=Uniform(1.0,5.0); variation=Random }; + T0_A=0.2, { interval=Real; distribution=Uniform(0.1,0.25); variation=Random }; + T0_B=0.2, { interval=Real; distribution=Uniform(0.1,0.25); variation=Random }; + + ZA=0.0; ZB=0.0; + T0=0.1; NS=50.0; NF=100.0; NO=0.0; NR=20.0 +] +directive sweeps [ cA = [ ZA = [1.0]; NO=[5.0] ]; cB = [ ZB = [1.0]; NO=[4.0] ] ] +directive data [wireA_FAM_170312; wireB_Cy5_170312] + +directive inference { burnin = 50000; samples = 50000; thin = 20 } + +dom a0 = { colour = "blue"; bind = ka; unbind = 0.0 } +dom b0 = { colour = "blue"; bind = ka; unbind = 0.0 } +dom f = { colour = "green"; bind = kf; unbind = 0.0 } +dom fc = { colour = "purple"; bind = kf; unbind = 0.0 } +dom x' = { colour = "orange"; bind = kx*ro; unbind = 0.0 } +dom xc' = { colour = "darkorange"; bind = kx*ro; unbind = 0.0 } +dom i = { colour = "orange"} +dom x = { colour = "orange"; bind = kx; unbind = 0.0; subdomains = [x';i] } +dom xc = { colour = "darkorange"; bind = kx; unbind = 0.0; subdomains = [xc';i] } +dom y = { colour = "red"; bind = kyl; unbind = 0.0 } +dom y2 = { colour = "red"; bind = ky2; unbind = 0.0 } +dom Q = { colour = "black" } +dom F = { colour = "yellow" } +new s + +(* Species *) +def input(a0) = {a0^* s*} +def inter(x,i) = {i^* x^* s*} +def output(x,r) = {t*}[s]{r^> +def fuel(f,x,i) = {f^*}[s*]{i^* x^*> +def rep(y) = {y^*}[s*]{F^} +def rept(y) = {y^*}[s* t*]{F^} +def signal() = +def trigger(y) = +def start(l,a0,f) = [s]{f^> +def start_input(l,a0,f) = [a0^ s] +def start_input_fuel(l,a0,f,x,i) = [a0^ s]::[f^ s*]{i^* x^* s*} +(*def leaked(l,x,y) = {TOP}:[x^ s]*) +def mid(l1,l2,x,f) = [s]{f^> +def end(l,x,y) = {t*}[s]{y^> +def wireA() = + [[ start(l1,a0,f) + | mid(l1,l2,x',f) + | mid(l2,l3,x',f) + | end(l3,x',y) ]] +def wireB() = + [[ start(l1,b0,fc) + | mid(l1,l2,xc',fc) + | mid(l2,l3,xc',fc) + | mid(l3,l4,xc',f) + | end(l4,x',y2) ]] + +(*def Addition3(NI,NO,full,y,l) = +( NI * (1.0-full) * [[ start(l,a0,f) ]] +| (NO - (NI*full)) * [[ mid(l2,l,x',f) | end(l,x',y) ]] +| rxn [[ start_input_fuel(l,a0,f,x',i) ]] + [[ mid(l2,l,x',f) | end(l,x',y) ]] ->{kl*ro + kl} [[ leaked(l,x',y) ]] +)*) + +(* Modules *) +def circuitA() = +( NI_A * full * wireA() +(*| Addition3(NI_A,NO,full,y,l1)*) +| NS * input(a0) @ T0_A +| NF * fuel(f,x',i) +| NF * fuel(fc,xc',i) +| NR * rept(y) +) +def circuitB() = +( NI_B * full * wireB() +(*| Addition3(NI_B,NO,full,y2,l1)*) +| NS * input(b0) @ T0_B +| NF * fuel(f,x',i) +| NF * fuel(fc,xc',i) +| NR * rept(y2) +) + +(* Program *) +circuitA() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDCLI/paket.references b/ClassicDSD/ClassicDSDCLI/paket.references new file mode 100644 index 0000000..9b0c590 --- /dev/null +++ b/ClassicDSD/ClassicDSDCLI/paket.references @@ -0,0 +1,4 @@ +group DOTNETCORE + +FSharp.Core +argu \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDCLI/test_dom_keyword.dna b/ClassicDSD/ClassicDSDCLI/test_dom_keyword.dna new file mode 100644 index 0000000..2fc64ca --- /dev/null +++ b/ClassicDSD/ClassicDSDCLI/test_dom_keyword.dna @@ -0,0 +1,9 @@ +directive simulation {initial=0; final=7000} + +dom 3 = {bind=4.2E-4; unbind=4.0E-2} +new 5@ 6.5E-4 , 4.0E-3 + +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDCLI/test_sequencerates.dna b/ClassicDSD/ClassicDSDCLI/test_sequencerates.dna new file mode 100644 index 0000000..612beba --- /dev/null +++ b/ClassicDSD/ClassicDSDCLI/test_sequencerates.dna @@ -0,0 +1,14 @@ +directive simulation {initial=0; final=7000} +directive sequenceRates + +dom 1 = { seq = CCCAAAACAAAACAAAACAA } +dom 2 = { seq = CCCTTTTCTAAACTAAACAA } +dom 3 = { bind = 4.2E-4; unbind = 4.0E-2; seq = TATTCC } +dom 4 = { seq = CCCTTATCATATCAATACAA } +dom 5 = { bind = 6.5E-4; unbind = 4.0E-3; seq = GCTA } +dom 6 = { seq = CCCTTTACATTACATAACAA } + +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/AssemblyInfo.fs b/ClassicDSD/ClassicDSDDotNet/AssemblyInfo.fs new file mode 100644 index 0000000..cb93812 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/AssemblyInfo.fs @@ -0,0 +1,43 @@ +namespace ClassicDSDDotNet.AssemblyInfo + +open System.Reflection +open System.Runtime.CompilerServices +open System.Runtime.InteropServices + +// General Information about an assembly is controlled through the following +// set of attributes. Change these attribute values to modify the information +// associated with an assembly. +[] +[] +[] +[] +[] +[] +[] +[] + +// Setting ComVisible to false makes the types in this assembly not visible +// to COM components. If you need to access a type in this assembly from +// COM, set the ComVisible attribute to true on that type. +[] + +// The following GUID is for the ID of the typelib if this project is exposed to COM +[] + +// Version information for an assembly consists of the following four values: +// +// Major Version +// Minor Version +// Build Number +// Revision +// +// You can specify all the values or you can default the Build and Revision Numbers +// by using the '*' as shown below: +// [] +[] +[] + +[] + +do + () \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/ClassicDSDDotNet.fsproj b/ClassicDSD/ClassicDSDDotNet/ClassicDSDDotNet.fsproj new file mode 100644 index 0000000..11da838 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/ClassicDSDDotNet.fsproj @@ -0,0 +1,74 @@ + + + + netstandard2.0 + true + x64 + x64 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + ..\..\Lib\Oslo.FSharp\Oslo.FSharp.dll + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/DSDParser.fs b/ClassicDSD/ClassicDSDDotNet/DSDParser.fs new file mode 100644 index 0000000..b7c5597 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/DSDParser.fs @@ -0,0 +1,547 @@ +[] +module Microsoft.Research.DNA.DSDParser + +open Parser +open Syntax +open Microsoft.Research.CRNEngine +open RulesDSD +open Microsoft.Research.DNA.LogicDSD + +(* +module Expression = Microsoft.Research.CRNEngine.Expression +module Options = Options +*) +type 'site strand = 'site list + +(* Syntax *) +type domain = + { name : string + ; complemented : bool + ; toehold : bool } + +type normal_site = + { domain : domain + ; doc : Value.t } + +type tether = + { tags : string list + ; pos : Types.pos } + +type site = Site of normal_site | Tether of tether + +type toehold = + { name : string + ; bind_rate : float + ; unbind_rate : float } + +type 'site hpl = + { loop : 'site strand + ; middle : 'site strand + ; upper_right : 'site strand + ; lower_right : 'site strand } + +type 'site m = + { upper_left : 'site strand + ; lower_left : 'site strand + ; middle : 'site strand + ; upper_right : 'site strand + ; lower_right : 'site strand } + +type 'site hpr = + { loop : 'site strand + ; middle : 'site strand + ; upper_left : 'site strand + ; lower_left : 'site strand } + +type 'site segment = + | HairpinLeft of 'site hpl + | Middle of 'site m + | HairpinRight of 'site hpr + +type 'site gate = + | Singleton of 'site segment + | JoinLower of 'site gate * 'site gate + | JoinUpper of 'site gate * 'site gate + +type 'site species = + | StrandUpper of 'site strand + | StrandLower of 'site strand + | Gate of 'site gate + | LogicDsdProcess of RulesDSD.Syntax.Process // CS: horrible hack: I'm adding this string field to host Logic DSD species, and still be compatible/reuse with the existing parser/process conversion + +type 'site complex = int * 'site species list + +type 'site t = toehold list * 'site complex list + +//let dummy_range = None +let to_range pos : Value.range = Some (pos, pos) + +let to_float pos f = Microsoft.Research.DNA.Value.Float(f, to_range pos) +//let to_int pos i = Microsoft.Research.DNA.Value.Int(i, to_range pos) + +let map_site pos = + function + | Site s -> + let d = Value.Variable(s.domain.name, to_range pos) + if s.domain.toehold then + Domain.Toe(d, s.doc, s.domain.complemented, None) + else + Domain.Normal(d, s.domain.complemented, None) + | Tether tether -> + let domain_tags = tether.tags |> List.map (fun t -> t, 1.0) + Domain.Normal(Value.Variable("tether", to_range pos), false, Some (domain_tags, 0)) + +let to_domains pos = List.map (map_site pos) + +let to_segment pos = function + | HairpinLeft hpl -> + Segment.Hairpin + ( to_domains pos hpl.lower_right + , to_domains pos hpl.upper_right + , to_domains pos hpl.middle + , to_domains pos hpl.loop + , Segment.Left) + | Middle m -> + Microsoft.Research.DNA.Segment.Double + ( to_domains pos m.lower_left + , to_domains pos m.upper_left + , to_domains pos m.middle + , to_domains pos m.upper_right + , to_domains pos m.lower_right) + | HairpinRight hpr -> + Microsoft.Research.DNA.Segment.Hairpin + ( to_domains pos hpr.lower_left + , to_domains pos hpr.upper_left + , to_domains pos hpr.middle + , to_domains pos hpr.loop + , Microsoft.Research.DNA.Segment.Right) + +let rec to_gate pos = function + | Singleton segment -> [[to_segment pos segment]] + | JoinLower (gl, gr) -> + let ssl = to_gate pos gl + let ssr = to_gate pos gr + match List.rev ssl, ssr with + | (last::l_rest_rev), (first::r_rest) -> (List.rev l_rest_rev)@((last@first)::r_rest) + | _,_ -> failwith "malformed gate" + | JoinUpper (gl, gr) -> to_gate pos gl @ to_gate pos gr + +let start_time pos = to_float pos 0.0 +let starting_at t f x = f (x, t) +let at_start pos f = starting_at (start_time pos) f + +let to_species pos = function + | StrandUpper sites -> sites |> List.map (map_site pos) |> Microsoft.Research.DNA.Strand.Upper |> Microsoft.Research.DNA.Species.STRAND + | StrandLower sites -> sites |> List.map (map_site pos) |> Microsoft.Research.DNA.Strand.Lower |> Microsoft.Research.DNA.Species.STRAND + | Gate gate -> gate |> to_gate pos |> Microsoft.Research.DNA.Species.GATE + | LogicDsdProcess p -> Microsoft.Research.DNA.Species.LogicDsdProcess p + +let to_process pos (s,t) = + match s with + | StrandUpper sites -> sites |> List.map (map_site pos) |> Microsoft.Research.DNA.Strand.Upper |> starting_at t Microsoft.Research.DNA.Process.Strand + | StrandLower sites -> sites |> List.map (map_site pos) |> Microsoft.Research.DNA.Strand.Lower |> starting_at t Microsoft.Research.DNA.Process.Strand + | Gate gate -> gate |> to_gate pos |> starting_at t Microsoft.Research.DNA.Process.Gate + | LogicDsdProcess p -> Microsoft.Research.DNA.Process.LogicDsdProcess (p, t) + +(* Parsing *) +let mk_domain ((n, t), c) = + { name = n + ; complemented = c + ; toehold = t } + +let mk_site pos (d, doco) = + { domain = d + ; doc = match doco with Some doc -> doc | None -> to_float pos 1.0 } + |> Site + +let mk_tether pos tags = Tether { tags = tags; pos = pos } + +let pname allowDots = many1Satisfy (fun c -> isLetter c || isDigit c || c = '_' || c = '\'' || (if allowDots then c = '.' else false)) "an identifier" +let parse_name = pname false + +let after p s = p .>>. opt (pstring s) |>> function n, None -> (n, false) | n,_ -> (n,true) + +let op_plus pos a b = Value.Op (a, Value.Plus, b, to_range pos) +let op_minus pos a b = Value.Op (a, Value.Minus, b, to_range pos) +let op_mul pos a b = Value.Op (a, Value.Mul, b, to_range pos) +let op_div pos a b = Value.Op (a, Value.Div, b, to_range pos) +let op_power pos a b = Value.Op (a, Value.Power, b, to_range pos) +let op_modulo pos a b = Value.Op (a, Value.Modulo, b, to_range pos) + +let rec map_value pos = function + | Expression.Float f -> Value.Float (f, to_range pos) + | Expression.Key s -> Value.Variable (s, to_range pos) + | Expression.Plus (e::es) -> es |> List.map (map_value pos) |> List.fold (op_plus pos) (map_value pos e) + | Expression.Minus {sub1=a; sub2=b} -> op_minus pos (map_value pos a) (map_value pos b) + | Expression.Times (e::es) -> es |> List.map (map_value pos) |> List.fold (op_mul pos) (map_value pos e) + | Expression.Divide {div1=a; div2=b} -> op_div pos (map_value pos a) (map_value pos b) + | Expression.Power {base_=a; exponent=b} -> op_power pos (map_value pos a) (map_value pos b) + | Expression.Modulo {div=a; modulo=b} -> op_modulo pos (map_value pos a) (map_value pos b) + | Expression.Ceiling x -> Value.Ceiling (map_value pos x, to_range pos) + | Expression.Floor x -> Value.Floor (map_value pos x, to_range pos) + | _ -> failwith "unsupported expression" + +(* + CS: The lookahead of a parenthesis '(' in parse_value disambiguates + some ambiguities of the DSD grammar in dealing with expressions, + initializations and modules. + + Consider this program P with a module N: + P = def N() = <_> + ( 3 * N ()) + + The inner process in P is supposed to be parsed as: + 3 * ( N () ) + + However, the Expression parser is greedy and tries to parse 'N' as a value: + ( 3 * N ) () + + and then fails, because "()" is not a valid species. + The lookahead verifies that a name is not followed by a parenthesis + (and therefore it is not a module). + It would be better to restrict the grammar to either change '*' with 'of' + in the initialization, or to force composite expressions to be wrapped + by parentheses (i.e. 2*3* N() must be written as ( (2*3) * N() ) +*) +let parse_value_orig = parse_name .>> spaces + |> Expression.parse + |~> map_value +let pValue = (pTry (parse_name .>> spaces >>= fun x -> (kw "(" >>. failParser "") <|> preturn x ) ) + |> Expression.parse +let parse_value = pValue |~> map_value + +let map_values pos = List.map (map_value pos) +let tuple p = sepBy p (skw ",") |> paren + +let rec parse_values st : Parser.Result = + let x = parse_value <|> (parse_values |~> fun pos vs -> Value.Tuple (vs, to_range pos) ) + x |> tuple <| st + +let (&>) s p = kw s >>. p + +let parse_doc st = + (* According to the grammar, an integer can be both an identifier and a float. + This introduces an ambiguity when parsing strands. Consider for example: + <1^ 2> + This can be parsed either as the strand with two sites <(1^) (2)>, + or as the strand with a single site with rate 2 <(1^(2))>. + If the "pfloat" parser is used in the code below, the grammar always gives + precedence to the second interpretation. However, the grammar should + prioritize the first interpretation instead. Therefore we have to implement + a lookup in the grammar: if we have an integer that is *not* followed by a dot, + then the integer is actually an identifier, and the doc parser should return the + default value. Otherwise it is a float and should be parsed as such. *) + let pdefault pos = to_float pos 1.0 + choice + [ pTry (pint32 >>. + choice [ kw "." >>. failParser "" // Float found: fail the current parser and + // let the float be parsed by "pfloat" + ; fun _ -> OkEmpty (pdefault (snd st), st)]) // Identifier found: return + ; pfloat |~> to_float + ; parse_value |> paren + ; preturn () |~> fun pos () -> pdefault pos] + st + +let parse_site allowUnderscores name = + let domainname_doc = name +>>+ opt (kw "^" >>. parse_doc) + let site = after domainname_doc "*" >>= fun ((n, doco), c) (str, pos) -> + if n = "_" && not allowUnderscores + then Parser.failParser "domain name \"_\" not allowed" (str, pos) + else let dom = (mk_domain ((n, doco.IsSome), c), doco) |> mk_site pos + Parser.preturn dom (str, pos) + let int_name = (name <|> (pint32 |>> string)) +>> spaces + let tether = "tether" &> (sepBy1 int_name (skw ",") |> paren) |~> mk_tether + (tether .>> spaces) <|> pTry (site .>> spaces ) + +let sep_by_bars p = sepBy1 p (skw "|") + +let mk_hpl loop m (u, l) = + { loop = loop + ; middle = m + ; upper_right = u + ; lower_right = l } + |> HairpinLeft |> Singleton + +let mk_m (ul, ll) m (ur, lr) = + { upper_left = ul + ; lower_left = ll + ; middle = m + ; upper_right = ur + ; lower_right = lr } + |> Middle |> Singleton + +let mk_hpr (u, l) m loop = + { loop = loop + ; middle = m + ; upper_left = u + ; lower_left = l } + |> HairpinRight |> Singleton + +let alternatives l = + match List.rev (List.map pTry l) with + | [] -> choice [] + | h::t -> + h :: (t |> List.map attempt) |> List.rev |> choice + +let strand_gate site upperSep lowerSep = + let sites = Parser.many1 site + + let upper = sites |> bracket "<" ">" + let lower = sites |> bracket "{" "}" + let double = sites |> bracket "[" "]" + let left_hp = sites |> bracket "<" "}" + let right_hp = sites |> bracket "{" ">" + + let overhangs = + choice + [ upper .>>. (lower <|> preturn []) + ; lower .>>. (upper <|> preturn []) >>= fun (b, a) -> preturn (a, b) + ; preturn ([], []) ] + + let hpl = pipe3 left_hp double overhangs mk_hpl + let hpr = pipe3 overhangs double right_hp mk_hpr + let m = pipe3 overhangs double overhangs mk_m + let segment = alternatives [hpl; hpr; m] + + let connect_upper = upperSep |>> fun _ l r -> JoinUpper (l, r) + let connect_lower = lowerSep |>> fun _ l r -> JoinLower (l, r) + let connect = (attempt connect_upper) <|> connect_lower + let gate = chainl1 segment connect |>> Gate + + let strand = (upper |>> StrandUpper) <|> (lower |>> StrandLower) + + strand, gate + +let do_parse_molecule upperSep lowerSep allowDots allowUnderscore = + let strand, gate = pname allowDots |> parse_site allowUnderscore |> fun x -> strand_gate x upperSep lowerSep + + // CS: new: parse a Logic DSD process + let logicDsdComplex = + let cache = RulesDSD.Syntax.makeProvider () + let siteParser = Microsoft.Research.DNA.LogicDSD.psite Microsoft.Research.DNA.LogicDSD.engine cache true + Parser.sqBrackets (RulesDSD.Parser.psystem siteParser) + |>> LogicDsdProcess + + Parser.plookAheadWith ( + Parser.choice [ + Parser.pTry (Parser.kw "[" >>. Parser.kw "<" >>= fun _ -> preturn true) + preturn false + ]) + >>= fun isLogicDSD -> + if isLogicDSD + then logicDsdComplex + else (attempt gate) <|> strand + +let parse_molecule_dots = do_parse_molecule (kw "::") (kw ":") true +let parse_molecule = do_parse_molecule (kw "::") (kw ":") false + + +let at_time = ("@" &> parse_value) |> Parser.opt + +let parse_ground_species allowUnderscore = + [ parse_name .>>. parse_values .>>. at_time |>> fun ((n, vs), t) -> Process.Instance(n,None,vs,t) + ; parse_molecule allowUnderscore .>>. at_time |~> to_process + ] |> choice + +let parse_species allowUnderscore = + [ (parse_ground_species allowUnderscore |> sep_by_bars |> bracket "[[" "]]") +>>+ at_time |>> Process.Origami // NB: currently this allows timed species inside an origami, whereas the original parser does not + ; parse_ground_species allowUnderscore + ] |> choice + +let parse_string = manySatisfy ((<>) '\"') |> bracket "\"" "\"" + +let subdomain = pTry (parse_name .>> pstring "*" |>> sprintf "%s*") <|> parse_name + +let binding = + [ "seq" &> ("=" &> parse_name |~> fun pos name -> "seq", Process.DNA (name, to_range pos)) + ; "colour" &> ("=" &> parse_string |~> fun pos name -> "colour", Process.Colour (name, to_range pos)) + //; parse_name +>>+ ("=" &> parse_name) |~> fun pos (name, var) -> name, Process.Rate (Value.Variable (var, to_range pos)) TODO: Is this case redundant? + ; parse_name +>> kw "=" >>= fun name -> + choice [ pTry (after (list_of1 subdomain) "*") |~> fun pos (doms, short) -> name, Process.Subdomains ((doms, short), to_range pos) + ; parse_value |>> fun var -> name, Process.Rate var ] + ] |> choice + +let record = sepEndBy1 binding (skw ";") |> bracket "{" "}" + + +let int_name = parse_name <|> (pint32 |>> string) + +let restriction = + int_name .>> spaces >>= fun n -> + choice [ "@" &> parse_value +>>+ ("," &> parse_value_orig) |>> fun (b, u) -> n, [("bind", Process.Rate(b)); ("unbind", Process.Rate(u))] + ; kw "=" >>. preturn n .>>. record + ; preturn (n, []) + ] + +let map_rate _ = function + | Rate.MassAction v -> v (*|> map_value pos*) |> Dsdreaction.Crn_ma + | Rate.Function f -> f |> Dsdreaction.Crn_func + +let to_dsd_reaction pos (r: Reaction, Expression.t>>) = + { Dsdreaction.ma_catalysts = r.catalysts + ; Dsdreaction.ma_reactants = r.reactants + ; Dsdreaction.ma_products = r.products + ; Dsdreaction.ma_rate = r.rate |> map_rate pos + ; Dsdreaction.ma_reverseRate = r.reverse |> Option.map (map_rate pos) } + +let before s p = opt (kw s) .>>. p |>> function None, n -> (false, n) | _, n -> (true, n) + + +(***********************) +//type TempInitialRecord = failwith "" +(***********************) + +let rec parse_proc st = + let pKey = Key.parse (parse_species false) + [ "new" &> restriction +>>+ parse_proc |>> Process.New + ; pTry ( + opt (kw "rxn") + >>. Reaction.parse // parse a reaction... + (parse_species false) // ... with these species ... + (Expression.parse parse_name) // ... with these rate values... + (Expression.parse pKey) + (Expression.Float 1.0) // ... in these rate expressions + |~> (fun pos -> to_dsd_reaction pos >> Process.Chemical) + "a reaction" + ) + ; pTry ("constant" &> parse_species false + |~> fun pos p -> Process.Repeat(Value.Int(1, to_range pos), true, p, None, None)) + + ; pTry (parse_species false .>> choice [kw "with"; kw "="] >>= fun p -> + let proc = Process.Repeat(Value.Int(0, None), false, p, None, None) + Parser.record + proc + [ "spatial", Spatial_initial.parser |>> fun sp p -> + match p with + | (Process.Repeat(x,b,p',t,_)) -> + Process.Repeat(x,b,p',t, Some sp) + | _ -> failwith "Unexpected initial" + "time", Value.parse |>> fun t' p -> + match p with + | (Process.Repeat(x,b,p',_,sp)) -> + Process.Repeat(x,b,p',Some t',sp) + | _ -> failwith "Unexpected initial" + "value", Value.parse |>> fun v' p -> + match p with + | (Process.Repeat(_,b,p',t,sp)) -> + Process.Repeat(v',b,p',t,sp) + | _ -> failwith "Unexpected initial" + "constant", Parser.pbool .>> spaces |>> fun b' p -> + match p with + | (Process.Repeat(v,_,p',t,sp)) -> + Process.Repeat(v,b',p',t,sp) + | _ -> failwith "Unexpected initial" ] + |~> fun pos proc -> match proc with + | (Process.Repeat(v,b,p,t,sp)) -> + let t' = match t with + | Some time -> Some (Value.set_range (to_range pos) time) + | None -> None + Process.Repeat(v,b,p,t',sp) + | _ -> failwith "Unexpected initial" + ) + //let initial = + //Parser.record ["spatial", id] ) + ; pTry (before "constant" parse_value +>>+ ((kw "*" <|> kw "of" <|> Parser.preturn "") >>. before "constant" (parse_species false)) + |~> fun pos ((c1,n), (c2,p)) -> Process.Repeat(n, c1||c2, p, None, None) + "species initial" + ) + ; (pTry <| parse_species false) "a species" + ; parse_proc |> sep_by_bars |> paren |>> Process.Parallel + ] |> choice <| st + + + + +let rec parse_parameters st = tuple do_parse_param st +and + do_parse_param = + ( (parse_parameters >>= (Pattern.Pat >> preturn)) + <|> ( parse_name >>= (Pattern.Name >> preturn))) + + +type syn = + | Syn_new of ((string * (string * Process.dom_data) list) * bool) + | Syn_def of (string * Types.range * Pattern.t list * Process.t) + | Syn_val of (string * Value.t) + | Syn_proc of Process.t + +let rec to_syntax = function + | Syn_new (d, b) :: syns -> Syntax.New (d, b, syns |> to_syntax) + | Syn_def (n, r, vs, p) :: syns -> Syntax.Definition (n, r, vs, p, syns |> to_syntax) + | Syn_val (n, v) :: syns -> Syntax.Value (n, v, syns |> to_syntax) + | [Syn_proc p] -> Syntax.Process p + | [] -> Syntax.Process(Process.Parallel []) + | Syn_proc _ :: _ -> failwith "Multiple processes" + +let seq1 f = sepBy1 f spaces + +let rec parse_ds = + spaces >>. ( + [ "def" &> parse_name .>> spaces >>= + fun name -> ((parse_parameters +>>+ ("=" &> parse_proc) |~> fun pos (ps, p) -> Syn_def (name, to_range pos, ps, p)) + <|> + (("=" &> ((parse_value >>= fun x->preturn [x]) <|>parse_values) + |~> fun pos v -> Syn_val (name, match v with + | [x] -> x + | _ -> Value.Tuple (v, to_range pos) )))) + ; "new" &> restriction |>> fun r -> Syn_new (r, true) + ; "dom" &> int_name +>>+ ("=" &> record) |>> fun r -> Syn_new (r, false) + ; parse_proc +>> eof |>> Syn_proc + ] + |> choice + |> seq1 + |>> to_syntax) + +let rec parse_sg = + let provider = RulesDSD.Syntax.makeProvider () + let siteParser = Microsoft.Research.DNA.LogicDSD.psite Microsoft.Research.DNA.LogicDSD.engine provider true + let pRulesInitial = (between (kw "[") (kw "]") (RulesDSD.Parser.psystem siteParser)) + spaces >>. + paren (sepBy1 (Expression.parse (name) .>>. pRulesInitial) (kw "|")) .>> eof + +let speciesParser = parse_molecule true |~> to_species + +let plotParser = + // lift the species parser to plots parser + let speciesPlotParser = (speciesParser >>= (Syntax.t_plot_base.Molecule >> preturn)) + + // module parser + let moduleParser = name .>> spaces >>= fun n -> + choice [ kw "_" >>. preturn (Syntax.t_plot_base.Module (n, Syntax.plot_pat.All)) + ; paren (many Value.parse) >>= fun vs -> + preturn (Syntax.t_plot_base.Module (n, Syntax.plot_pat.Pats vs)) + ; preturn (Syntax.t_plot_base.String n) ] + + // a plot is an expression over either a species or a module + (speciesPlotParser <|> moduleParser) + +let dsdDirectivesParser = + //AP//let parseSettings = Microsoft.Research.CRNEngine.Directive.parse plotParser + //let parseSettings = Directive>.parse (Expression.parse plotParser) + //AP NB TODO: replace plot parser with species parser, to ensure that single variables are treated + //as species in the plot parser but as parameters in the rate parser. + let pplot = // parse a single species or an expression over species surrounded by sq. brackets + (Parser.pTry (plotParser |>> fun s -> Expression.Key (Key.Species s))) <|> + (Expression.parse (Key.parse plotParser)) + let parseSettings = Directive>>.parse + (Expression.parse (Key.parse plotParser)) + pplot + let crnDirective = parseSettings |>> Choice1Of2 + let optDirective = Options.parse_option |>> Choice2Of2 + InferenceSiteGraph.parseTask .>>. Parser.many (Parser.kw "directive" >>. ( optDirective <|> crnDirective )) + +//let updateSettings a b = Crn_settings.update_settings a b +let updateCfg (crns:Crn_settings<'s>, opts) x = + match x with + | Choice1Of2 dir -> (crns.from_directive dir, opts) + | Choice2Of2 opt -> (crns, List.fold Options.update_options opts opt) + +let dsdCfg (task,ds) = (task, List.fold updateCfg (Crn_settings.defaults, + Options.default_options) ds) + +let parse_settings = dsdDirectivesParser |>> dsdCfg +let parser = dsdDirectivesParser |>> dsdCfg >>= fun (task, (dirs, opts)) -> + match Options.get_rules_program opts with + | None -> preturn (task, dirs, opts) .>>. parse_ds .>> eof |>> fun ((a,b,c), e) -> ((a,b,c, None), e) + | Some rules -> preturn (task, dirs, opts, rules) .>>. parse_ds .>> eof |>> fun ((a,b,c,d), e) -> ((a,b,c, Some d), e) +let parse x = Parser.run (spaces >>. parser) x \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/File1.fs b/ClassicDSD/ClassicDSDDotNet/File1.fs new file mode 100644 index 0000000..997e938 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/File1.fs @@ -0,0 +1,2 @@ +module File1 + diff --git a/ClassicDSD/ClassicDSDDotNet/SLConversion.fs b/ClassicDSD/ClassicDSDDotNet/SLConversion.fs new file mode 100644 index 0000000..fe3ef1a --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/SLConversion.fs @@ -0,0 +1,898 @@ +[] +module Microsoft.Research.DNA.SLConversion + +open Parser +open Microsoft.Research.DNA.Syntax +open Microsoft.Research.CRNEngine + +(* +module DSDParser = Microsoft.Research.DNA.DSDParser +module E = Microsoft.Research.CRNEngine.Expression +module Options = Microsoft.Research.DNA.Options +type SpS<'a> when 'a:equality = Microsoft.Research.CRNEngine.Spatial_settings<'a> +type SiS<'a> when 'a:equality = Microsoft.Research.CRNEngine.Simulation_settings<'a> +type Prior = Microsoft.Research.CRNEngine.Prior +type Units = Microsoft.Research.CRNEngine.Units +type Time = Microsoft.Research.CRNEngine.Time +type Concentration = Microsoft.Research.CRNEngine.Concentration +type Parameter = Microsoft.Research.CRNEngine.Parameter +type Reaction<'a,'b,'c> when 'a:equality and 'b:equality and 'c:equality = Microsoft.Research.CRNEngine.Reaction<'a,'b,'c> +module InfSet = Microsoft.Research.CRNEngine.Inference_settings +module Value = Microsoft.Research.DNA.Value +module Process = Microsoft.Research.DNA.Process +*) + +(*************************************************************************************** + *** Old DSD language conversion routine. + *** Parses a program written in the SilverLight version of the DSD language and + *** translates it into Classic DSD syntax + ***************************************************************************************) + + +// utilities +let spFloat = pfloat .>> spaces +let spInt = pint32 .>> spaces +let spBool = choice [ kw "true" >>. preturn true + ; kw "false" >>. preturn false] .>> spaces +let spName = name .>> spaces + +let fpMsg = "Floating point conversion not supported" +let pOldVal sp = choice [ kw "float_of_int" >>= fun _ -> failwith fpMsg + ; kw "int_of_float" >>= fun _ -> failwith fpMsg + ; pTry (DSDParser.parse_name .>> spaces >>= fun x -> + (kw "(" >>. failParser "") <|> preturn x ) ] + |> Expression.parse <| sp +let pOldValue = pOldVal |~> DSDParser.map_value + +let rec pOldVals sp = DSDParser.tuple (pOldValue <|> (pOldVals |~> fun pos xs -> Value.Tuple (xs, (DSDParser.to_range pos)))) sp + + +let pOldValues sp = pOldVal |> DSDParser.tuple |~> DSDParser.map_values <| sp +// old molecules parsing +let flip (a, b) = (b, a) + +let pMolecule upperSep lowerSep = + let pSite = DSDParser.parse_site true DSDParser.parse_name + let pSites = Parser.many1 pSite + + let upper = bracket "<" ">" pSites + let lower = bracket "{" "}" pSites + let double = bracket "[" "]" pSites + + let overhangs = + choice + [ upper .>>. (lower <|> preturn []) + ; lower .>>. (upper <|> preturn []) >>= fun (b, a) -> preturn (a, b) + ; preturn ([], []) ] + + let pLeftHairpinOrOverhangs = + kw "<" >>. pSites >>= fun a -> + choice [ kw "}" >>. preturn (Choice1Of2 a) // left hairpin + ; kw ">" >>. preturn a .>>. (lower <|> preturn []) >>= (Choice2Of2 >> preturn)] + + let rightHairpinOrOverhangs (a, b) = + choice [ kw "{" >>. pSites >>= fun c -> + choice [ kw ">" >>. preturn (DSDParser.mk_hpr a b c) // right hairpin + ; kw "}" >>. preturn c .>>. (upper <|> preturn []) >>= (flip >> DSDParser.mk_m a b >> preturn) ] + ; upper .>>. (lower <|> preturn []) >>= (DSDParser.mk_m a b >> preturn) + ; preturn (DSDParser.mk_m a b ([], [])) + ] + + let pStr (a : DSDParser.site list * DSDParser.site list) = + match a with + | ([], []) -> failParser "a strand" + | ([], ls) -> preturn (DSDParser.StrandLower ls) + | (hs, []) -> preturn (DSDParser.StrandUpper hs) + | _ -> failParser "a strand" + let pSegment = + choice + [ pLeftHairpinOrOverhangs >>= fun a -> + choice [ double >>= fun b -> + match a with + | Choice1Of2 a' -> overhangs >>= (DSDParser.mk_hpl a' b >> DSDParser.Gate >> preturn) + | Choice2Of2 a' -> rightHairpinOrOverhangs (a', b) >>= (DSDParser.Gate >> preturn) + ; (match a with + | Choice2Of2 z -> pStr z + | _ -> failParser "a strand") ] + ; overhangs >>= fun a -> + choice [ double >>= fun b -> (a, b) |> rightHairpinOrOverhangs >>= (DSDParser.Gate >> preturn) + ; pStr a ] ] + + let pItem = pSegment |~> DSDParser.to_species + let pSeq = pItem .>>. many ((upperSep <|> lowerSep) .>>. pItem) + + let res = pSeq |~> fun pos (x, y) -> Microsoft.Research.DNA.Species.convert_raw_gate (x, y, DSDParser.to_range pos) + + res + +let parseOldMolecule = pMolecule (kw "::" >>. preturn true) (kw ":" >>. preturn false) + +let parseOldGroundSpecies = + choice + [ DSDParser.parse_name +>>+ pOldVals .>>. DSDParser.at_time |>> fun ((n, vs), t) -> Process.Instance(n,None,vs,t) + ; parseOldMolecule .>>. DSDParser.at_time >>= fun (v, t) -> + match v with + | Microsoft.Research.DNA.Species.STRAND s -> preturn (Process.Strand (s, t)) + | Microsoft.Research.DNA.Species.GATE s -> preturn (Process.Gate (s, t)) + | _ -> failParser "a gate or a strand" + ] + +let pOldSpecies = + choice + [ parseOldGroundSpecies |> DSDParser.sep_by_bars |> bracket "[[" "]]" .>>. DSDParser.at_time |>> Process.Origami + // NB: currently this allows timed species inside an origami, whereas the original parser does not + ; parseOldGroundSpecies ] + +let pReact pKey = Reaction.parse // parse a reaction... + pOldSpecies // ... with these species ... + (Expression.parse DSDParser.parse_name) // ... with these rate values... + (Expression.parse pKey) // ... in these rate expressions + (Expression.Float 1.0) // ... in these rate expressions + |~> (fun pos -> DSDParser.to_dsd_reaction pos >> Process.Chemical) + +let (&>) a b = DSDParser.(&>) a b + +let rec oldProc st = + let pKey = Microsoft.Research.CRNEngine.Key.parse pOldSpecies + [ "new" &> DSDParser.restriction +>>+ oldProc |>> Process.New + ; kw "rxn" >>. pReact pKey + ; pTry ("constant" &> pOldSpecies + |~> fun pos p -> Process.Repeat(Value.Int(1, DSDParser.to_range pos),true,p, None, None)) + ; pTry (DSDParser.before "constant" pOldValue +>>+ ((kw "*" <|> kw "of") >>. DSDParser.before "constant" pOldSpecies) + |~> fun pos ((c1,n), (c2,p)) -> Process.Repeat(n,c1||c2,p, None, None) + "species initialization" + ) + ; pTry (pOldSpecies) // "a species" + ; pTry (pReact pKey) + ; oldProc |> DSDParser.sep_by_bars |> paren |>> Process.Parallel + ] |> choice <| st + +let pValOrTuple = pOldValue <|> (pOldVals |~> fun pos vs -> (Value.Tuple (vs, (DSDParser.to_range pos)))) + +// parser.mly +type oldPlot = PloFloat of float + | PloName of string // FloatVarAExp or PopulationAExp? + | PloNameAt of string * float + | PloMolecule of species + | PloMoleculeAt of species * float + | PloModule of string * value list + | PloModuleAt of string * value list * float + | PloSum of oldPlot list + | PloSub of oldPlot * oldPlot + | PloDiff of oldPlot * oldPlot + | PloProd of oldPlot list + | PloDiv of oldPlot * oldPlot + +type oldSimMode = JIT + | SSA + | OSLO of bool (* is stiff? *) + | SPACIAL_PERIODIC of int32 + | SUNDIALS of bool (* is stiff? *) + | CME_OSLO_OR_SUNDIALS of bool (* is stiff? *) (* the parser is ambiguous on "cme" *) + | LNA_OSLO of bool (* is stiff? *) + +type SpParam = Burnin of int32 + | SpSamples of int32 + | Thin of int32 + | SeparateNoise of bool + | NoiseModel of int + | Prune of bool + +type CoreElem = CoreW of float + | CoreI of float + | CoreO of float + +type PointElem = PointX of float + | PointY of float + | PointW of float + | PointV of float + +type SpSetting = SpRandom1 of species * float + | SpRandom2 of float + | SpCentralCore of CoreElem list + | SpPointOfRecord of PointElem list + // Settings.add_spatialic [Expressions.PopulationAExp $4] [SettingsConstants.CentralCore {width=$3; inner=$5; outer=Some $6}] z + | BackwardComp of species * float * float * float option + +type SpBC = Periodic | ZeroFlux + + +type ParSpace = ParReal | ParLog +type ParVar = ParFixed | ParRandomized | ParInitVal +type ParItem = ParAssign of string * float * float * float + | ParItem of string * float * float * float * ParSpace * ParVar + +type SweepVar = SweepVar of string list * value list list + +type SweepItem = NamedSweep of string * SweepVar list + | UnnamedSweep of SweepVar + +type KMode = KContextual | KStochastic | KDeterministic + +type VerMode = Encoding of int32 + | Abstraction of int32 + | Enumeration of int32 + | PopBound of int32 + | DummyRxn of bool + | EnfInitial of bool + +type oldDirective = Samples of float option * float option * int32 option // start, end, points + | DurationPoints of float option * float option * int32 option // start, end, points + | Scale of float + | Plot of oldPlot list + | Simulation of oldSimMode + | RelTolerance of float + | Tolerance of float // maps to abstolerance in deterministic + | Seed of int32 + | OldEvent of Process.t + | SpecMax of species * int32 + | OldTime of Time + | Concentration of Concentration + | Dt of float + | XMax of float + | Nx of int32 + | Theta of float + | Spatialic of SpSetting + | Spatialbc of SpBC + | SpatialPlot of species + | Diffusion of species * float + | DefaultDiffusion of float + | Params of ParItem list + | Sweeps of SweepItem list + | Fit of string * string * oldPlot list + | FitRun of SpParam list + | PlotWindow of float * float * float * float + | Kinectics of KMode + | Verification of VerMode + | StabilityCorrection of float + | CoaxialDAngle of float + | DoubleCoaxialDAngle of float + | CoaxialCorrection of Options.prim + | Temperature of float + | TerminalDAngle of float + +// Tokens +let SAMPLE = kw "sample" +let ALL = kw "all" +let PLOT = kw "plot" +let POINTS = kw "points" +let DURATION = kw "duration" +let SCALE = kw "scale" +let SEED = kw "seed" +let SIMULATION = kw "simulation" +let DETERMINISTICSTIFF = kw "deterministicstiff" +let RELTOLERANCE = kw "reltolerance" +let TOLERANCE = kw "tolerance" <|> kw "abstolerance" +let EVENT = kw "event" +let SPECMAX = kw "specmax" +let TIME = kw "time" +let CONCENTRATION = kw "concentration" +let DT = kw "dt" +let XMAX = kw "xmax" +let NX = kw "nx" +let THETA = kw "theta" +let COAXIALDANGLE = kw "coaxialDangle" +let DOUBLECOAXIALDANGLE = kw "doubleCoaxialDangle" +let COAXIALCORRECTION = kw "coaxialCorrection" +let TEMPERATURE = kw "temperature" +let TERMINALDANGLE = kw "terminalDangle" +let SPATIALIC = kw "spatialic" +let SPATIALBC = kw "spatialbc" +let SPATIALPLOT = kw "spatialplot" +//let COMPILATION = kw "compilation" +let DECLARE = kw "declare" +let DEFAULTDIFFUSION = kw "defaultdiffusion" +let DIFFUSION = kw "diffusion" +let LEAKS = kw "leaks" +let PINLEAK = kw "pinleak" +let PINLEAKS = kw "pinleaks" +let LENGTHS = kw "lengths" +let MIGRATE = kw "migrate" +let LOCALCONCENTRATIONS = kw "localconcentrations" +let POLYMERS = kw "polymers" +let SEQUENCERATES = kw "sequenceRates" +let STABILITYCORRECTION = kw "stabilityCorrection" +let TAU = kw "tau" +let TOEHOLDS = kw "toeholds" +let UNPRODUCTIVE = kw "unproductive" +let VERIFICATION = kw "verification" +let FIT = kw "fit" +let FITRUN = kw "fit_run" +let KINETICS = kw "kinetics" +let PARAMETERS = kw "parameters" +let PLOTWINDOW = kw "plotwindow" +let PREDICATES = kw "predicates" +let SWEEP = kw "sweep" + +let COMMA = kw "," +let SEMI = kw ";" +let AT = kw "@" +let UNDERSCORE = kw "_" +let SUM = kw "sum" +let SUB = kw "sub" +let DIFF = kw "diff" +let PROD = kw "prod" +let DIV = kw "div" +let EQUAL = kw "=" +let DLBRACKET = kw "[[" +let DRBRACKET = kw "]]" +let BAR = kw "|" + +(* each function below parses a specific "directive" string *) +// samples directive +let dirSamples = + SAMPLE >>. Expression.parse spFloat >>= fun x -> + choice [ COMMA >>. spFloat >>= fun y -> + choice [ ALL >>. preturn (Some (Expression.eval id x), Some y, Some 0) + ; spInt >>= fun z -> preturn (Some (Expression.eval id x), Some y, Some z) + ; preturn (Some (Expression.eval id x), Some y, None) ] + ; ALL >>. preturn (None, Some (Expression.eval id x), Some 0) + ; spInt >>= fun y -> preturn (None, Some (Expression.eval id x), Some y) + ; preturn (None, Some (Expression.eval id x), None) ] + >>= (Samples >> preturn) // wraps the result inside Samples + +// duration directive +let dirDuration = + DURATION >>. spFloat >>= fun x -> + choice [ COMMA >>. spFloat >>= fun y -> + choice [ POINTS >>. + choice [ ALL >>. preturn (Some x, Some y, Some 0) + ; spInt >>= fun z -> preturn (Some x, Some y, Some z) ] + ; preturn (Some x, Some y, None) ] + ; POINTS >>. choice [ ALL >>. preturn (None, Some x, Some 0) + ; spInt >>= fun y -> preturn (None, Some x, Some y) ] + ; preturn (None, Some x, None) ] + >>= (DurationPoints >> preturn ) + +// seed directive +let dirSeed = SEED >>. spInt >>= (Seed >> preturn) + +// old molecule parser +let pMol = parseOldMolecule + // TODO: double check that "--(cogs)" | "--(+ cogs)" | "--(cogs+)" is not used anymore + +// plots +// TODO check empty plot "()" is parsed correctly with many or sepBy, double check that many1 or sepBy1 is not misused +let rec pPlot sp = + let underscoreVal pos = [Value.Tuple ([Value.Variable ("_", pos)], pos)] + choice [ spFloat >>= (PloFloat >> preturn) + ; SUM >>. paren (many1 pPlot) >>= (PloSum >> preturn) + ; SUB >>. paren (pPlot .>> SEMI .>>. pPlot) >>= (PloSub >> preturn) + ; DIFF >>. paren (pPlot .>> SEMI .>>. pPlot) >>= (PloDiff >> preturn) + ; PROD >>. paren (many1 pPlot) >>= (PloProd >> preturn) + ; DIV >>. paren (pPlot .>> SEMI .>>. pPlot) >>= (PloDiv >> preturn) + ; pMol >>= fun m -> + choice [ AT >>. paren spFloat >>= fun x -> preturn (PloMoleculeAt (m, x)) + ; preturn (PloMolecule m) ] + ; spName >>= fun n -> + choice [ AT >>. paren spFloat >>= fun x -> preturn (PloNameAt (n, x)) + ; UNDERSCORE >>. + choice [ AT >>. paren spFloat |~> fun pos x -> PloModuleAt (n, underscoreVal (DSDParser.to_range pos), x) + ; preturn () |~> fun pos _ -> PloModule (n, underscoreVal (DSDParser.to_range pos))] + ; paren (many Value.parse) >>= fun vs -> + choice [ AT >>. paren spFloat >>= fun x -> preturn (PloModuleAt (n,vs,x)) + ; preturn (PloModule (n,vs))] + ; preturn (PloName n) ] // FloatVarAExp + ] sp + + +// plots directive +let pPlots sp = sepBy1 pPlot SEMI sp +let dirPlot = PLOT >>. pPlots >>= (Plot >> preturn) + + +let curry f (a, b) = f a b +//let valZero = Value.Float(0.0,Microsoft.Research.DNA.Types.emprange) + +let pOrigami = + let pInsides = sepBy1 pMol BAR // >>= fun ms -> preturn (Process.Origami (List.map (Process.from_species valZero) ms, valZero)) + DLBRACKET >>. pInsides .>> DRBRACKET >>= fun ms -> + preturn (fun t -> Process.Origami (List.map (Process.from_species None) ms, t)) + +let pEvent = choice [ pOrigami + ; pMol >>= fun x -> preturn (fun t -> Process.from_species t x) + ; name .>>. paren (sepBy pOldValue COMMA) >>= + fun (n, vs) -> preturn (fun t -> Process.Instance(n, None, vs, t)) ] + +let dirEvents = EVENT >>. pEvent .>>. pOldValue .>> AT .>>. pOldValue + >>= (fun ((ev, amount), time) -> let procInstance = Process.Repeat(amount, false, ev (Some time), None, None) + preturn (OldEvent procInstance)) + +let dirSpecMax = SPECMAX >>. DSDParser.speciesParser .>>. spInt >>= (SpecMax >> preturn) +let dirTime = + let s = Time.Seconds 1.0 + let m = Time.Seconds 6.0 + let h = Time.Seconds 3.6 + let d = Time.Seconds 8.64 + let ret = OldTime >> preturn + TIME >>. choice [ kw "seconds" >>. ret s + ; kw "s" >>. ret s + ; kw "minutes" >>. ret m + ; kw "m" >>. ret m + ; kw "hours" >>. ret h + ; kw "h" >>. ret h + ; kw "days" >>. ret d + ; kw "d" >>. ret d ] + +let dirConcentration = + let m = Concentration.Molar 0 + let mM = Concentration.Molar -3 + let uM = Concentration.Molar -6 + let nM = Concentration.Molar -9 + let pM = Concentration.Molar -12 + let fM = Concentration.Molar -15 + let aM = Concentration.Molar -18 + let zM = Concentration.Molar -21 + let yM = Concentration.Molar -24 + let ret = Concentration >> preturn + CONCENTRATION >>. choice [ kw "molar" >>. ret m + ; kw "M" >>. ret m + ; kw "milimolar" >>. ret mM + ; kw "mM" >>. ret mM + ; kw "millimolar" >>. ret mM + ; kw "micromolar" >>. ret uM + ; kw "uM" >>. ret uM + ; kw "nanomolar" >>. ret nM + ; kw "nM" >>. ret nM + ; kw "picomolar" >>. ret pM + ; kw "pM" >>. ret pM + ; kw "femtomolar" >>. ret fM + ; kw "fM" >>. ret fM + ; kw "attomolar" >>. ret aM + ; kw "aM" >>. ret aM + ; kw "zeptomolar" >>. ret zM + ; kw "zM" >>. ret zM + ; kw "yoctomolar" >>. ret yM + ; kw "yM" >>. ret yM ] +let dirRelativeTolerance = RELTOLERANCE >>. spFloat >>= (RelTolerance >> preturn) +let dirTolerance = TOLERANCE >>. spFloat >>= (Tolerance >> preturn) +let dirScale = SCALE >>. spFloat >>= (Scale >> preturn) + +// simulation +let dirSimulation = + SIMULATION >>. choice [ kw "jit" >>. preturn (Simulation JIT) + ; kw "stochastic" >>. preturn (Simulation SSA) + ; kw "deterministicstiff" >>. preturn (Simulation (OSLO true)) + ; kw "deterministic" >>. preturn (Simulation (OSLO false)) + ; kw "spatial1d" >>. preturn (Simulation (SPACIAL_PERIODIC 1)) + ; kw "spatial2d" >>. preturn (Simulation (SPACIAL_PERIODIC 2)) + ; kw "sundials" >>. preturn (Simulation (SUNDIALS false)) + ; kw "sundialsstiff" >>. preturn (Simulation (SUNDIALS true)) + ; kw "cme" >>. preturn (Simulation (CME_OSLO_OR_SUNDIALS false)) + ; kw "cmestiff" >>. preturn (Simulation (CME_OSLO_OR_SUNDIALS true)) + ; kw "lna" >>. preturn (Simulation (LNA_OSLO false)) + ; kw "lnastiff" >>. preturn (Simulation (LNA_OSLO true)) ] + +let dirDT = DT >>. spFloat >>= (Dt >> preturn) +let dirXMax = XMAX >>. spFloat >>= (XMax >> preturn) +let dirNX = NX >>. spInt >>= (Nx >> preturn) +let dirTheta = THETA >>. spFloat >>= (Theta >> preturn) + +// spatial directives +let coreElem sp = choice [ kw "width" >>. spFloat >>= (CoreW >> preturn) + ; kw "inner" >>. spFloat >>= (CoreI >> preturn) + ; kw "outer" >>. spFloat >>= (CoreO >> preturn) + ; kw "species" >>. failwith "species not supported in Spatial settings, Core" ] sp +let coreRecord = sepBy coreElem SEMI + +let pointElem sp = choice [ kw "x" >>. spFloat >>= (PointX >> preturn) + ; kw "y" >>. spFloat >>= (PointY >> preturn) + ; kw "width" >>. spFloat >>= (PointW >> preturn) + ; kw "value" >>. spFloat >>= (PointV >> preturn) + ; kw "species" >>. failwith "species not supported in Spatial settings, Point"] sp +let pointRecord = sepBy pointElem SEMI + +let speciesParser st = DSDParser.speciesParser st + +let dirSpatialic = + SPATIALIC >>. + choice [ kw "random" >>. choice + [ speciesParser .>>. spFloat >>= (SpRandom1 >> Spatialic >> preturn) + ; spFloat >>= (SpRandom2 >> Spatialic >> preturn) ] + ; kw "centralcore" >>. + choice [ spFloat .>>. speciesParser .>>. spFloat .>>. spFloat + >>= (fun (((x,mol), y), z) -> preturn (Spatialic (BackwardComp (mol, x, y, Some z))) ) + ; coreRecord >>= (SpCentralCore >> Spatialic >> preturn)] + ; kw "point" >>. pointRecord >>= (SpPointOfRecord >> Spatialic >> preturn)] + + +let dirSpatialbc = SPATIALBC >>. choice [ kw "periodic" >>. preturn (Spatialbc Periodic) + ; kw "zeroflux" >>. preturn (Spatialbc ZeroFlux)] +let dirSpatialPlot = SPATIALPLOT >>. speciesParser >>= (SpatialPlot >> preturn) + +let dirDiffusion = DIFFUSION >>. speciesParser .>>. spFloat >>= (Diffusion >> preturn) +let dirDefaultDiffusion = DEFAULTDIFFUSION >>. spFloat >>= (DefaultDiffusion >> preturn) + +// parameters +let paramP = + let f n x y z pType = choice + [ kw "fixedvar" >>. preturn (ParItem (n, x, y, z, pType, ParFixed)) + ; kw "fixed" >>. preturn (ParItem (n, x, y, z, pType, ParFixed)) + ; kw "randomized" >>. preturn (ParItem (n, x, y, z, pType, ParRandomized)) + ; kw "random" >>. preturn (ParItem (n, x, y, z, pType, ParRandomized)) + ; kw "init" >>. preturn (ParItem (n, x, y, z, pType, ParInitVal)) + ; kw "initval" >>. preturn (ParItem (n, x, y, z, pType, ParInitVal)) ] + spName >>= fun n -> + choice [ EQUAL >>. spFloat >>= fun f -> preturn (ParAssign (n, f, f, f)) + ; COMMA >>. paren (spFloat .>> COMMA .>>. spFloat) .>> COMMA .>>. spFloat .>> COMMA + >>= fun ((x,y), z) -> + choice [ kw "realspace" >>. COMMA >>. f n x y z ParReal + ; kw "real" >>. COMMA >>. f n x y z ParReal + ; kw "log" >>. COMMA >>. f n x y z ParLog + ; kw "logspace" >>. COMMA >>. f n x y z ParLog ] ] + +let dirParameters = PARAMETERS >>. sqBrackets (sepBy1 paramP SEMI) >>= (Params >> preturn) + +// sweeps +let namesList = sepBy1 name COMMA + +let valList1 = sepBy1 pOldValue COMMA +let valList = sepBy2 pOldValue COMMA +let valListP = paren valList +let valTuples = sepBy1 valListP COMMA + +let varSweep = choice [ paren namesList .>> EQUAL .>>. sqBrackets valTuples >>= (SweepVar >> preturn) + ; spName .>> EQUAL .>>. sqBrackets valList1 >>= fun (n, xs) -> + preturn (SweepVar ([n], List.map (fun x -> [x]) xs)) ] +let combSweep = sepBy1 varSweep COMMA + +let dirSweep = + SWEEP >>. + choice [ paren namesList .>> EQUAL .>>. sqBrackets valTuples >>= + (SweepVar >> UnnamedSweep >> (fun x -> [x]) >> Sweeps >> preturn) + ; spName .>> EQUAL >>= fun n -> + choice [ braces combSweep >>= (fun x -> preturn (Sweeps [NamedSweep (n, x)])) + ; sqBrackets valList1 >>= (fun x -> preturn (Sweeps [UnnamedSweep (SweepVar ([n], List.map (fun y -> [y]) x))])) ] ] + +// fit +let dirFit = + FIT >>. + braces + (spName .>> SEMI .>>. spName .>> SEMI >>= fun (n1, n2) -> + choice [ sqBrackets pPlots >>= fun ps -> preturn (Fit (n1, n2, ps)) + ; pPlot >>= fun p -> preturn (Fit (n1, n2, [p])) ] + ) + +// fit run +let fitElem = + choice [ kw "burnin" >>. EQUAL >>. spInt >>= (Burnin >> preturn) + ; kw "samples" >>. EQUAL >>. spInt >>= (SpSamples >> preturn) + ; kw "thin" >>. EQUAL >>. spInt >>= (Thin >> preturn) // TODO: default = findintdef "thin" 10 t + ; kw "separatenoise" >>. EQUAL >>. spBool >>= (SeparateNoise >> preturn) // TODO: default = findbooldef true t + ; kw "noisemodel" >>. EQUAL >>. spInt >>= (NoiseModel >> preturn) // TODO: Constant t + ; kw "prune" >>. EQUAL >>. spBool >>= (Prune >> preturn) // TODO: default true t } + ] +let fitRecord = braces (sepBy1 fitElem SEMI) +let dirFitRun sp = (FITRUN >>. fitRecord >>= (FitRun >> preturn)) sp + +// plot window, kinectics +let dirPlotWindow = PLOTWINDOW >>. spFloat .>>. spFloat .>>. spFloat .>>. spFloat >>= + fun (((tmin, tmax), ymin), ymax) -> preturn (PlotWindow (tmin, tmax, ymin, ymax)) +let dirKinectics = KINETICS >>. choice [ kw "contextual" >>. preturn (Kinectics KContextual) + ; kw "stochastic" >>. preturn (Kinectics KStochastic) + ; kw "deterministic" >>. preturn (Kinectics KDeterministic) ] + +// verification +let dirVerification = + VERIFICATION >>. + choice + [ kw "encoding" + >>. choice [kw "integer" >>. preturn (Verification (Encoding 0)) + ; kw "bitvector" >>. preturn (Verification (Encoding 1)) ] + ; kw "abstraction" + >>. choice [ kw "default" >>. preturn (Verification (Abstraction 0)) + ; kw "stutter" >>. preturn (Verification (Abstraction 1)) + ; kw "connected" >>. preturn (Verification (Abstraction 2)) + ; kw "boolean" >>. preturn (Verification (Abstraction 3)) ] + ; kw "enumeration" + >>. choice [ kw "first" >>. preturn (Verification (Enumeration -1)) + ; kw "full" >>. preturn (Verification (Enumeration -2)) + ; kw "limit" >>. spInt >>= fun x -> + if x < 0 then failParser ("Positive enumeration limit required, but found " + x.ToString()) + else preturn (Verification (Enumeration x)) ] + ; kw "population_bound" >>. spInt >>= (PopBound >> Verification >> preturn) + ; kw "null_reaction" >>. spBool >>= (DummyRxn >> Verification >> preturn) + ; kw "enforce_initial" >>. spBool >>= (EnfInitial >> Verification >> preturn) + ] + +let dirStabilityCorrection = STABILITYCORRECTION >>. spFloat >>= (StabilityCorrection >> preturn) +let dirCoaxialDAngle = COAXIALDANGLE >>. spFloat >>= (CoaxialDAngle >> preturn) +let dirDoubleCoaxialDangle = DOUBLECOAXIALDANGLE >>. spFloat >>= (DoubleCoaxialDAngle >> preturn) +let dirCoaxialCorrection = COAXIALCORRECTION >>. Value.parse >>= (Value.to_engineValue >> CoaxialCorrection >> preturn) +let dirTemperature = TEMPERATURE >>. spFloat >>= (Temperature >> preturn) +let dirTerminalDAngle = TERMINALDANGLE >>. spFloat >>= (TerminalDAngle >> preturn) + + +let pOldDirectives = [ dirCoaxialCorrection + ; dirCoaxialDAngle + ; dirConcentration + ; dirDT + ; dirDefaultDiffusion + ; dirDiffusion + ; dirDoubleCoaxialDangle + ; dirDuration + ; dirEvents + ; dirFitRun + ; dirFit + ; dirKinectics + ; dirNX + ; dirParameters + ; dirPlot + ; dirPlotWindow + ; dirRelativeTolerance + ; dirSamples + ; dirScale + ; dirSeed + ; dirSimulation + ; dirSpatialbc + ; dirSpatialic + ; dirSpatialPlot + ; dirSpecMax + ; dirStabilityCorrection + ; dirSweep + ; dirTemperature + ; dirTerminalDAngle + ; dirTheta + ; dirTime + ; dirTolerance + ; dirVerification + ; dirXMax ] + +let fromOpt m x = match m with + | None -> x + | Some y -> y + + +let rec oldToCrnPlot : oldPlot -> Expression.t = fun p -> + match p with + | PloFloat f -> Expression.Float f + | PloName n -> Expression.Key (t_plot_base.String n) + | PloNameAt (n, _) -> Expression.Key (t_plot_base.String n) + | PloMolecule m -> Expression.Key (t_plot_base.Molecule m) + | PloMoleculeAt (m, _) -> Expression.Key (t_plot_base.Molecule m) + | PloModule (n, mods) -> let pattern = match mods with + | [Value.Tuple ([Value.Variable ("_", _)], _)] -> plot_pat.All + | _ -> plot_pat.Pats mods + Expression.Key (t_plot_base.Module (n, pattern)) + | PloModuleAt (n, mods, _) -> Expression.Key (t_plot_base.Module (n, plot_pat.Pats mods)) + | PloSum ps -> Expression.Plus (List.map oldToCrnPlot ps) + | PloSub (p1, p2) -> Expression.Minus {sub1 = oldToCrnPlot p1; sub2 = oldToCrnPlot p2} + | PloDiff (p1, p2) -> Expression.Absolute (oldToCrnPlot (PloSub (p1, p2))) + | PloProd ps -> Expression.Times (List.map oldToCrnPlot ps) + | PloDiv (p1, p2) -> Expression.Divide {div1 = oldToCrnPlot p1; div2 = oldToCrnPlot p2} + +let oldToCrnParam param = + match param with + | ParAssign (n, f1, f2, f3) -> + let prior : Prior = + { interval = Interval.Real + ; variation = Variation.Fixed + ; distribution = Distribution.Uniform {min = f1; max = f2} } + Parameter.create(n, f3 , Some prior) + + | ParItem (n, f1, f2, f3, parSpace, parVar) -> + let pr : Prior = { interval = match parSpace with + | ParReal -> Interval.Real + | ParLog -> Interval.Log + ; variation = match parVar with + | ParFixed -> Variation.Fixed + | ParRandomized -> Variation.Random + | ParInitVal -> Variation.Initial2 + ; distribution = Distribution.Uniform {min = f1; max = f2}} + Parameter.create(n, f3 , Some pr) + + +let oldToCrnSweepVar (SweepVar (names, values)) = + Microsoft.Research.CRNEngine.Assignment.create(names, List.map (fun vs -> List.map Value.to_engineValue vs) values) + + +let oldToCrnSweep sidGen (sweep:SweepItem) = + match sweep with + | UnnamedSweep sweep -> let newName = sidGen () + Microsoft.Research.CRNEngine.Sweep.create(newName, [oldToCrnSweepVar sweep]) + | NamedSweep (n, sweeps) -> let asns = List.map oldToCrnSweepVar sweeps + Microsoft.Research.CRNEngine.Sweep.create(n, asns) + +type event_data = Choice +let c1 (x : Microsoft.Research.CRNEngine.Crn_settings>) + = Choice1Of3 x +let c2 (y : Options.t) = Choice2Of3 y +let c3 (p : Process.t) = Choice3Of3 p + +let updateWithOldDirectives (sidGen : unit -> string) oldDir (s: Microsoft.Research.CRNEngine.Crn_settings> + , o: Options.t) = + match oldDir with + | Samples (startOpt, endOpt, pointsOpt) + | DurationPoints (startOpt, endOpt, pointsOpt) -> + c1 {s with simulation = { s.simulation with points = fromOpt pointsOpt s.simulation.points + ; initial = fromOpt startOpt s.simulation.initial + ; final = fromOpt endOpt s.simulation.final } } + | Scale f -> c1 {s with stochastic = { s.stochastic with scale = f }} + | Plot ps -> c1 {s with simulation = { s.simulation with plots = List.map oldToCrnPlot ps @ s.simulation.plots}} + | Simulation smode -> + match smode with + | JIT -> c2 (Options.set_is_jit true o) + | SSA + | OSLO _ + | SPACIAL_PERIODIC _ + | SUNDIALS _ + | CME_OSLO_OR_SUNDIALS _ + | LNA_OSLO _ -> + c1 {s with simulator = + match smode with + | JIT -> Microsoft.Research.CRNEngine.SSA + | SSA -> Microsoft.Research.CRNEngine.SSA + | OSLO _ -> Microsoft.Research.CRNEngine.Oslo + | SPACIAL_PERIODIC _ -> Microsoft.Research.CRNEngine.PDE + | SUNDIALS _ -> Microsoft.Research.CRNEngine.Sundials + | CME_OSLO_OR_SUNDIALS _ -> Microsoft.Research.CRNEngine.CME + | LNA_OSLO _ -> Microsoft.Research.CRNEngine.LNA + ; deterministic = { + s.deterministic with + stiff = match smode with + | OSLO isStiff -> isStiff + | LNA_OSLO isStiff -> isStiff + | SUNDIALS isStiff -> isStiff + | CME_OSLO_OR_SUNDIALS isStiff -> isStiff + | SPACIAL_PERIODIC _ -> false + | SSA -> false + | JIT -> false + } + ; simulation = s.simulation + }// TODO: add dimensions to spatial settings + | RelTolerance f -> c1 { s with deterministic = { s.deterministic with reltolerance = f }} + | Tolerance f -> c1 { s with deterministic = { s.deterministic with abstolerance = f }} + | Seed i -> c1 { s with simulation = { s.simulation with seed = Some i}} + | OldEvent p -> c3 p + | SpecMax _ -> failwith "specMax not supported" + | OldTime _ -> c1 s + | Concentration _ -> c1 s + | Dt f -> c1 { s with spatial = { s.spatial with dt = f }} + | XMax f -> c1 { s with spatial = { s.spatial with xmax = f }} + | Nx i -> c1 { s with spatial = { s.spatial with nx = i }} + | Theta _ -> failwith "theta directive not supported in the spatial simulator" + | Spatialic _ -> failwith "spatial initial concentration not supported" +// c1 +// { s with +// spatial = +// { s.spatial with +// initial = match sicSetting with +// | SpRandom1 (m, f) -> failwith "random core with molecule not supported" +// | SpRandom2 f -> SpS.initial.Random f +// | SpCentralCore cs -> failwith "random core with molecule not supported" +// | SpPointOfRecord ps -> failwith "random core with molecule not supported" +// | BackwardComp (a, b, c, d) -> failwith "random core with molecule not supported" +// } } + | Spatialbc sbcSetting -> + c1 { s with + spatial = { s.spatial with + boundary = match sbcSetting with + | Periodic -> Boundary.Periodic + | ZeroFlux -> Boundary.ZeroFlux + } } + | SpatialPlot mol -> c1 { s with simulation = { s.simulation with plots = (oldToCrnPlot (PloMolecule mol)) :: s.simulation.plots } } + | Diffusion _ -> failwith "directive \"diffusion\" not supported" + | DefaultDiffusion _ -> failwith "directive \"default diffusion\" not supported" + | Params ps -> c1 { s with parameters = List.map oldToCrnParam ps } + | Sweeps ss -> c1 { s with sweeps = List.map (oldToCrnSweep sidGen) ss } + | Fit _(*(n1, n2, ps)*) -> failwith "directive \"fit\" not supported " + | FitRun ps -> + let updateSpSet (inf:Inference_settings) spParam = + match spParam with + | Burnin i -> { inf with burnin = i} + | SpSamples i -> { inf with samples = i} + | Thin i -> { inf with thin = i } + | SeparateNoise b -> { inf with noise_parameter = if b then Noise_parameter.Multiple else Noise_parameter.Random} + | NoiseModel i -> { inf with noise_model = match i with + | 0 -> Noise_model.Constant + | 1 -> Noise_model.Proportional + | _ -> failwith "Unrecognised noise model. Use linear or proportional." } + | Prune b -> { inf with prune = b} + c1 { s with inference = List.fold updateSpSet s.inference ps } + | PlotWindow _ -> failwith "plot window not supported" + | Kinectics kmode -> + c1 { s with simulation = { s.simulation with kinetics = + match kmode with + | KContextual -> Kinetics.Contextual + | KStochastic -> Kinetics.Stochastic + | KDeterministic -> Kinetics.Deterministic + } } + | Verification _ -> failwith "directive \"verification\" not supported" + | StabilityCorrection f -> c2 ( Options.setStabilityCorrection f o ) + | CoaxialDAngle f -> c2 ( Options.setCoaxialDangle f o ) + | DoubleCoaxialDAngle f -> c2 ( Options.setDoubleCoaxialDangle f o ) + | CoaxialCorrection v -> c2 ( Options.setCoaxialCorrection v o ) // TODO: in parser.mly, v can also be UNDERSCORE + | Temperature f -> c2 ( Options.setTemperature o f ) + | TerminalDAngle f -> c2 ( Options.setTerminalDangleFactor o f ) + +(**************************************************) + +let oldDirective = + choice (List.map (fun odp -> odp >>= (Choice1Of2 >> preturn)) pOldDirectives + @ (List.map (fun op -> op >>= (Choice2Of2 >> preturn)) Options.optionParsers)) + + +let oldDsParser evs = + choice + [ "def" &> DSDParser.parse_name .>> spaces >>= fun name -> + (("=" &> pValOrTuple ) >>= fun v -> preturn (DSDParser.Syn_val (name, v))) + <|> + (DSDParser.parse_parameters +>>+ ("=" &> oldProc) + |~> fun pos (ps, p) -> DSDParser.Syn_def (name, DSDParser.to_range pos, ps, p)) + ; "new" &> DSDParser.restriction |>> fun r -> DSDParser.Syn_new (r, true) + ; "dom" &> DSDParser.int_name +>>+ ("=" &> DSDParser.record) |>> fun r -> DSDParser.Syn_new (r, false) + ; kw "predicate" >>= (fun x -> failwith ("\""+ x + "\" keyword not supported")) + ; kw "query" >>= (fun x -> failwith ("\""+ x + "\" keyword not supported")) + ; oldProc >>= fun ps -> match ps, evs with + | _, [] -> preturn (DSDParser.Syn_proc ps) + | Process.Parallel pars, evs -> preturn (DSDParser.Syn_proc (Process.Parallel (pars @ evs))) + | _, _ -> preturn (DSDParser.Syn_proc (Process.Parallel (ps :: evs))) + ] + |> DSDParser.seq1 + |>> DSDParser.to_syntax + +let parserOld (sidGen: unit -> string) : Parser.t< Microsoft.Research.DNA.Syntax.t + * Microsoft.Research.CRNEngine.Crn_settings> + * Options.t> = + spaces >>. many (kw "directive" >>. oldDirective) >>= + (fun oldSettings -> + let updateDefs (cs, opts, es) ch = + match ch with + | Choice1Of2 oldDir -> + match updateWithOldDirectives sidGen oldDir (cs, opts) with + | Choice1Of3 cs' -> (cs', opts, es) + | Choice2Of3 opts' -> (cs, opts', es) + | Choice3Of3 e -> (cs, opts, e::es) + | Choice2Of2 o -> (cs, List.fold Options.update_options opts o, es) + let (settings, opts, evs) = List.fold updateDefs (Microsoft.Research.CRNEngine.Crn_settings.defaults, Options.default_options, []) oldSettings + oldDsParser evs >>= ( + fun dsd -> + preturn (dsd, settings, opts) + )) .>> spaces + +let freshSweepIdGenerator () = + let sweep_id = ref 0 + let new_sweep_name () = + let id = !sweep_id + 1 in + sweep_id := id + "sweep_" + id.ToString() // the hard-coded "sweep_" is from the old DNA solution + new_sweep_name + +let parseOld _ = + let sidGen = freshSweepIdGenerator () + Parser.run (parserOld sidGen) + +(* converts a DSD program written in the Silver Light syntax to Classic DSD syntax *) +let convertSL slCode : string = + // create a fresh sweep_id generator + let sidGen = freshSweepIdGenerator () + + // parse code in the old syntax + let (z, cs, opts) = match Parser.run (parserOld sidGen) slCode with + | Parser.Success ((z, cs, opts), _, _) -> (z, cs, opts) + | Parser.Failure (msg, _, _) -> raise (System.Exception msg) + + let plotPrinter (x:Syntax.t_plot_base) :string = + match x with + | Syntax.t_plot_base.String s -> s + | Syntax.t_plot_base.Molecule m -> "[" + Species.display m + "]" + | Syntax.t_plot_base.Module (n, pats) -> + "[" + n + match pats with + | Syntax.plot_pat.All -> " _]" + | Syntax.plot_pat.Pats ps -> "(" + String.concat ", " (List.map Value.to_string ps) + ")]" // + " " +")" + let plotAlonePrinter (x:Syntax.t_plot_base) :string = + match x with + | Syntax.t_plot_base.String s -> s + | Syntax.t_plot_base.Molecule m -> Species.display m + | Syntax.t_plot_base.Module (n, pats) -> + n + match pats with + | Syntax.plot_pat.All -> " _" + | Syntax.plot_pat.Pats ps -> "(" + String.concat ", " (List.map Value.to_string ps) + ")" // + " " +")" + let dsdSettings = cs.to_string + (Expression.to_string plotPrinter) + (fun e -> match e with + | Expression.Key x -> plotAlonePrinter x + | _ -> e |> Expression.to_string plotPrinter) + let dsdOptions = Options.display opts + let dsdSyntax = Syntax.display z + dsdSettings + dsdOptions + dsdSyntax \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/app.config b/ClassicDSD/ClassicDSDDotNet/app.config new file mode 100644 index 0000000..2bc077c --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/app.config @@ -0,0 +1,13 @@ + + + + + + + + + True + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/branchesrenderer.fs b/ClassicDSD/ClassicDSDDotNet/branchesrenderer.fs new file mode 100644 index 0000000..6dd8508 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/branchesrenderer.fs @@ -0,0 +1,1779 @@ +[] +module Microsoft.Research.DNA.BranchesRenderer + +open System +open Microsoft.Research.CRNEngine +open Microsoft.Research.CRNEngine.Svg +open Microsoft.Research.DNA +open Microsoft.Research.DNA.Options +open Microsoft.Research.DNA.LogicDSD + +// Abstract representation suitable for rendering algorithms based on a double-stranded branching tree structure. Note that this does not use DSD species, so that it can also be used for RulesDSD. + +// Some configuration flags follow. + +/// If true, bulges are rendered as lines, rather than curves. +let bulge_lines = false +/// If true, shows key anchors for debugging purposes. +let debug_anchors = false + +/// Type that represents a domain instance. Note that the color does not appear here, because it is part of the style. +type DDomain = { + name: string; + nucleotides: Sequence.t; + toehold: bool; + complemented: bool; + tether: string option; + pseudoknot: int option; +} with + member this.GetComplemented() = { this with complemented = not this.complemented; nucleotides = Sequence.complement this.nucleotides |> List.rev } + override this.ToString() = this.name + (if this.toehold then "^" else "") + (if this.complemented then "*" else "") + (match this.pseudoknot with Some s -> "!"+s.ToString() | None -> "") +end + +/// The type of a strand. +type DStrandKind = TopStrand | BottomStrand | DoubleStrand | LeftHairpinStrand | RightHairpinStrand + +/// Type that represents a strand, i.e. a sequence of domains. +type DStrand = { + kind: DStrandKind; + domains: DDomain list; +} with + override this.ToString() = let rec add s domains = match domains with [] -> s | dom::rest -> add (s+" "+dom.ToString()) rest in add "" this.domains +let empty_dstrand={kind=DoubleStrand;domains=[]} + +/// The type of connection between two segments (forming a gate). The double link (not available in ClassicDSD) implies that any overhangs on that side become bulges. +type DSegmentConnection = TopLink | BottomLink | DoubleLink +let conn_to_string conn = match conn with | None -> " " | Some TopLink -> "-" | Some BottomLink -> "_" | Some DoubleLink -> "=" + +/// Type that represents a segment, i.e. a double strand that may or may not have overhangs and/or a hairpin. If the segment is part of a gate, and is not the last segment of the gate, then it also indicates the type of connection it has to the next segment in the gate. +type DSegment = { + top_left: DStrand option; + top_right: DStrand option; + bottom_left: DStrand option; + bottom_right: DStrand option; + double_strand: DStrand; + hairpin_left: DStrand option; + hairpin_right: DStrand option; + connection: DSegmentConnection option; +} with + override this.ToString() = + let tl = match this.top_left with None -> None | Some s -> "tl:"+s.ToString() |> Some + let tr = match this.top_right with None -> None | Some s -> "tr:"+s.ToString() |> Some + let bl = match this.bottom_left with None -> None | Some s -> "bl:"+s.ToString() |> Some + let br = match this.bottom_right with None -> None | Some s -> "br:"+s.ToString() |> Some + let hl = match this.hairpin_left with None -> None | Some s -> "hl:"+s.ToString() |> Some + let hr = match this.hairpin_right with None -> None | Some s -> "hr:"+s.ToString() |> Some + let ds = "ds:"+this.double_strand.ToString() |> Some + String.Join(";",List.choose (fun x->x) [ds;hl;tl;bl;tr;br;hr])+(conn_to_string this.connection) +end +let empty_dsegment = {top_left=None;top_right=None;bottom_left=None;bottom_right=None;double_strand=empty_dstrand;hairpin_left=None;hairpin_right=None;connection=None} + +///Type that represents a gate. It's just a list of segments. The types of the connections between segments are declared within the segment type. +type DGate = { + left_connection: DSegmentConnection option; + segments: DSegment list; +} with + override this.ToString() = + (conn_to_string this.left_connection)+(String.Join("",this.segments |> (fun seg -> seg.ToString()))) +end + +/// Type that represents a branch. In this representation, the species is tree-like, which means that the branching structure is directed. Therefore, a gate can have children gates. This is represented in this type. +type DBranch = { + gate: DGate; + children: DBranch list; +} + +/// Union type of objects that may be parts of an origami. In this representation, species that are not origami can be either a single strand, or a branch. If it is a branch, it may be as simple as a single gate with a single segment with just a double strand of a single domain - but it's still considered a branch object. +type DOrigamiElement = Strand of DStrand | Branch of DBranch + +/// Type that represents an origami. It's just a list of origami elements. +type DOrigami = DOrigamiElement list + + +// "Branches" SVG renderer. The rendering algorithm works by creating a "box" for each DSegment (or isolated DStrand). Each box has anchor points which are used to align it with the boxes representing adjacent segments. The composition of these boxes results in a container box, representing a DGate and having its own anchor points. In order to render a DBranch, the DGate box is positioned horizontally, while other DBranches are rendered recursively and then positioned at an appropriate angle and connected to the DGate box. DOrigamis are rendered as stacked objects. + +/// The style for a branch join. +let branch_join_style = "stroke-dasharray:4" +/// The style for a short branch join. +let short_branch_join_style = "" +/// The length below which a branch join is considered to be short (uses a different style). +let short_branch_join = 16.0 +/// The distance between the baseline and the top or bottom strands. +let half_separation = 4.0 +/// The assumed font size; note that this is actually reported in the style. +let font_size = 15.0 +/// The distance between the strand and the domain labels. +let label_sep = 11.0 +/// The distance between the strand and the domain labels, if rotate_labels is true (which causes the Svg layer not to apply normalisation, which changes the baseline). +let label_sep_rotated = 7.0 +/// Additional vertical offset for labels. +let label_baseline = 5.0 +/// Additional vertical offset for labels, in nucleotide mode (different font). +let label_baseline_nucleotides = 4.0 +/// Standard width of a character for the purpose of determining domain name length. +let letter_width = 8.0 +/// Letter width multiplier for nucleotides in a hairpin. +let nucleotide_hairpin_factor = 1.4 +/// Width of a character for the name of a pseudoknot domain (bold). +let pseudoknot_letter_width = 9.0 +/// Extra padding length for domains. +let domain_pad = letter_width * 4.0 +/// Extra padding length for domains on an arc. +let arc_domain_pad = letter_width * 2.0 +/// The angle formed by an arrow terminator. +let arrow_angle = Math.PI / 6.0 +/// The length of an arrowhead. +let arrow_length = 15.0 +/// The thickness of the strand. +let line_width = 2.5 +/// Extra strand length drawn, for the purpose of joining domains at angles. +let margin = 0.5 +/// The length of the connection extension between strands. +let extension_length = 8.0 +/// The angle for overhangs. +let overhang_angle = 45.0 +/// This CSS class will be added to all elements of the picture, and can then be used for styling. +let base_class = "svgdsd" +let sanitize_id (id:string) = id.Replace("_","__").Replace('\'','_') +/// The CSS id for a given domain. +let dom_id d = "dom_"+(sanitize_id d.name) +/// The extra distance from the midpoint for bulges. +let bulge_sep = 16.0 +/// The extra length for an overhang that crosses. +let strut_len = letter_width * 5.0 +///The distance between species in an origami. +let species_skip = 10.0 +///The margin around species in an origami. +let origami_sep = { Svg.x = 16.0; Svg.y = 16.0 } +///The size of the origami box corners. +let origami_round = 32.0 + +let make_label_text (nucleotides:bool) (d:DDomain) = + match d.tether with + | Some s -> s + | _ -> + let text = if nucleotides then Sequence.string_of_sequence d.nucleotides else d.name + let text = if d.complemented && not nucleotides then (text+"*") else text + let text = text + match d.pseudoknot with Some s -> "!"+s.ToString() | None -> "" + text + +/// This function produces the CSS class for the given domain. +let get_domain_class (nucleotides:bool) (d:DDomain) = + let domain_class = base_class + let domain_class = if nucleotides then (domain_class + " fixedwidth") else domain_class + let domain_class = if d.toehold then (domain_class + " " + dom_id d) else domain_class + let domain_class = if d.pseudoknot.IsSome then domain_class + " pseudoknot" else domain_class + domain_class + +/// Produces a Svg.path object for a single-strand linear domain (not a hairpin). This function needs to be provided with additional context. The length_function provides a method to get the desired length of the domain, any left extension, and any right extension. The voffset and hoffset are the vertical and horizontal offsets respectively. The upper_label flag indicates whether the label needs to be positioned above the path (if false, it gets positioned below the path). The left_arrow flag indicates that an arrow needs to be drawn on the left end; the right_arrow flag indicates that an arrow needs to be drawn on the right end. This function returns one or two path objects (in case of tethers), plus the rightmost x coordinate of the domain (which can be used as the horizontal offset for the next domain in a sequence). +let ddomain_to_path (mode:renderer_mode) (rotate_labels:bool) (length_function:DDomain->(float*float*float)) (voffset:float) (hoffset:float) (upper_label:bool) (left_arrow:bool) (right_arrow:bool) (d:DDomain) : Svg.path list * float = + let nucleotides = mode = renderer_mode.Nucleotides + let label_baseline = if nucleotides then label_baseline_nucleotides else label_baseline + let make_label_text = make_label_text nucleotides + let get_domain_class = get_domain_class nucleotides + // Determine the CSS class. + let domain_class = get_domain_class d + // Determine the domain length (based on the text, +1 for the complemented marker). + let (domain_length,left_extension,right_extension) = length_function d + let total_domain_length = domain_length+left_extension+right_extension + // Create the SVG path commands. May start with a left arrow or not. + let commands = if left_arrow then [MoveTo{x=hoffset-margin+Math.Cos(arrow_angle)*arrow_length;y=voffset+Math.Sin(arrow_angle)*arrow_length};LineTo{x=hoffset;y=voffset}] else [MoveTo{x=hoffset-margin;y=voffset}] + // Draw the line. + let commands = commands@[LineTo{x=hoffset+total_domain_length+margin;y=voffset}] + // May end with a right arrow or not. + let commands = if right_arrow then commands@[LineTo{x=hoffset+total_domain_length+margin-Math.Cos(arrow_angle)*arrow_length;y=voffset-Math.Sin(arrow_angle)*arrow_length}] else commands + // Determine where to locate the label. Horizontally it'll be in the middle; vertically, it may be above or below. + let rotated_baseline = (not nucleotides && rotate_labels) || (nucleotides&¬ upper_label) + let label_sep = if rotated_baseline then label_sep_rotated else label_sep + let label_anchor = + { // Horizontally, it will be in the middle. In nucleotides mode, I have to ignore the extension length, because I want the nucleotides to be aligned. + x = if nucleotides then + hoffset + (domain_length/2.0) + left_extension + else + hoffset + (total_domain_length/2.0) + // Verticall + y = if nucleotides then + voffset + if upper_label then label_sep else -label_baseline - label_sep + else + voffset + (if rotated_baseline then 0.0 else label_baseline) + (if upper_label then -label_sep else label_sep) + } + // Determine the label text. This is the domain name, with the complement marker. + let label_text = make_label_text d + // Create the label object. + let label = { label_text = label_text + label_anchor = label_anchor + label_class = Some domain_class + letter_width = if d.pseudoknot.IsSome then pseudoknot_letter_width else letter_width + label_dir = Svg.translate_point_by {x=(if (nucleotides&&upper_label)||(not nucleotides&&(upper_label||not rotate_labels)) then 10.0 else -10.0);y=0.0} label_anchor } |> Some + let main_path = { path_class = Some domain_class + commands = commands + path_label = label } + if d.tether.IsSome then + let tether_p = {x=hoffset+total_domain_length/2.0;y=voffset} + let tether_path= { Svg.path_class = base_class + " tether-pin" |> Some + ; Svg.commands = [ Svg.MoveTo (tether_p |> Svg.translate_point_by { x = 0.0; y = 3.0}) + ; Svg.ArcTo ( tether_p |> Svg.translate_point_by { x = 0.0; y = -3.0} + , { rx = 3.0; ry = 3.0; large_flag = true; sweep_flag = false; angle = 0.0 }) + ; Svg.ArcTo ( tether_p |> Svg.translate_point_by { x = 0.0; y = 3.0} + , { rx = 3.0; ry = 3.0; large_flag = true; sweep_flag = false; angle = 0.0 }) ] + ; Svg.path_label = None } in + // Return the path objects, plus the horizontal offset for the next domain in the sequence. + [main_path;tether_path], hoffset + total_domain_length + else + // Return the path object, plus the horizontal offset for the next domain in the sequence. + [main_path], hoffset + total_domain_length + +/// Produces a Svg.path object for a single-strand arc domain (a hairpin domain or a bulge). The center is on the origin. These domains never have extensions or arrows. This function returns one or two path objects (in case of tethers), plus the final coordinate for the arc (which can be used as the starting point for the next domain in a sequence). The side flags controls the sweep flag of the arc (on which side the arc is drawn). +let ddomain_to_arc (mode:renderer_mode) (rotate_labels:bool) (radius:float) (start_point:Svg.point) (angle:float) (d:DDomain) (side:bool) : Svg.path list * Svg.point = + let nucleotides = mode = renderer_mode.Nucleotides + let label_baseline = if nucleotides then label_baseline_nucleotides else label_baseline + let make_label_text = make_label_text nucleotides + let get_domain_class = get_domain_class nucleotides + // Determine the CSS class. + let domain_class = get_domain_class d + // Determine the end point. Remember that in the context of trigonometric functions the Y-axis points upwards, while in the context of SVG rendering, the Y axis points downwards. + let start_angle = Math.Asin(-start_point.y/radius); + let start_angle = if start_point.x < 0.0 then Math.PI - start_angle else start_angle + // Arc domains are always rendered clockwise, so "angle" here should be negative. + let end_angle = start_angle+angle; + let end_point = {x=radius*Math.Cos(end_angle);y= -radius*Math.Sin(end_angle)} + // Create the Svg.arc object, which contains the SVG parameters for the arc. + let arc = { rx = radius + ry = radius + large_flag = angle > Math.PI || angle < -Math.PI + sweep_flag = side + angle = 0.0 } + // Determine the label text. This is the domain name, with the complement marker. + let label_text = make_label_text d + let paths = + if nucleotides then + // The angular length of the domain pad. + let angular_pad = arc_domain_pad / radius / 2.0 + // The angular length that can be used for each nucleotide. + let nucleotide_angle = (if angle > 0.0 then angle - 2.0 * angular_pad else angle + 2.0 * angular_pad) / float label_text.Length + let end_angle = end_angle - angular_pad - (nucleotide_angle / 2.0) + let make_letter i n = + let label_dist = radius - label_sep + let label_angle = end_angle - nucleotide_angle * float i + let label_anchor = {x=label_dist*Math.Cos(label_angle);y= -label_dist*Math.Sin(label_angle)} + let label_dir = Svg.translate_point_by {x=10.0*Math.Cos(label_angle-Math.PI/2.0);y= -10.0*Math.Sin(label_angle-Math.PI/2.0)} label_anchor + let label = { label_text = string n + label_anchor = label_anchor + label_class = Some domain_class + letter_width = letter_width + label_dir = label_dir } + { path_class = None + commands = [] + path_label = Some label } + let letter_paths = Seq.mapi make_letter label_text |> Seq.toList + { path_class = Some domain_class + commands = [MoveTo start_point;ArcTo(end_point,arc)] + path_label = None }::letter_paths + else + // Determine placement for the label. It should appear at an angular position in the middle of the arc, at a distance from the arc. + let label_sep = if rotate_labels then label_sep_rotated else label_sep + let label_angle = start_angle+angle/2.0 + let label_dist = radius+label_sep + let (label_anchor,label_dir) = + if rotate_labels then + let label_anchor = {x=label_dist*Math.Cos(label_angle);y= -label_dist*Math.Sin(label_angle)} + let label_dir = {x=(label_dist+10.0)*Math.Cos(label_angle);y= -(label_dist+10.0)*Math.Sin(label_angle)} + let label_dir = Svg.rotate_point_around label_anchor 90.0 label_dir + (label_anchor,label_dir) + else + let label_xoffset = letter_width * float (label_text.Length-1) / 2.0 + let label_xoffset = if Math.Cos(label_angle) > 0.0 then label_xoffset else -label_xoffset + let label_xoffset = if Math.Abs(label_dist*Math.Sin(label_angle)) > radius+(label_sep/2.0) then 0.0 else label_xoffset + let label_anchor = {x=label_dist*Math.Cos(label_angle)+label_xoffset;y= -label_dist*Math.Sin(label_angle)+label_baseline} + let label_dir = Svg.translate_point_by {x=10.0;y=0.0} label_anchor + (label_anchor,label_dir) + // Create the label object. + let label = { label_text = label_text + label_anchor = label_anchor + label_class = Some domain_class + letter_width = if d.pseudoknot.IsSome then pseudoknot_letter_width else letter_width + label_dir = label_dir } + [{ path_class = Some domain_class + commands = [MoveTo start_point;ArcTo(end_point,arc)] + path_label = Some label }] + if d.tether.IsSome then + let tether_angle = (start_angle+end_angle)/2.0 + let tether_point = {x=radius*Math.Cos(tether_angle);y= -radius*Math.Sin(tether_angle)} + let tether_path= { Svg.path_class = base_class + " tether-pin" |> Some + ; Svg.commands = [ Svg.MoveTo (tether_point |> Svg.translate_point_by { x = 0.0; y = 3.0}) + ; Svg.ArcTo ( tether_point |> Svg.translate_point_by { x = 0.0; y = -3.0} + , { rx = 3.0; ry = 3.0; large_flag = true; sweep_flag = false; angle = 0.0 }) + ; Svg.ArcTo ( tether_point |> Svg.translate_point_by { x = 0.0; y = 3.0} + , { rx = 3.0; ry = 3.0; large_flag = true; sweep_flag = false; angle = 0.0 }) ] + ; Svg.path_label = None } in + // Return the path objects, plus the horizontal offset for the next domain in the sequence. + tether_path::paths, end_point + else + // Return the path object, plus the end point (which is the start point for the next domain in the sequence). + paths, end_point + +/// Renders a DStrand to the intermediate Svg representation. This function needs to be provided with some additional context. The left_connection parameter indicates whether this strand is used to connect to another segment on the left, and the type of connection. The right_connection parameter indicates whether this strand is used to connect to another segment on the right, and the type of connection. The no_left_arrow flag indicates that the strand should never have a left arrow, even if it is a bottom or double strand (e.g. because it's a double with a bottom left overhang, or a bottom right overhang). The no_right_arrow flag indicates that the strand should never have a right arrow, even if it is a top or double strand (e.g. because it's a double with a top right overhang, or a top left overhang). +let dstrand_to_group (mode:renderer_mode) (rotate_labels:bool) (left_connection:DSegmentConnection option) (left_strut:bool) (right_connection:DSegmentConnection option) (right_strut:bool) (no_left_arrow:bool) (no_right_arrow:bool) (strand:DStrand) : Svg.group = + let nucleotides = mode = renderer_mode.Nucleotides + let make_label_text = make_label_text nucleotides + let ddomain_to_path = ddomain_to_path mode rotate_labels + let ddomain_to_arc = ddomain_to_arc mode rotate_labels + let half_separation = if nucleotides then half_separation + label_sep else half_separation + // Render the strand. The exact algorithm depends on the strand kind. + match strand.kind with + | TopStrand -> + // Top strand: render as a straight sequence. The last domain has an arrow. + let top_domain (o:float) (i:int,d:DDomain) = + let left_extension = if (i=0 && left_connection=Some TopLink) then extension_length else 0.0 + let left_extension = left_extension + if (i=0&&left_strut) then strut_len else 0.0 + let right_extension = if (i=strand.domains.Length-1 && right_connection= Some TopLink) then extension_length else 0.0 + let right_extension = right_extension + if (i=strand.domains.Length-1&&right_strut) then strut_len else 0.0 + let domain_length d = (make_label_text d |> String.length |> float) * letter_width + domain_pad , left_extension , right_extension + let left_arrow = false + let right_arrow = (i=strand.domains.Length-1 && not no_right_arrow) + ddomain_to_path domain_length 0.0 o true left_arrow right_arrow d + let (paths,length) = List.mapi (fun i d -> i,d) strand.domains |> List.mapFold top_domain 0.0 + let paths = List.concat paths + { name = "TopStrand "+strand.ToString() + content = Paths paths + // This group only has top anchors. + anchors = [{anchor_id="tl";anchor_point={x=0.0;y=0.0}} + {anchor_id="tr";anchor_point={x=length;y=0.0}}] + debug_anchors = false + sub_groups = [] + offset = None } + | BottomStrand -> + // Bottom strand: render as a straight sequence. The first domain has an arrow. + let bottom_domain (o:float) (i:int,d:DDomain) = + let left_extension = if (i=0 && left_connection=Some BottomLink) then extension_length else 0.0 + let left_extension = left_extension + if (i=0&&left_strut) then strut_len else 0.0 + let right_extension = if (i=strand.domains.Length-1 && right_connection=Some BottomLink) then extension_length else 0.0 + let right_extension = right_extension + if (i=strand.domains.Length-1&&right_strut) then strut_len else 0.0 + let domain_length d = (make_label_text d |> String.length |> float) * letter_width + domain_pad , left_extension , right_extension + let left_arrow = (i=0 && not no_left_arrow) + let right_arrow = false + ddomain_to_path domain_length 0.0 o false left_arrow right_arrow d + let (paths,length) = List.mapi (fun i d -> i,d) strand.domains |> List.mapFold bottom_domain 0.0 + let paths = List.concat paths + { name = "BottomStrand "+strand.ToString() + content = Paths paths + // This group only has bottom anchors. + anchors = [{anchor_id="bl";anchor_point={x=0.0;y=0.0}} + {anchor_id="br";anchor_point={x=length;y=0.0}}] + debug_anchors = false + sub_groups = [] + offset = None } + | DoubleStrand -> + // Double strand: render as two straight sequences. The top sequence is rendered as a top single strand and the bottom sequence is rendered as a bottom single strand; the only exception is that a vertical offset is added to implement strand separation. + let thoffset = if left_connection=Some BottomLink then extension_length else 0.0 + let bhoffset = if left_connection=Some TopLink then extension_length else 0.0 + let top_domain (hoffset:float) (i:int,d:DDomain) = + let left_extension = if (i=0 && left_connection=Some TopLink) then extension_length else 0.0 + let right_extension = if (i=strand.domains.Length-1 && right_connection= Some TopLink) then extension_length else 0.0 + let domain_length d = (make_label_text {d with complemented=true} |> String.length |> float) * letter_width + domain_pad , left_extension , right_extension + let left_arrow = false + let right_arrow = (i=strand.domains.Length-1 && not no_right_arrow) + ddomain_to_path domain_length -half_separation hoffset true left_arrow right_arrow d + let bottom_domain (hoffset:float) (i:int,d:DDomain) = + let left_extension = if (i=0 && left_connection=Some BottomLink) then extension_length else 0.0 + let right_extension = if (i=strand.domains.Length-1 && right_connection=Some BottomLink) then extension_length else 0.0 + let domain_length d = (make_label_text {d with complemented=true} |> String.length |> float) * letter_width + domain_pad , left_extension , right_extension + let left_arrow = (i=0 && not no_left_arrow) + let right_arrow = false + ddomain_to_path domain_length half_separation hoffset false left_arrow right_arrow (d.GetComplemented()) + let (tpaths,tlength) = List.mapi (fun i d -> i,d) strand.domains |> List.mapFold top_domain thoffset + let (bpaths,blength) = List.mapi (fun i d -> i,d) strand.domains |> List.mapFold bottom_domain bhoffset + let paths = List.concat (tpaths@bpaths) + // I now have two path lists, one for top and one for bottom; I will concatenate them within the resulting group. + { name = "DoubleStrand "+strand.ToString() + content = Paths paths + // This group has top and bottom anchors. + anchors = [{anchor_id="tl";anchor_point={x=thoffset;y= -half_separation}} + {anchor_id="tr";anchor_point={x=tlength;y= -half_separation}} + {anchor_id="bl";anchor_point={x=bhoffset;y=half_separation}} + {anchor_id="br";anchor_point={x=blength;y=half_separation}}] + debug_anchors = false + sub_groups = [] + offset = None } + | LeftHairpinStrand -> + match strand.domains with + | [] -> + // Degenerate hairpin: render as an arc with the same diameter as the strand separation. + let arc = { rx = half_separation + ry = half_separation + large_flag = false + sweep_flag = false + angle = 0.0 } + let start_point = {x=0.0;y=half_separation} + let mid_point = {x= -half_separation;y=0.0} + let end_point = {x=0.0;y= -half_separation} + let path1 = { path_class = Some base_class + commands = [MoveTo start_point;ArcTo(mid_point,arc)] + path_label = None } + let path2 = { path_class = Some base_class + commands = [MoveTo mid_point;ArcTo(end_point,arc)] + path_label = None } + { name = "LeftHairpin "+strand.ToString() + content = Paths [path1;path2] + anchors = [{anchor_id="tr";anchor_point=end_point} + {anchor_id="br";anchor_point=start_point}] + debug_anchors = false + sub_groups = [] + offset = None } + | domains -> + // Left hairpin: render as a sequence of arcs. A hairpin never has arrows or extensions. The arc will be centered on the origin, and sweep clockwise. + let arc_length = + if nucleotides then + List.fold (fun i d -> i + (float d.nucleotides.Length) * letter_width * nucleotide_hairpin_factor + arc_domain_pad) arc_domain_pad domains + else + float (max 2 domains.Length) * letter_width * 3.0 + let radius = arc_length / Math.PI / 2.0 + // Calculate the start and end of the arc, both as coordinates and as angles. Remember that in the context of trigonometric functions the Y-axis points upwards, while in the context of SVG rendering, the Y axis points downwards. + // I'm tweaking the position based on the line width, in order to display a better connection. Note that I'll have to undo this when generating the anchor points. + let sep = half_separation-line_width/2.0 + let start_angle = -Math.Asin(-sep/radius) + let end_angle = 2.0*Math.PI - Math.Asin(sep/radius) + let start_point = {x=radius*Math.Cos(start_angle);y= -sep} + let end_point = {x=radius*Math.Cos(end_angle);y= sep} + let paths = + if nucleotides then + let available_angle = end_angle-start_angle + let available_length = available_angle * radius + let arc_domain (start_point:Svg.point) (d:DDomain) : Svg.path list*Svg.point = + let domain_angle = ((float d.nucleotides.Length) * letter_width * nucleotide_hairpin_factor + arc_domain_pad) * available_length / arc_length / radius + ddomain_to_arc radius start_point domain_angle d false + List.mapFold arc_domain start_point domains |> fst |> List.concat + else + let domain_angle = (end_angle-start_angle) / float domains.Length; + let arc_domain (start_point:Svg.point) (d:DDomain) : Svg.path list*Svg.point = ddomain_to_arc radius start_point domain_angle d false + List.mapFold arc_domain start_point domains |> fst |> List.concat + { name = "LeftHairpin "+strand.ToString() + content = Paths paths + // This group has top and bottom anchors, to the right only. + anchors = [{anchor_id="tr";anchor_point={end_point with y= -half_separation}} + {anchor_id="br";anchor_point={start_point with y=half_separation}}] + debug_anchors = false + sub_groups = [] + offset = None } + | RightHairpinStrand -> + match strand.domains with + | [] -> + // Degenerate hairpin: render as an arc with the same diameter as the strand separation. + let arc = { rx = half_separation + ry = half_separation + large_flag = false + sweep_flag = false + angle = 0.0 } + let start_point = {x=0.0;y= -half_separation} + let mid_point = {x= half_separation;y=0.0} + let end_point = {x=0.0;y=half_separation} + let path1 = { path_class = Some base_class + commands = [MoveTo start_point;ArcTo(mid_point,arc)] + path_label = None } + let path2 = { path_class = Some base_class + commands = [MoveTo mid_point;ArcTo(end_point,arc)] + path_label = None } + { name = "RightHairpin "+strand.ToString() + content = Paths [path1;path2] + anchors = [{anchor_id="tl";anchor_point=start_point} + {anchor_id="bl";anchor_point=end_point}] + debug_anchors = false + sub_groups = [] + offset = None } + | domains -> + // Right hairpin: render as a sequence of arcs. A hairpin never has arrows or extensions. The arc will be centered on the origin, and sweep clockwise. + let arc_length = + if nucleotides then + List.fold (fun i d -> i + (float d.nucleotides.Length) * letter_width * nucleotide_hairpin_factor + arc_domain_pad) 0.0 domains + else + float (max 2 domains.Length) * letter_width * 3.0 + let radius = arc_length / Math.PI / 2.0 + // Calculate the start and end of the arc, both as coordinates and as angles. Remember that in the context of trigonometric functions the Y-axis points upwards, while in the context of SVG rendering, the Y axis points downwards. + // I'm tweaking the position based on the line width, in order to display a better connection. Note that I'll have to undo this when generating the anchor points. + let sep = half_separation-line_width/2.0 + let start_angle = -Math.PI + Math.Asin(sep/radius) + let end_angle = Math.PI + Math.Asin(-sep/radius) + let start_point = {x=radius*Math.Cos(start_angle);y= sep} + let end_point = {x=radius*Math.Cos(end_angle);y= -sep} + let paths = + if nucleotides then + let available_angle = end_angle-start_angle + let available_length = available_angle * radius + let arc_domain (start_point:Svg.point) (d:DDomain) : Svg.path list*Svg.point = + let domain_angle = ((float d.nucleotides.Length) * letter_width * nucleotide_hairpin_factor + arc_domain_pad) * available_length / arc_length / radius + ddomain_to_arc radius start_point domain_angle d false + List.mapFold arc_domain start_point domains |> fst |> List.concat + else + let domain_angle = (end_angle-start_angle) / float domains.Length; + let arc_domain (start_point:Svg.point) (d:DDomain) : Svg.path list*Svg.point = ddomain_to_arc radius start_point domain_angle d false + List.mapFold arc_domain start_point domains |> fst |> List.concat + { name = "RightHairpin "+strand.ToString() + content = Paths paths + // This group has top and bottom anchors, to the right only. + anchors = [{anchor_id="tl";anchor_point={end_point with y= -half_separation}} + {anchor_id="bl";anchor_point={start_point with y=half_separation}}] + debug_anchors = false + sub_groups = [] + offset = None } + +/// Renders a bulge to the intermediate Svg representation, as a double linear sequence of domains with a much wider separation than double strands. Bulges never have arrows. The *_extension parameters are the adjacent double-stranded domains, which will be used to draw an extended line in the case of bulges that only have one side. +let bulge_to_group_lines (mode:renderer_mode) (rotate_labels:bool) (top:DDomain list) (top_extension:DDomain) (bottom:DDomain list) (bottom_extension:DDomain) : Svg.group = + let ddomain_to_path = ddomain_to_path mode rotate_labels + // The total length of the top and bottom strands needs to be equal. I will calculate the length of the longest strand, and scale the length of the domains in the shorter strand accordingly. + let domain_length d = (float (d.name.Length + if d.complemented then 1 else 0)) * letter_width + domain_pad + let min_top_length = List.sumBy domain_length top + let min_bottom_length = List.sumBy domain_length bottom + let length = max min_top_length min_bottom_length + let top_domain_length d = (domain_length d) * length / min_top_length, 0.0, 0.0 + let bottom_domain_length d = (domain_length d) * length / min_bottom_length, 0.0, 0.0 + let top_junctions = + match top with + | [] -> + let top_Path = { path_class = Some (base_class+" "+dom_id top_extension) + commands = [MoveTo{x=0.0;y= -half_separation};LineTo{x=bulge_sep;y= -half_separation-bulge_sep};LineTo{x=bulge_sep+length;y= -half_separation-bulge_sep};LineTo{x=bulge_sep+bulge_sep+length;y= -half_separation}] + path_label = None } + [top_Path] + | _ -> + // Each side of the bulge starts with an angled connector, then proceeds with the strand, then terminates with another angled connector. + let top_left = { path_class = Some (base_class+" "+dom_id top.Head) + commands = [MoveTo{x=0.0;y= -half_separation};LineTo{x=bulge_sep;y= -half_separation-bulge_sep}] + path_label = None } + let top_right = { path_class = Some (base_class+" "+dom_id (List.rev top).Head) + commands = [MoveTo{x=bulge_sep+length;y= -half_separation-bulge_sep};LineTo{x=bulge_sep+bulge_sep+length;y= -half_separation}] + path_label = None } + [top_left;top_right] + let bottom_junctions = + match bottom with + | [] -> + let bottom_path = { path_class = Some (base_class+" "+dom_id bottom_extension) + commands = [MoveTo{x=0.0;y=half_separation};LineTo{x=bulge_sep;y=half_separation+bulge_sep};LineTo{x=bulge_sep+length;y=half_separation+bulge_sep};LineTo{x=bulge_sep+bulge_sep+length;y=half_separation}] + path_label = None } + [bottom_path] + | _ -> + let bottom_left = { path_class = Some (base_class+" "+dom_id bottom.Head) + commands = [MoveTo{x=0.0;y=half_separation};LineTo{x=bulge_sep;y=half_separation+bulge_sep}] + path_label = None } + let bottom_right = { path_class = Some (base_class+" "+dom_id (List.rev bottom).Head) + commands = [MoveTo{x=bulge_sep+length;y=half_separation+bulge_sep};LineTo{x=bulge_sep+bulge_sep+length;y=half_separation}] + path_label = None } + [bottom_left;bottom_right] + // Top strand: render as a straight sequence. + let top_domain (o:float) (d:DDomain) = ddomain_to_path top_domain_length (-half_separation-bulge_sep) o true false false d + let top_domain_paths = List.mapFold top_domain bulge_sep top |> fst |> List.concat + // Bottom strand: render as a straight sequence. + let bottom_domain (o:float) (d:DDomain) = ddomain_to_path bottom_domain_length (half_separation+bulge_sep) o false false false d + let bottom_domain_paths = List.mapFold bottom_domain bulge_sep bottom |> fst |> List.concat + { name = "Bulge" + content = Paths (top_junctions@bottom_junctions@top_domain_paths@bottom_domain_paths) + anchors = [{anchor_id="bl";anchor_point={x=0.0;y=half_separation}} + {anchor_id="tl";anchor_point={x=0.0;y= -half_separation}} + {anchor_id="tr";anchor_point={x=length+bulge_sep+bulge_sep;y= -half_separation}} + {anchor_id="br";anchor_point={x=length+bulge_sep+bulge_sep;y=half_separation}}] + debug_anchors = false + sub_groups = [] + offset = None } + +/// Renders a bulge to the intermediate Svg representation, as two semicircles. Bulges never have arrows. The *_extension parameters are the adjacent double-stranded domains, which will be used to draw an extended line in the case of bulges that only have one side. +let bulge_to_group_arcs (mode:renderer_mode) (rotate_labels:bool) (top:DDomain list) (top_extension:DDomain) (bottom:DDomain list) (bottom_extension:DDomain) : Svg.group = + let ddomain_to_arc = ddomain_to_arc mode rotate_labels + // The total length of the top and bottom strands needs to be equal. I will calculate the length of the longest strand, and scale the length of the domains in the shorter strand accordingly. + let radius = float (max 2 (max top.Length bottom.Length)) * letter_width * 3.0 / Math.PI + let start_angle = Math.PI - Math.Asin(half_separation/radius); + let end_angle = Math.Asin(half_separation/radius); + let top_angle = (end_angle-start_angle) / float top.Length + let bottom_angle = (end_angle-start_angle) / float bottom.Length + let top_domain_paths = + match top with + | [] -> + [{ path_class = Some (base_class+" "+dom_id top_extension) + commands = [MoveTo {x= -radius;y= -half_separation};LineTo{x= radius;y= -half_separation}] + path_label = None }] + | _ -> let top_domain (start_point:Svg.point) (d:DDomain) : Svg.path list*Svg.point = ddomain_to_arc radius start_point top_angle d true + List.mapFold top_domain {x= -radius;y= -half_separation} top |> fst |> List.concat + let bottom_domain_paths = + match bottom with + | [] -> + [{ path_class = Some (base_class+" "+dom_id bottom_extension) + commands = [MoveTo {x= -radius;y= half_separation};LineTo{x= radius;y= half_separation}] + path_label = None }] + | _ -> let bottom_domain (start_point:Svg.point) (d:DDomain) : Svg.path list*Svg.point = ddomain_to_arc radius start_point bottom_angle d true + List.mapFold bottom_domain {x= radius;y=half_separation} (List.rev bottom) |> fst |> List.concat + { name = "Bulge" + content = Paths (top_domain_paths@bottom_domain_paths) + anchors = [{anchor_id="bl";anchor_point={x= -radius;y=half_separation}} + {anchor_id="tl";anchor_point={x= -radius;y= -half_separation}} + {anchor_id="tr";anchor_point={x=radius;y= -half_separation}} + {anchor_id="br";anchor_point={x=radius;y=half_separation}}] + debug_anchors = false + sub_groups = [] + offset = None } + +/// Renders a DSegment to the intermediate SVG representation. This function requires additional context, in the form of the previous and next segments (which may be empty), in order to correctly draw connections. +let dsegment_to_group (mode:renderer_mode) (rotate_labels:bool) (prev:DSegment) (segment:DSegment) (next:DSegment) : Svg.group = + let dstrand_to_group = dstrand_to_group mode rotate_labels + let prev_empty = prev.double_strand.domains=[] + let next_empty = next.double_strand.domains=[] + let left_connection = prev.connection + let right_connection = segment.connection + // Render the double strand (always present). Note that I need to determine whether an extension is needed to connect to adjacent segments. + let ds = dstrand_to_group + (if segment.top_left.IsSome && left_connection = Some TopLink then None else if segment.bottom_left.IsSome && left_connection = Some BottomLink then None else left_connection) false + (if segment.top_right.IsSome && right_connection = Some TopLink then None else if segment.bottom_right.IsSome && right_connection = Some BottomLink then None else right_connection) false + (segment.bottom_left.IsSome || segment.hairpin_left.IsSome || left_connection = Some BottomLink || left_connection = Some DoubleLink) + (segment.top_right.IsSome || segment.hairpin_right.IsSome || right_connection = Some TopLink || right_connection = Some DoubleLink) + segment.double_strand + /// This function is a shortcut for Svg.attach_group_to; it's used to position a rendered overhang correctly with respect to the double strand. Note that, for the purpose of attaching hairpins, either top or bottom anchors will do. + let attach (anchor_on_double:string) (anchor_on_group:string) (seg_group:Svg.group) : Svg.group = + Svg.attach_group_to (ds,anchor_on_double) (seg_group,anchor_on_group) + // For each possible element, if it is present, then render it, rotate it, and attach it to the double strand. + // Bulges happen when two segments are connected by a double link with overhangs. + let has_bulge_left = left_connection = Some DoubleLink && (segment.top_left.IsSome || segment.bottom_left.IsSome) && not prev_empty + let has_bulge_right = right_connection = Some DoubleLink && (segment.top_right.IsSome || segment.bottom_right.IsSome) && not next_empty + let bulge_to_group = if bulge_lines then bulge_to_group_lines else bulge_to_group_arcs + let bulge_to_group = bulge_to_group mode rotate_labels + // Render any bulges. Top and bottom strands are rendered as a unit. + let bulgel = if not has_bulge_left then None else + bulge_to_group (match segment.top_left with None -> [] | Some strand -> strand.domains) (segment.double_strand.domains.Head) (match segment.bottom_left with None -> [] | Some strand -> strand.domains) (segment.double_strand.domains.Head) + |> (attach "tl" "tr") |> Some + let bulger = if not has_bulge_right then None else + bulge_to_group (match segment.top_right with None -> [] | Some strand -> strand.domains) (segment.double_strand.domains |> List.last) (match segment.bottom_right with None -> [] | Some strand -> strand.domains) (segment.double_strand.domains |> List.last) + |> (attach "tr" "tl") |> Some + // Render each possible overhang. Note that the presence of a bulge overrides overhangs. Note that an overhang should generally be rotated, unless it is at the end of a segment that doesn't connect to anything, or it is itself a connector to another segment of the same gate. If both top and bottom overhangs are present, they both must be rotated regardless. + let tl = if has_bulge_left then None else + match segment.top_left with + | None -> None + | Some strand -> let straight = segment.bottom_left.IsNone && (left_connection=None || (left_connection=Some TopLink && not prev_empty)) + dstrand_to_group left_connection false None (prev.top_right.IsSome) false true strand + |> (fun g -> if straight then g else Svg.rotate_group_around_anchor "tr" overhang_angle g) + |> (attach "tl" "tr") |> Some + let bl = if has_bulge_left then None else + match segment.bottom_left with + | None -> None + | Some strand -> let straight = segment.top_left.IsNone && (left_connection=None || (left_connection=Some BottomLink && not prev_empty)) + dstrand_to_group left_connection false None (prev.bottom_right.IsSome) (left_connection=Some BottomLink || left_connection=Some DoubleLink) false strand + |> (fun g -> if straight then g else Svg.rotate_group_around_anchor "br" -overhang_angle g) + |> (attach "bl" "br") |> Some + let tr = if has_bulge_right then None else + match segment.top_right with + | None -> None + | Some strand -> let straight = segment.bottom_right.IsNone && (right_connection=None || (right_connection=Some TopLink && not next_empty)) + dstrand_to_group None (next.top_left.IsSome) right_connection false false (right_connection=Some TopLink || right_connection=Some DoubleLink) strand + |> (fun g -> if straight then g else Svg.rotate_group_around_anchor "tl" -overhang_angle g) + |> (attach "tr" "tl") |> Some + let br = if has_bulge_right then None else + match segment.bottom_right with + | None -> None + | Some strand -> let straight = segment.top_right.IsNone && (right_connection=None || (right_connection=Some BottomLink && not next_empty)) + dstrand_to_group None (next.bottom_left.IsSome) right_connection false true false strand + |> (fun g -> if straight then g else Svg.rotate_group_around_anchor "bl" overhang_angle g) + |> (attach "br" "bl") |> Some + // Render hairpins. Note that here I'm trusting that the segment is well-formed, i.e. does not have a hairpin and overhangs on the same side, and if it has a hairpin then it's disconnected on that side. + let hl = match segment.hairpin_left with + | None -> None + | Some strand -> dstrand_to_group None false None false true true strand + |> (attach "tl" "tr") |> Some + let hr = match segment.hairpin_right with + | None -> None + | Some strand -> dstrand_to_group None false None false true true strand + |> (attach "tr" "tl") |> Some + // Determine the combined anchor points. The group for a DSegment always has top and bottom anchor points. It may not have left or right anchor points, if there is a hairpin on that side. For each overhang position, if there is an overhang, then the segment anchor point is the anchor point for the overhang. If there is no overhang, then the segment anchor point is the anchor point for the double strand. + let a_tl = if segment.hairpin_left.IsSome then None else + let a = match bulgel with Some g -> g | None -> match tl with Some g -> g | None -> ds + Some {anchor_id="tl";anchor_point=Svg.get_anchor_point "tl" a} + let a_tr = if segment.hairpin_right.IsSome then None else + let a = match bulger with Some g -> g | None -> match tr with Some g -> g | None -> ds + Some {anchor_id="tr";anchor_point=Svg.get_anchor_point "tr" a} + let a_bl = if segment.hairpin_left.IsSome then None else + let a = match bulgel with Some g -> g | None -> match bl with Some g -> g | None -> ds + Some {anchor_id="bl";anchor_point=Svg.get_anchor_point "bl" a} + let a_br = if segment.hairpin_right.IsSome then None else + let a = match bulger with Some g -> g | None -> match br with Some g -> g | None -> ds + Some {anchor_id="br";anchor_point=Svg.get_anchor_point "br" a} + // Create the group object. Note that this group does not actually have content of its own; it only has sub-groups. + { name = "Segment "+segment.ToString() + content = Paths [] + // Gather the anchors that actually exist. + anchors = List.choose (fun g->g) [a_tl;a_tr;a_bl;a_br] + debug_anchors = false + // Gather the double strand group and the overhang groups that actually exist. + sub_groups = List.choose (fun x->x) [Some ds;tl;tr;bl;br;hl;hr;bulgel;bulger] + offset = None } + +/// Renders a DGate to the intermediate SVG representation. +let dgate_to_group (mode:renderer_mode) (rotate_labels:bool) (gate:DGate) : Svg.group = + let dsegment_to_group = dsegment_to_group mode rotate_labels + /// This function renders a DSegment within a gate, and attaches it to the group that was rendered from a previous DSegment. The signature is designed for use with List.mapFold. It returns the rendered group, and a tuple of the segment plus the rendered group (which will become the parameter of the next iteration). + let attach (prev:DSegment,prevg:Svg.group,curr:DSegment) (next:DSegment) : Svg.group*(DSegment*Svg.group*DSegment) = + // Render the new segment and align it with the previous segment, according to the connection type. + let gseg = dsegment_to_group prev curr next + let currg = match prev.connection with + | None -> failwith "unconnected segment" + | Some TopLink -> Svg.attach_group_to (prevg,"tr") (gseg,"tl") + | Some BottomLink -> Svg.attach_group_to (prevg,"br") (gseg,"bl") + | Some DoubleLink -> Svg.attach_group_to (prevg,"tr") (gseg,"tl") + currg,(curr,currg,next) + // Get the first group. + let firstseg = gate.segments.Head + let nextseg = match gate.segments.Tail with [] -> empty_dsegment | seg::_ -> seg + let firstg = dsegment_to_group ({empty_dsegment with connection=gate.left_connection}) firstseg nextseg + // Render the segment sequence. + let (groups,(lastseg,lastg)) = + match gate.segments.Tail with + | [] -> ([firstg],(firstseg,firstg)) + | next::rest -> + let (groups,(curr,_,last)) = List.mapFold attach (firstseg,firstg,next) rest + let groups = firstg::groups + // Render the last segment. + let (last_group,(lastseg,lastg,_)) = attach(curr,(List.last groups),last) empty_dsegment + (groups@[last_group],(lastseg,lastg)) + let left_connection = gate.left_connection + let right_connection = lastseg.connection + // Determine the gate anchors. Each anchor may need to be extended a bit, if the adjacent gate is not actually connected there. + let a_tl = + if firstseg.hairpin_left.IsSome then None else + let p = Svg.get_anchor_point "tl" firstg + let p = if left_connection=Some DoubleLink||left_connection=Some TopLink then p else + if p.y = -half_separation then {p with x=p.x-extension_length} else + Svg.rotate_point_around p -overhang_angle {p with x=p.x-extension_length} + Some {anchor_id="tl";anchor_point=p} + let a_tr = + if lastseg.hairpin_right.IsSome then None else + let p = Svg.get_anchor_point "tr" lastg + let p = if right_connection=Some DoubleLink||right_connection=Some TopLink then p else + if p.y = -half_separation then {p with x=p.x+extension_length} else + Svg.rotate_point_around p -overhang_angle {p with x=p.x+extension_length} + Some {anchor_id="tr";anchor_point=p} + let a_bl = + if firstseg.hairpin_left.IsSome then None else + let p = Svg.get_anchor_point "bl" firstg + let p = if left_connection=Some DoubleLink||left_connection=Some BottomLink then p else + if p.y = half_separation then {p with x=p.x-extension_length} else + Svg.rotate_point_around p overhang_angle {p with x=p.x-extension_length} + Some {anchor_id="bl";anchor_point=p} + let a_br = + if lastseg.hairpin_right.IsSome then None else + let p = Svg.get_anchor_point "br" lastg + let p = if right_connection=Some DoubleLink||right_connection=Some BottomLink then p else + if p.y = half_separation then {p with x=p.x+extension_length} else + Svg.rotate_point_around p overhang_angle {p with x=p.x+extension_length} + Some {anchor_id="br";anchor_point=p} + // Return the containing group. This group has no content of its own, just subgroups. + { name = "Gate "+gate.ToString() + content = Paths [] + // A DGate always has top and bottom anchors, which correspond to the anchors for the leftmost and rightmost segments. It may not have left or right anchors, if the first segment has a left hairpin or the last segment has a right hairpin, respectively. + anchors = List.choose (fun g->g) [a_tl;a_tr;a_bl;a_br] + debug_anchors = debug_anchors + // Return all the rendered subgroups. + sub_groups = groups + offset = None } + +/// This function draws connecting lines between branches as appropriate. Parameters: the root of the node to which the gates belong, and tuples of already-rendered group and gates for the two gates. Precondition: the groups must be in the same frame of reference. Returns the updated g1. +let connect_branches (mode:renderer_mode) (root:DGate) (g1:group,gate1:DGate) (g2:group,gate2:DGate) : group = + let nucleotides = mode = renderer_mode.Nucleotides + let get_domain_class = get_domain_class nucleotides + let connector_anchor = "cc" + /// Returns the top right domain for the given gate, along with a flag that tells whether it is an overhang. + let get_top_right_domain (gate:DGate) = + let last_segment = List.last gate.segments + match last_segment.top_right with Some strand -> List.last strand.domains,true | None -> List.last last_segment.double_strand.domains,false + /// Returns the top left domain for the given gate, along with a flag that tells whether it is an overhang. + let get_top_left_domain (gate:DGate) = + let first_segment = List.head gate.segments + match first_segment.top_left with Some strand -> List.head strand.domains,true | None -> List.head first_segment.double_strand.domains,false + /// Returns the bottom right domain for the given gate, along with a flag that tells whether it is an overhang. + let get_bottom_right_domain (gate:DGate) = + let last_segment = List.last gate.segments + match last_segment.bottom_right with Some strand -> List.last strand.domains,true | None -> List.last last_segment.double_strand.domains,false + /// Returns the bottom left domain for the given gate, along with a flag that tells whether it is an overhang. + let get_bottom_left_domain (gate:DGate) = + let first_segment = List.head gate.segments + match first_segment.bottom_left with Some strand -> List.head strand.domains,true | None -> List.head first_segment.double_strand.domains,false + /// Chooses which pair of classes to use, based on which ones are supposed to avoid fraying. + let choose_classes (class1,avoid_fraying_1) (class2,avoid_fraying_2) : string*string = + if avoid_fraying_1 && not avoid_fraying_2 then (class2,class2) else + if avoid_fraying_2 && not avoid_fraying_1 then (class1,class1) else + (class1,class2) + /// Creates a set of paths that connects the given anchors of the given groups, with the given CSS classes. + let connect_anchors (a1,g1,c1) (a2,g2,c2) = + let p1 = Svg.get_anchor_point a1 g1 + let p2 = Svg.get_anchor_point a2 g2 + let short = sqrt ((p1.x-p2.x)*(p1.x-p2.x)+(p1.y-p2.y)*(p1.y-p2.y)) < short_branch_join + let style = if short then " shortbranchjoin" else " branchjoin" + if c1 = c2 then + [{ path_class = Some (c1+style) + ; commands = [MoveTo p1;LineTo p2] + ; path_label = None }] + else + let mid = {x=(p1.x+p2.x)/2.0;y=(p1.y+p2.y)/2.0} + let a = { path_class = Some (c1+style) + ; commands = [MoveTo p1;LineTo mid] + ; path_label = None } + let b = { path_class = Some (c2+style) + ; commands = [MoveTo mid;LineTo p2] + ; path_label = None } + [a;b] + if gate1 = root then + // First link. Connect gate1's top right to gate2's top left, iff gate2 has a top or double link at the beginning. + match gate2.left_connection with + | Some BottomLink + | None -> {g1 with sub_groups=g2::g1.sub_groups} + | Some TopLink + | Some DoubleLink -> + let ct1 = let (d,overhang) = gate1|>get_top_right_domain in d|>get_domain_class,d.toehold&¬ overhang + let ct2 = let (d,overhang) = gate2|>get_top_left_domain in d|>get_domain_class,d.toehold&¬ overhang + //let (class1,class2) = choose_classes ct1 ct2 + let (class1,class2) = base_class,base_class + let paths = connect_anchors ("tr",g1,class1) ("tl",g2,class2) + let pg = { Svg.content_group (Paths paths) with name = "Connector" } + {g1 with sub_groups=g2::pg::g1.sub_groups} + else if gate2 = root then + // Last link. Connect gate1's bottom left to gate2's bottom right, iff gate2 has a top or bottom link at the beginning. Note that, in this case, g2 is already present within g1, therefore thereturned group does not need to include it in the sub_groups. + match (List.last gate2.segments).connection with + | Some TopLink + | None -> {g1 with sub_groups=g1.sub_groups} + | Some BottomLink + | Some DoubleLink -> + let ct1 = let (d,overhang) = gate1|>get_bottom_left_domain in d|>get_domain_class,d.toehold&¬ overhang + let ct2 = let (d,overhang) = gate2|>get_bottom_right_domain in d|>get_domain_class,d.toehold&¬ overhang + //let (class1,class2) = choose_classes ct1 ct2 + let (class1,class2) = base_class,base_class + let paths = connect_anchors (connector_anchor,g1,class1) ("br",g2,class2) + let pg = { Svg.content_group (Paths paths) with name = "Connector" } + {g1 with sub_groups=pg::g1.sub_groups} + else + // Connect gate1's bottom left to gate2's top left, iff gate2 has a top or double link at the beginning. + match gate2.left_connection with + | Some BottomLink + | None -> {g1 with sub_groups=g2::g1.sub_groups} + | Some TopLink + | Some DoubleLink -> + let ct1 = let (d,overhang) = gate1|>get_bottom_left_domain in d|>get_domain_class,d.toehold&¬ overhang + let ct2 = let (d,overhang) = gate2|>get_top_left_domain in d|>get_domain_class,d.toehold&¬ overhang + //let (class1,class2) = choose_classes ct1 ct2 + let (class1,class2) = base_class,base_class + let paths = connect_anchors (connector_anchor,g1,class1) ("tl",g2,class2) + let pg = { Svg.content_group (Paths paths) with name = "Connector" } + {g1 with sub_groups=g2::pg::g1.sub_groups} + +/// Renders a DBranch to the intermediate SVG representation. +let rec dbranch_to_group_wide (mode:renderer_mode) (rotate_labels:bool) (branch:DBranch) : Svg.group = + let dgate_to_group = dgate_to_group mode rotate_labels + let dbranch_to_group_wide = dbranch_to_group_wide mode rotate_labels + let connect_branches = connect_branches mode + let rootgate = branch.gate + let rendered_gate = dgate_to_group rootgate,rootgate + let rendered_children = branch.children |> List.map (fun b -> dbranch_to_group_wide b,b.gate) + let edge_count = float (rendered_children.Length+1) + let min_anchor_x (g:group) = (g.anchors |> List.map (fun a -> a.anchor_point.x) |> List.min) + let max_anchor_x (g:group) = (g.anchors |> List.map (fun a -> a.anchor_point.x) |> List.max) + let mid_anchor_y_left (g:group) = ((Svg.get_anchor_point "bl" g).y + (Svg.get_anchor_point "tl" g).y) / 2.0 + let anchor_height_left (g:group) = abs ((Svg.get_anchor_point "bl" g).y - (Svg.get_anchor_point "tl" g).y) + let mid_anchor_y_right (g:group) = ((Svg.get_anchor_point "br" g).y + (Svg.get_anchor_point "tr" g).y) / 2.0 + let anchor_height_right (g:group) = abs ((Svg.get_anchor_point "br" g).y - (Svg.get_anchor_point "tr" g).y) + // Note that if there are no children, then this entire function won't actually do anything. Also, in that case there is the possibility that the dgate does not have right anchors, which would cause anchor_height_right to crash. So I'm better off not calculating the height at all. + let max_height = if rendered_children=[] then 0.0 else max (rendered_gate|>fst|>anchor_height_right) ((rendered_children) |> List.map fst |> List.maxBy anchor_height_left |> anchor_height_left) + let circumference = (max_height + 1.0) * edge_count + let radius = circumference / Math.PI / 2.0 + let deg_diff = 360.0 / edge_count + // I'm adding vertical center anchors to the groups, which correspond to the center of the circle. + let rendered_gate = + // For the same reason as above, if I have no children then there's no point in adding the right-central anchor, and it may fail if the dgate lacks right anchors. So I'm skipping it. + if rendered_children=[] then rendered_gate else + let (g,gate) = rendered_gate + {g with anchors = {anchor_id="rc";anchor_point={x=max_anchor_x g + radius;y=mid_anchor_y_right g}}::g.anchors},gate + let rendered_children = rendered_children |> List.map (fun (g,gate) -> {g with anchors = {anchor_id="lc";anchor_point={x=min_anchor_x g-radius;y=mid_anchor_y_left g}}::g.anchors},gate) + /// Rotates, translates and connects the children of the given (group,gate), starting from the given angle. Returns the updated group and the last connected gate. + let rec attach (group,gate) angle (children:(group*DGate)list) : group*DGate = + match children with + | [] -> + let (group,gate) = if gate = rootgate then (group,gate) else connect_branches rootgate (group,gate) rendered_gate, snd rendered_gate + (group,gate) + | (child_group,child_gate)::rest -> + let child_group = Svg.rotate_group_around_anchor "lc" angle child_group + let child_group = Svg.attach_group_to (group,"rc") (child_group,"lc") + let cgroup = connect_branches rootgate (group,gate) (child_group,child_gate) + let cgroup = {cgroup with anchors={anchor_id="cc";anchor_point=Svg.get_anchor_point "bl" child_group}::cgroup.anchors} + attach (cgroup,child_gate) (angle+deg_diff) rest + let (group,_) = attach rendered_gate (deg_diff-180.0) rendered_children + group + +/// Renders a DBranch to the intermediate SVG representation. +let rec dbranch_to_group_babylon (mode:renderer_mode) (rotate_labels:bool) (branch:DBranch) : Svg.group = + let connect_branches = connect_branches mode + let dgate_to_group = dgate_to_group mode rotate_labels + let dbranch_to_group_babylon = dbranch_to_group_babylon mode rotate_labels + // Render the root. + let rootgate = branch.gate + let rootgroup = dgate_to_group rootgate + // If this is just the root, everything else is useless. Return immediately. + if branch.children = [] then rootgroup else + // Render the children. + let rendered_children = branch.children |> List.map (fun b -> dbranch_to_group_babylon b,b.gate) + /// This function returns the length of the side of a group that's facing towards the node. + let side_len (group,gate) = + let vec = if gate = rootgate then Svg.anchor_to_anchor (group,"br") (group,"tr") else Svg.anchor_to_anchor (group,"bl") (group,"tl") + let len = Svg.norm vec + len + // Calculate the array of side lengths. + let side_lengths = List.map side_len ((rootgroup,rootgate)::rendered_children) + /// Provides the angle covered by a side. + let side_angle radius side_len = 2.0 * Math.Asin (side_len/radius/2.0) + let total_angle radius = + List.sumBy (side_angle radius) side_lengths + /// Finds a crude numerical solution to the babylonian problem. + let rec find_radius last_radius = + let next_radius = last_radius - 1.0 + if next_radius <= 0.0 then next_radius else + let next_total_angle = total_angle next_radius + if Double.IsNaN next_total_angle || next_total_angle > 2.0*Math.PI then last_radius else + find_radius next_radius + // Get the radius. If the longest side is greater than all the rest put together, then the babylonian problem has no solution. I'll just use the max side as radius. + let max_side = List.max side_lengths + let radius = if max_side >= (List.sum side_lengths) / 2.0 then max_side/2.0 else find_radius max_side + let radius = if radius <= 0.0 then max_side/2.0 else radius + let radius = radius + float (rendered_children.Length+1) * 1.0 + // Get the total angle occupied by branch sides. This will typically be a bit less than 360°. + let total_seg_angle = total_angle radius + // Get the remaining angle. I'll allocate this as extra spacing between branches. + let total_spare_angle = Math.PI * 2.0 - total_seg_angle + /// Weight function for the allocation of extra spacing between branches. Takes two adjacent branches and returns a number that's proportional to how much extra angular spacing should be allocated between them. + let spare_angle_weight (group1,gate1) (group2,gate2) = + let trunk_dist_1 = abs (if gate1=rootgate then (Svg.get_anchor_point "tr" group1).y else (Svg.get_anchor_point "bl" group1).y) + let trunk_dist_2 = abs (if gate2=rootgate then (Svg.get_anchor_point "br" group2).y else (Svg.get_anchor_point "tl" group2).y) + 1.0 / ((trunk_dist_1+trunk_dist_2)*(trunk_dist_1+trunk_dist_2)) + // Create a table associating couples of successive gates with the weight to be given to the allocation of the spare angle between them. + let spare_angle_weights = + let (couples,_) = List.mapFold (fun curr next -> (curr,next),next) (rootgroup,rootgate) (rendered_children@[(rootgroup,rootgate)]) + List.map (fun ((groupa,gatea),(groupb,gateb)) -> (gatea,gateb),spare_angle_weight (groupa,gatea) (groupb,gateb)) couples + // Calculate the total weight for the allocation of spare angles. + let spare_angle_total_weight = List.sumBy (fun (_,w) -> w) spare_angle_weights + // Redefine the weight function to use the table created above. This ensures it produces the correct result after the groups get rototranslated. + let spare_angle_weight gate1 gate2 = + let (_,w) = List.find (fun ((g1,g2),_) -> g1=gate1&&g2=gate2) spare_angle_weights + w + /// Calculates the extra angular spacing to be inserted between two groups. + let spare_angle_per_connection g1 g2 = total_spare_angle * (spare_angle_weight g1 g2) / spare_angle_total_weight + /// Adds to the group an anchor located at the center of the circle. + let add_center_anchor (g:group) : group = + // I need to figure out an anchor located on the center of the circle. For the root, it's on the right; for the children, it's on the left. + let root = (g = rootgroup) + // Get the two anchors on the side facing the node. + let (p1,p2) = if root then (Svg.get_anchor_point "tr" g), (Svg.get_anchor_point "br" g) else (Svg.get_anchor_point "tl" g), (Svg.get_anchor_point "bl" g) + // Calculate the intersection points of two circles of equal radius, centered on the two anchors. Good explanation at https://math.stackexchange.com/questions/256100/how-can-i-find-the-points-at-which-two-circles-intersect. + let d2 = (p1.x-p2.x)*(p1.x-p2.x)+(p1.y-p2.y)*(p1.y-p2.y) + let k = sqrt(4.0*radius*radius/d2-1.0)/2.0 + let xa = (p1.x+p2.x)/2.0 + k * (p2.y-p1.y) + let xb = (p1.x+p2.x)/2.0 - k * (p2.y-p1.y) + let ya = (p1.y+p2.y)/2.0 + k * (p2.x-p1.x) + let yb = (p1.y+p2.y)/2.0 - k * (p2.x-p1.x) + let c1 = {x=xa;y=yb} + let c2 = {x=xb;y=ya} + // I have two intersections. Get the one on the correct side. + let c = if root then + if xa > xb then c1 else c2 + else + if xa > xb then c2 else c1 + let anchor = {anchor_id="cen";anchor_point=c} + {g with anchors=anchor::g.anchors} + // I'm adding vertical center anchors to the groups, which correspond to the center of the circle. The root group doesn't get the anchor, because it doesn't get rotated. + let rootgroup1 = rootgroup |> add_center_anchor + let rendered_children1 = rendered_children |> List.map (fun (group,gate) -> (add_center_anchor group),gate) + // Move all children so that their center anchors are superposed with the center anchor of the root. + let rendered_children2 = rendered_children1 |> List.map (fun (group,gate) -> (Svg.attach_group_to (rootgroup1,"cen") (group,"cen")),gate ) + /// This function rotates a child so that its side is located clockwise of the previous child, plus some spare angle. + let rotate_child (prev_group:group,prev_gate:DGate,prev_angle:float) (child_group:group,child_gate:DGate) : group*float = + // This doesn't work because the child's center anchor does not necessarily lie on its axis, so the child may initially be at an angle different from 0. + let child_angle = + let child_side_1 = Svg.get_anchor_point "tl" child_group + let child_side_2 = Svg.get_anchor_point "bl" child_group + let child_center = Svg.get_anchor_point "cen" child_group + let child_side_center = {x=(child_side_1.x+child_side_2.x)/2.0;y=(child_side_1.y+child_side_2.y)/2.0} + let v = Svg.sub child_side_center child_center + let angle = Svg.ang v + angle + let spare_angle = (spare_angle_per_connection prev_gate child_gate) |> Svg.rad_to_deg + let prev_side = side_len (prev_group,prev_gate) + let child_side = side_len (child_group,child_gate) + let prev_side_angle = side_angle radius prev_side |> Svg.rad_to_deg + let child_side_angle = side_angle radius child_side |> Svg.rad_to_deg + let angle = prev_angle + prev_side_angle/2.0 + spare_angle + child_side_angle/2.0 + let group = Svg.rotate_group_around_anchor "cen" (angle - child_angle) child_group + group,angle + // Note that the starting angle is -180.0, because all children have the center to the left. + let (rendered_children3,final_angle) = rendered_children2 |> List.mapFold (fun prev_group (group,gate) -> let (group,a) = rotate_child prev_group (group,gate) in (group,gate),(group,gate,a)) (rootgroup1,rootgate,-180.0) + + // Connect all children. + let rec attach (group,gate) (children:(group*DGate)list) : group*DGate = + match children with + | [] -> + let (group,gate) = if gate = rootgate then (group,gate) else connect_branches rootgate (group,gate) (rootgroup1,rootgate), rootgate + (group,gate) + | (child_group,child_gate)::rest -> + let cgroup = connect_branches rootgate (group,gate) (child_group,child_gate) + let cgroup = {cgroup with anchors={anchor_id="cc";anchor_point=Svg.get_anchor_point "bl" child_group}::cgroup.anchors} + attach (cgroup,child_gate) rest + let (group,_) = attach (rootgroup1,rootgate) rendered_children3 + group + +let dbranch_to_group (arrange:arrange_mode) (mode:renderer_mode) (rotate_labels:bool) (branch:DBranch) : Svg.group = + match arrange with + | Babylon -> dbranch_to_group_babylon mode rotate_labels branch + | Wide -> dbranch_to_group_wide mode rotate_labels branch + +let dorigami_to_group (arrange:arrange_mode) (mode:renderer_mode) (rotate_labels:bool) (origami:DOrigami) : Svg.group = + let dstrand_to_group = dstrand_to_group mode rotate_labels + let dbranch_to_group = dbranch_to_group arrange mode rotate_labels + let (dstrands,dbranches) = origami |> List.partition (fun (el:DOrigamiElement) -> match el with Strand _ -> true | _ -> false) + let dstrands = dstrands |> List.map (fun el -> match el with Strand s -> s | _ -> failwith "") + let dbranches = dbranches |> List.map (fun el -> match el with Branch b -> b | _ -> failwith "") + let gstrands = dstrands |> List.map (dstrand_to_group None false None false false false) + let gbranches = dbranches |> List.map dbranch_to_group + let b = (gstrands @ gbranches) |> List.map (fun g -> Svg.emerge_groups [g]) |> Svg.stackv origami_sep species_skip in + let border_label = "" in + let border_inset = (String.length border_label |> float) * letter_width / 2.0 in + let border_offset = { Svg.x = 2.0; Svg.y = 2.0 } in + let border_dim = b.box_dim |> Svg.translate_point_by (border_offset |> Svg.scale_by -1.0) in + let border = { Svg.path_class = base_class + " origami-border" |> Some + ; Svg.commands = Svg.rounded_box border_offset border_dim origami_round + ; Svg.path_label = { Svg.label_text = border_label + ; Svg.label_anchor = Svg.sub b.box_dim origami_sep |> Svg.translate_point_by { x = -border_inset; y = 0.0 } + ; Svg.label_class = Some base_class + ; Svg.letter_width = Svg.default_letter_width + ; Svg.label_dir = Svg.sub b.box_dim origami_sep |> Svg.translate_point_by { x = -border_inset; y = 0.0 } } + |> Some } + {b.box_group with content = Paths [border]} + +let unknown_to_group (unknown:string) : Svg.group = + { name = unknown + content = Raw unknown + anchors = [] + debug_anchors = false + sub_groups = [] + offset = None } + + +// Conversion from ClassicDSD species. This is fairly straightforward, as the underlying representations are similar. + +let from_dsd_domain (mapping:Sequence.mapping) (dom:Domain.t) : DDomain = + let dname = Domain.get_name dom + let name = if dname.EndsWith("*") then dname.Substring(0,dname.Length-1) else dname + { name = name + nucleotides = match Sequence.get_domain mapping dom with None | Some None -> Domain.get_sequence dom |> Sequence.parse_sequence | Some (Some s) -> s + toehold = Domain.is_toehold dom + complemented = Domain.is_complemented dom + tether = if Domain.is_tethered dom then Domain.display_picture dom true |> Some else None + pseudoknot = None } + +let from_dsd_strand (mapping:Sequence.mapping) (st:Strand.t) : DStrand = + let from_dsd_domain = from_dsd_domain mapping + match st with + | Strand.Upper doms -> { kind = TopStrand; domains = List.map from_dsd_domain doms } + | Strand.Lower doms -> { kind = BottomStrand; domains = List.map from_dsd_domain doms } + +let from_dsd_segment (mapping:Sequence.mapping) (seg:Segment.t) : DSegment = + let from_dsd_domain = from_dsd_domain mapping + match seg with + | Segment.Double (bl, tl, m, tr, br) -> + { top_left = if tl=[] then None else { kind = TopStrand; domains = List.map from_dsd_domain tl } |> Some + top_right = if tr=[] then None else { kind = TopStrand; domains = List.map from_dsd_domain tr } |> Some + bottom_left = if bl=[] then None else { kind = BottomStrand; domains = List.map from_dsd_domain bl } |> Some + bottom_right = if br=[] then None else { kind = BottomStrand; domains = List.map from_dsd_domain br } |> Some + double_strand = { kind = DoubleStrand; domains = List.map from_dsd_domain m } + hairpin_left = None + hairpin_right = None + connection = None } + | Segment.Hairpin (b, t, m, h, side) -> + match side with + | Segment.Left -> + { top_left = None + top_right = if t=[] then None else { kind = TopStrand; domains = List.map from_dsd_domain t } |> Some + bottom_left = None + bottom_right = if b=[] then None else { kind = BottomStrand; domains = List.map from_dsd_domain b } |> Some + double_strand = { kind = DoubleStrand; domains = List.map from_dsd_domain m } + hairpin_left = { kind = LeftHairpinStrand; domains = List.map from_dsd_domain h } |> Some + hairpin_right = None + connection = None } + | Segment.Right -> + { top_left = if t=[] then None else { kind = TopStrand; domains = List.map from_dsd_domain t } |> Some + top_right = None + bottom_left = if b=[] then None else { kind = BottomStrand; domains = List.map from_dsd_domain b } |> Some + bottom_right = None + double_strand = { kind = DoubleStrand; domains = List.map from_dsd_domain m } + hairpin_left = None + hairpin_right = { kind = RightHairpinStrand; domains = List.map from_dsd_domain h } |> Some + connection = None } + +let from_dsd_gate (mapping:Sequence.mapping) (g:Gate.t) : DGate = + let from_dsd_segment = from_dsd_segment mapping + // A DSD gate is a double-list. Elements in the inner list are all bottom-connected, and are top-connected to other element sequences in the outer list. + let to_bottom_sequence (final: bool) (segs:Segment.t list) = + let len = segs.Length + List.mapi (fun i seg -> { from_dsd_segment seg with connection = if i = len-1 then (if final then None else Some TopLink) else Some BottomLink}) segs + let len = g.Length + let segments = List.mapi (fun i segl -> to_bottom_sequence (i=len-1) segl) g |> List.concat + { segments = segments; left_connection = None } + +let from_dsd_origami (mapping:Sequence.mapping) (o:Origami.t) : DOrigami = + let from_dsd_strand = from_dsd_strand mapping + let from_dsd_gate = from_dsd_gate mapping + let gate_to_simple_dbranch (g:Gate.t) = { gate = from_dsd_gate g; children = [] } + let to_origami_element (c:Origami.content) = + match c with + | Origami.C_strand str -> from_dsd_strand str |> Strand + | Origami.C_gate gate -> gate_to_simple_dbranch gate |> Branch + List.map to_origami_element o + + +// Conversion from LogicDSD processes. This goes through a graph representation (where bind sites are edges and everything else is nodes). + +/// Site type for the intermediate representation. This is basically the same as SiteC, except that it also allows for the notion of an explicit "eliminated pseudoknot". +type LSite = LBound of DomainC * BondC + | LUnbound of DomainC + | LPseudoknotBound of DomainC * BondC + with override this.ToString() = match this with + | LPseudoknotBound (domain,bond) -> domain.ToString()+"/"+bond.ToString() + | LBound (domain,bond) -> domain.ToString()+"."+bond.ToString() + | LUnbound domain -> domain.ToString() + end +/// Process type for the intermediate representation. It's a list of strands, which are a list of sites. +type LProcess = LSite list list +/// Type representing a site sequence; this is basically a ProcessC where gaps between StrandC instances are replaced with a None object. +type LSeq = LSite option list +/// Node type for the intermediate graph representation. A node is conceptually a circle made of interleaved edges and LSeq instances. The first LSeq represents the unprocessed sites that lie on the node between the edge from its parent node and the first child edge (leading sequence). The tuples in the list are made of an edge, and the unprocessed sites (trailing sequence) that lie on the node between the edge and the next edge (or, in the case of the last tuple in the list, between the edge and the edge coming from the parent). +type LNode = { leading: LSeq; edges: (LEdge * LSeq) list } +/// Edge type for the intermediate graph representation. An edge is a DGate, plus the LNode to which it connects. Edges are directed. They connect to their parent node on the left, and to child nodes on the right. +and LEdge = { gate: DGate; child: LNode } + +/// This functions converts a DomainC to a DDomain. +let domainc_to_domain (domain:DomainC) (pseudoknot:int option) : DDomain = + { name = domain.name + nucleotides = [] + toehold = domain.isToehold + complemented = domain.isComplementary + tether = match domain.tag with + | NoTagC -> None + | AnyTagC -> Some "_" + | TagC s -> Some s + pseudoknot = pseudoknot } + +/// This function converts a LSeq into a DStrand. It's used for cases where the entire graph is composed of a node with no edges. This means that it is a single strand. This is a special case, because it cannot be represented as a DBranch. +let from_single_node_lgraph (lseq:LSeq) : DStrand = + let site_to_domain (s:LSite) : DDomain = + let (domain,pseudoknot) = match s with LBound (dom,_) -> (dom,None) | LPseudoknotBound (dom,pk) -> (dom,Some pk) | LUnbound dom -> (dom,None) + domainc_to_domain domain pseudoknot + let domains = lseq |> List.choose (fun x->x) |> List.map site_to_domain + // I expect the sequence to be a single strand, i.e. connected domains and a single "empty" site at the end. If there's more than oneempty site, then something is wrong. A process with more than one strand should always have at least one bond. + if domains.Length <> lseq.Length-1 then failwith "Error: root node is a split leaf" else + // By convention, I assume this strand to be top. + { domains = domains; kind = DStrandKind.TopStrand } + +/// This function "irons" the graph, that is, moves all domains that are inside an LNode into edges proper. +let iron_root_graph (root:LNode) : LNode = + /// This function irons each edge's leading sequence into the top left of the edge. + let rec iron_top_left_all (leading:LSeq,edges:(LEdge*LSeq)list) = + /// Moves all domains from the leading sequence to the adjacent edge, up to the end or the first gap. Returns the modified leading sequence and modified edge. + let rec iron_top_left (leading:LSeq) (edge:LEdge) : (LSeq*LEdge) = + /// Moves one domain from the leading sequence to the adjacent edge, if possible. Returns the modified leading sequence and modified edge. If there's no domain to move, returns None. + let iron_top_left_single (leading:LSeq) (edge:LEdge) : (LSeq*LEdge) option = + match List.rev leading with + | [] -> None + | None::revrest -> None + | site::revrest -> + // I've removed a non-gap site immediately preceding the edge. Convert the site to a domain. + let domain = match site with + | Some (LUnbound dom) -> domainc_to_domain dom None + | Some (LPseudoknotBound (dom,pk)) -> domainc_to_domain dom (Some pk) + | _ -> failwith "this should never happen (bound domain in a node)" + let rest = List.rev revrest + // Attach it to the top left of the edge gate. + let dgate:DGate = + match edge.gate.segments with + | [] -> failwith "this should never happen (empty edge gate)" + | leftmost_segment::rest_gate -> + // Create the overhang if it doesn't exist yet. + let strand = match leftmost_segment.top_left with None -> {domains=[];kind=DStrandKind.TopStrand} | Some strand -> strand + let strand = {strand with domains=domain::strand.domains} + {edge.gate with segments={leftmost_segment with top_left = Some strand}::rest_gate} + Some (rest,{edge with gate = dgate}) + let updated = iron_top_left_single leading edge + match updated with + | None -> + // Set the top connection for the leftmost gate. See if it has a top connection to the rest of the node. + let has_top_connection = leading = [] + let connection = match edge.gate.left_connection with + | None | Some TopLink -> if has_top_connection then Some TopLink else None + | Some BottomLink | Some DoubleLink -> if has_top_connection then Some DoubleLink else Some BottomLink + // Recurse on children. + let (child_node_leading,child_node_edges) = iron_top_left_all (edge.child.leading,edge.child.edges) + let edge = {gate={edge.gate with left_connection=connection}; child={leading=child_node_leading;edges=child_node_edges}} + (leading,edge) + | Some (new_leading,new_edge) -> iron_top_left new_leading new_edge + // To make this easier, I'll temporarily convert the node into a form where each edge is associated to its leading sequence (instead of the trailing sequence). To help avoiding mistakes, the tuple for this association will be in the opposite order. + let trail_node_edges,trailing = List.mapFold (fun leading (edge,trailing) -> (leading,edge),trailing) leading edges + let trail_node_edges = List.map (fun (leading,edge) -> iron_top_left leading edge) trail_node_edges + // Convert back to the form where each edge is associated with its trailing sequence. + let edges,leading = List.mapFoldBack (fun (leading,edge) trailing -> (edge,trailing),leading) trail_node_edges trailing + (leading,edges) + /// This function irons each edge's trailing sequence into the bottom left of the edge. + let rec iron_bottom_left_all (leading:LSeq,edges:(LEdge*LSeq)list) = + /// Moves all domains from the trailing sequence to the adjacent edge, up to the end or the first gap. Returns the modified edge and trailing sequence. + let rec iron_bottom_left (trailing:LSeq) (edge:LEdge) : (LEdge*LSeq) = + /// Moves one domain from the trailing sequence to the adjacent edge, if possible. Returns the modified edge and trailing sequence. If there's no domain to move, returns None. + let iron_bottom_left_single (trailing:LSeq) (edge:LEdge) : (LEdge*LSeq) option = + match trailing with + | [] -> None + | None::rest -> None + | site::rest -> + // I've removed a non-gap site immediately following the edge. Convert it to a domain. + let domain = match site with + | Some (LUnbound dom) -> domainc_to_domain dom None + | Some (LPseudoknotBound (dom,pk)) -> domainc_to_domain dom (Some pk) + | _ -> failwith "this should never happen (bound domain in a node)" + // Attach it to the bottom left of the edge gate. + let dgate:DGate = + match edge.gate.segments with + | [] -> failwith "this should never happen (empty edge gate)" + | leftmost_segment::rest_gate -> + // Create the overhang if it doesn't exist yet. + let strand = match leftmost_segment.bottom_left with None -> {domains=[];kind=DStrandKind.BottomStrand} | Some strand -> strand + let strand = {strand with domains=domain::strand.domains} + {edge.gate with segments={leftmost_segment with bottom_left = Some strand}::rest_gate} + Some ({edge with gate=dgate},rest) + let updated = iron_bottom_left_single trailing edge + match updated with + | None -> + // Set the bottom connection for the leftmost gate. See if it has a bottom connection to the rest of the node. + let has_bottom_connection = trailing = [] + let connection = match edge.gate.left_connection with + | None | Some BottomLink -> if has_bottom_connection then Some BottomLink else None + | Some TopLink | Some DoubleLink -> if has_bottom_connection then Some DoubleLink else Some TopLink + // Recurse on children. + let (child_node_leading,child_node_edges) = iron_bottom_left_all (edge.child.leading,edge.child.edges) + let edge = {gate={edge.gate with left_connection=connection}; child={leading=child_node_leading;edges=child_node_edges}} + (edge,trailing) + | Some (new_trailing,new_edge) -> iron_bottom_left new_edge new_trailing + let edges = List.map (fun (edge,trailing) -> iron_bottom_left trailing edge) edges + (leading,edges) + /// This function irons all domains in an edge's child node's leading sequence into the top right of the edge. + let rec iron_top_right (edge:LEdge) : LEdge = + /// Moves one domain in the child node's leading sequence into the edge's top right overhang. Returns the updated edge, or None if no changes were made. + let iron_top_right_single (edge:LEdge) : LEdge option = + match edge.child.leading with + | [] -> None + | None::rest -> None + | site::rest -> + // I've removed a non-gap site at the start of the node. + let domain = match site with + | Some (LUnbound dom) -> domainc_to_domain dom None + | Some (LPseudoknotBound (dom,pk)) -> domainc_to_domain dom (Some pk) + | _ -> failwith "this should never happen (bound domain in a node)" + // Attach it to the top right of the edge gate. + let dgate:DGate = + match List.rev edge.gate.segments with + | [] -> failwith "this should never happen (empty edge gate)" + | rightmost_segment::rest_gate -> + // Create the overhang if it doesn't exist yet. + let strand = match rightmost_segment.top_right with None -> {domains=[];kind=TopStrand} | Some strand -> strand + let strand = {strand with domains=strand.domains@[domain]} + {edge.gate with segments = {rightmost_segment with top_right = Some strand}::rest_gate |> List.rev} + Some {edge with gate=dgate;child={edge.child with leading=rest}} + let updated = iron_top_right_single edge + match updated with + | None -> + // Set the top connection for the rightmost gate. See if it has a top connection to the rest of the node. + let has_top_connection = edge.child.leading = [] + match List.rev edge.gate.segments with + | [] -> failwith "this should never happen (empty edge gate)" + | rightmost_segment::rest_gate -> + let connection = match rightmost_segment.connection with + | None | Some TopLink -> if has_top_connection then Some TopLink else None + | Some BottomLink | Some DoubleLink -> if has_top_connection then Some DoubleLink else Some BottomLink + let rightmost_segment = {rightmost_segment with connection=connection} + let dgate = {edge.gate with segments=List.rev (rightmost_segment::rest_gate)} + {edge with gate=dgate} + | Some edge -> iron_top_right edge + /// This function irons all domains in an edge's child node's final trailing sequence into the bottom right of the edge. + let rec iron_bottom_right (edge:LEdge) : LEdge = + /// Moves one domain in the child node's final trailing sequence into the edge's bottom right overhang. Returns the updated edge, or None if no changes were made. + let iron_bottom_right_single (edge:LEdge) : LEdge option = + // I need the last child node edge. + match List.rev edge.child.edges with + | [] -> + // If the child node has no edges, I'll need to use the leading sequence instead (it'll end up being a right-hairpin). + match List.rev edge.child.leading with + | [] -> None + | None::rest -> None + | site::rest -> + let domain = match site with + | Some (LUnbound dom) -> domainc_to_domain dom None + | Some (LPseudoknotBound (dom,pk)) -> domainc_to_domain dom (Some pk) + | _ -> failwith "this should never happen (bound domain in a node)" + // Attach it to the bottom right of the edge gate. + let dgate:DGate = + match List.rev edge.gate.segments with + | [] -> failwith "this should never happen (empty edge gate)" + | rightmost_segment::rest_gate -> + // Create the overhang if it doesn't exist yet. + let strand = match rightmost_segment.bottom_right with None -> {domains=[];kind=DStrandKind.BottomStrand} | Some strand -> strand + let strand = {strand with domains=strand.domains@[domain]} + {edge.gate with segments={rightmost_segment with bottom_right = Some strand}::rest_gate |> List.rev} + // Return the altered DGate and child node. + Some {edge with gate=dgate;child={leading=List.rev rest;edges=[]}} + | (last_child_edge,trailing)::other_child_edges -> + match List.rev trailing with + | [] -> None + | None::rest -> None + | site::rest -> + let domain = match site with + | Some (LUnbound dom) -> domainc_to_domain dom None + | Some (LPseudoknotBound (dom,pk)) -> domainc_to_domain dom (Some pk) + | _ -> failwith "this should never happen (bound domain in a node)" + // Attach it to the bottom right of the edge gate. + let dgate:DGate = + match List.rev edge.gate.segments with + | [] -> failwith "this should never happen (empty edge gate)" + | rightmost_segment::rest_gate -> + // Create the overhang if it doesn't exist yet. + let strand = match rightmost_segment.bottom_right with None -> {domains=[];kind=DStrandKind.BottomStrand} | Some strand -> strand + let strand = {strand with domains=strand.domains@[domain]} + {edge.gate with segments={rightmost_segment with bottom_right = Some strand}::rest_gate |> List.rev} + // Rebuild the last edge of the child node, to subtract the final trailing site. + let updated_last_child_edge = (last_child_edge,List.rev rest) + // Rebuild the child node's edges list, with the updated last edge. + let updated_child_edges = List.rev (updated_last_child_edge::other_child_edges) + // Return the altered DGate and child node. + Some {edge with gate=dgate;child={edge.child with edges=updated_child_edges}} + let updated = iron_bottom_right_single edge + match updated with + | None -> + // Set the bottom connection for the rightmost gate. See if it has a bottom connection to the rest of the node. + let has_bottom_connection = match (List.rev edge.child.edges) with [] -> edge.child.leading = [] | (_,trailing)::_ -> trailing = [] + match List.rev edge.gate.segments with + | [] -> failwith "this should never happen (empty edge gate)" + | rightmost_segment::rest_gate -> + let connection = match rightmost_segment.connection with + | None | Some BottomLink -> if has_bottom_connection then Some BottomLink else None + | Some TopLink | Some DoubleLink -> if has_bottom_connection then Some DoubleLink else Some TopLink + let rightmost_segment = {rightmost_segment with connection=connection} + let dgate = {edge.gate with segments =List.rev (rightmost_segment::rest_gate)} + {edge with gate=dgate} + | Some edge -> iron_bottom_right edge + // Get a version of the node where all non-gap domains have been moved to the edges. + let rec iron_graph (root:LNode) : LNode = + let (leading,edges) = iron_top_left_all (root.leading,root.edges) + let (leading,edges) = iron_bottom_left_all (leading,edges) + let edges = List.map (fun (edge,trailing) -> (iron_top_right edge),trailing) edges + let edges = List.map (fun (edge,trailing) -> (iron_bottom_right edge),trailing) edges + // Recurse on child nodes. + let edges = List.map (fun (edge,trailing) -> {edge with child=iron_graph edge.child}, trailing) edges + // Now I have a graph where the nodes don't have any site, except for gaps. + {leading=leading;edges=edges} + // Special handling of the root node. Because it does not have an in-edge, and it only has a single out-edge, the leading and trailing loop back. Note that I'm going to be using new names for each step (leading1, leading2...) because this makes it far easier to view each step's result while debugging. + let (edge,trailing) = match root.edges with [(edge,trailing)] -> (edge,trailing) | _ -> failwith "root node does not have 1 edge" + // Move the edge's trailing to the leading, so that iron_top_left_all can handle it properly. + let leading1 = trailing@root.leading + let edges1=[(edge,[])] + let (leading2,edges2) = iron_top_left_all (leading1,edges1) + // Move the leading into the edge's trailing, so that iron_bottom_left_all can handle it properly. + let (edge,trailing) = match edges2 with [(edge,trailing)] -> (edge,trailing) | _ -> failwith "root node does not have 1 edge" + let edges3=[(edge,trailing@leading2)] + let leading3=[] + let (leading4,edges4) = iron_bottom_left_all (leading3,edges3) + // The right side does not need special handling. + let edges5 = List.map (fun (edge,trailing) -> (iron_top_right edge),trailing) edges4 + let edges6 = List.map (fun (edge,trailing) -> (iron_bottom_right edge),trailing) edges5 + // Recurse on child nodes. + let edges7 = List.map (fun (edge,trailing) -> {edge with child=iron_graph edge.child}, trailing) edges6 + // Now I have a graph where the nodes don't have any site, except for gaps. + {leading=leading4;edges=edges7} + +/// This function collapses single-edge nodes, turning them into DBranch terminators. +let collapse_single_edge_nodes (root:LNode) : LNode = + /// This function handles an edge. + let rec collapse_edge (edge:LEdge) : LEdge = + match edge.child with + | {leading=leading;edges=[]} -> + // The edge leads to a leaf node. The node is used to terminate the edge on the right. The node should either have a single gap site, or no sites at all. + match leading with + | [None] -> {edge with child={leading=[];edges=[]}} // The node has a gap, so the two strands of the edge don't connect. The edge is fine as it is. + | [] -> + // The node does not have a gap, so the two strands of the edge connect. This means that the right side of the edge (upper and lower) need to get joined and become a hairpin. + match List.rev edge.gate.segments with + | rightmost_segment::rest_of_gate -> + let top_right = match rightmost_segment.top_right with None -> [] | Some strand -> strand.domains + let bottom_right = match rightmost_segment.bottom_right with None -> [] | Some strand -> strand.domains + let updated_rightmost_segment = { rightmost_segment with hairpin_right = Some {domains=(List.rev top_right)@bottom_right;kind=DStrandKind.RightHairpinStrand} + top_right = None + bottom_right = None + connection = None } + let dgate = {edge.gate with segments = List.rev (updated_rightmost_segment::rest_of_gate)} + // Update the dgate. + {edge with gate=dgate;child={leading=[];edges=[]}} + | _ -> failwith "this should never happen (empty dgate)" + | _ -> failwith "this should never happen (domain found on a node during collapse)" + | {leading=leading;edges=edges} -> + // The edge leads to a non-leaf node. Recurse on all children. + let edges = List.map (fun (edge,trailing) -> (collapse_edge edge,trailing)) edges + // Return the edge with the modified children. + {edge with child={leading=leading;edges=edges}} + // The root node is special, because it doesn't have an incoming edge. This means that it might itself be used to terminate an edge on the left. + match root with + | {leading=leading;edges=[edge,trailing]} -> + // The root node is a leaf. The node is used to terminate the single out-edge on the left. The node should either have a single gap site, or no sites at all. Note that the leading and trailing sequences can be merged for this purpose, as they'll be adjacent. + match leading@trailing with + | [None] -> {leading=[];edges=[collapse_edge (edge),trailing]} // The node has a gap, so the edge is fine as it is. + | [] -> + // The node has no gap, so the top-left and bottom-left overhangs need to be joined into a left-hairpin. + match edge.gate.segments with + | leftmost_segment::rest_of_gate -> + let top_left = match leftmost_segment.top_left with None -> [] | Some strand -> strand.domains + let bottom_left = match leftmost_segment.bottom_left with None -> [] | Some strand -> strand.domains + let updated_leftmost_segment = { leftmost_segment with hairpin_left = Some {domains=bottom_left@(List.rev top_left);kind=DStrandKind.LeftHairpinStrand} + top_left = None + bottom_left = None } + let dgate = {edge.gate with segments= updated_leftmost_segment::rest_of_gate} + // Update the dgate and the node, and recurse on the child. + {leading=[];edges=[collapse_edge ({edge with gate=dgate}),trailing]} + | _ -> failwith "this should never happen (empty dgate)" + | _ -> failwith "this should never happen (domain found on a node during collapse)" + | {leading=leading;edges=edges} -> + // The root node is not a leaf. Recurse on all children. + let edges = List.map (fun (edge,trailing) -> (collapse_edge edge),trailing) edges + {leading=leading;edges=edges} + +/// This function changes the graph's direction (i.e. picks a new root node) so that the root is a leaf node. Note that the root should always be a leaf node at this stage, so concretely I'm just doing validation here. +let rotate_graph_structure (root:LNode) : LNode = + match root.edges with + | first::second::more -> + failwith "graph root is not a leaf node" + | _ -> root + +/// This function collapses dual-edge nodes, getting rid of them altogether, joining the two edges into a single edge. Precondition: the graph should be ironed, and the root node should be a leaf. +let rec collapse_dual_edge_nodes (root:LNode) : LNode = + /// If the edge's child node has a single child, then this function collapses the node and returns the modified edge. Otherwise, it does not modify the edge. Either way, it recurses. + let rec collapse_edge (edge:LEdge) : LEdge = + match edge.child.edges with + | [child_edge,trailing] -> + // The node has a single child. There are three possible cases: 1) the leading sequence is a gap and the trailing sequence is empty; 2) the leading sequence is empty and the trailing sequence is a gap; 3) both the leading and trailing sequences are empty. Note that there should never be a gap in both the leading and trailing sequences, because that would mean the strands are disconnected. + // Look at the right side of the parent segment and the left side of the child segment. Note that these sides cannot be hairpins (or there wouldn't even be a branch), so I don't need to check for that. + match List.rev edge.gate.segments with + | last_parent_segment::rest_parent -> + match child_edge.gate.segments with + | first_child_segment::rest_child -> + match (edge.child.leading,trailing) with + | [None],[] -> + // Case 1. Remove the node. Join the branches with a lower connection. + let connected_segment = { last_parent_segment with connection = Some BottomLink } + let merged_dgate = {child_edge.gate with segments = ((List.rev rest_parent)@[connected_segment])@child_edge.gate.segments;left_connection=edge.gate.left_connection} + // Recurse on the same edge, because it's now pointing to a different node. + {child_edge with gate=merged_dgate} |> collapse_edge + | [],[None] -> + // Case 2. Remove the node. Join the branches with an upper connection. + let connected_segment = { last_parent_segment with connection = Some TopLink } + let merged_dgate = {child_edge.gate with segments= ((List.rev rest_parent)@[connected_segment])@child_edge.gate.segments;left_connection=edge.gate.left_connection} + // Recurse on the same edge, because it's now pointing to a different node. + {child_edge with gate=merged_dgate} |> collapse_edge + | [],[] -> + // Case 3. I'd have to join branches with both upper and lower connections. There are two possible cases: A) the parent branch ends on a double strand and the child branch starts on a double strand; B) any other case. + match (last_parent_segment.top_right,last_parent_segment.bottom_right,first_child_segment.top_left,first_child_segment.bottom_left) with + | None,None,None,None -> + // Case A. Remove the node. Join the segments into a single segment, at the double strand. + let merged_segment = { top_left = last_parent_segment.top_left + bottom_left = last_parent_segment.bottom_left + hairpin_left = last_parent_segment.hairpin_left + top_right = first_child_segment.top_right + bottom_right = first_child_segment.bottom_right + hairpin_right = first_child_segment.hairpin_right + double_strand = { domains = last_parent_segment.double_strand.domains@first_child_segment.double_strand.domains; kind = DStrandKind.DoubleStrand }; + connection = first_child_segment.connection } + let merged_dgate = {child_edge.gate with segments=((List.rev rest_parent)@[merged_segment])@rest_child;left_connection=edge.gate.left_connection} + // Recurse on the same edge, because it's now pointing to a different node. + {child_edge with gate=merged_dgate} |> collapse_edge + | _ -> + // Case B. The segments have at least one single strand between them. Remove the node. Join the branches with a double connection, forming a bulge. + let connected_segment = { last_parent_segment with connection = Some DoubleLink } + let merged_dgate = {child_edge.gate with segments=((List.rev rest_parent)@[connected_segment])@child_edge.gate.segments;left_connection=edge.gate.left_connection} + // Recurse on the same edge, because it's now pointing to a different node. + {child_edge with gate=merged_dgate} |> collapse_edge + | _ -> failwith "this should never happen (unexpected dual-edge node content)" + | [] -> failwith "this should never happen (empty dgate)" + | [] -> failwith "this should never happen (empty dgate)" + | _ -> {edge with child=collapse_dual_edge_nodes edge.child} // The node is either a leaf, or it has more than one child. The first case can be ignored, the second case can never be collapsed. Recurse on outgoing edges. + let edges = List.map (fun (edge,trailing) -> (collapse_edge edge),trailing) root.edges + {root with edges=edges} + +/// This function takes a graph that's already fully collapsed, and produces the corresponding DBranch. +let convert_to_dbranch (root:LNode) : DBranch = + match root.edges with + | [edge,trailing] -> + let rec convert_child child_edge : DBranch = + { gate = child_edge.gate + children = List.map (fun (edge,_) -> convert_child edge) child_edge.child.edges } + convert_child edge + | _ -> failwith "this should never happen (root node is not a leaf)" + +/// This function converts the intermediate representation into a DSD-style object that can be rendered. If the node is a leaf, then this is a single DStrand. Otherwise, this is a DBranch. +let from_lgraph (root:LNode) : DOrigamiElement = + match root.edges with + | [] -> Strand (from_single_node_lgraph root.leading) // Special case: single-node graph. It's just a strand. + | _ -> + // This is a proper graph. First of all, I need to "iron" it. This gets me a graph where all domains are in the edges. + let ironed = iron_root_graph root + // Collapse single-edge nodes into DGate terminators. This will get me a graph where all leaf nodes are empty and can be ignored. + let collapsed1 = collapse_single_edge_nodes ironed + // Ensure that the root is a leaf node. This ensures that any dual-edge nodes have exactly one incoming and one outgoing edge. + let rotated = rotate_graph_structure collapsed1 + // Collapse dual-edge nodes into DGate junctions. This will get me a graph where leaf nodes can be ignored, and all other nodes become branches. + let collapsed2 = collapse_dual_edge_nodes rotated + // The root node is special because it has no in-edge. The method that sets left_connection assumes the presence of a in_edge, so the result may be wrong. Fixing this is trivial, as the left_connection of a root node is always None. + let collapsed2 = match collapsed2.edges with + | [edge,trailing] -> { collapsed2 with edges = [{edge with gate={edge.gate with left_connection=None}},trailing]} + | _ -> ironed + // Convert collapsed graph into a DBranch. + convert_to_dbranch collapsed2 |> Branch + +let from_logic_dsd (l:RulesDSD.Syntax.Process) : DOrigamiElement = + let original_proc:ProcessC = to_concrete_process l + let map_site s = + match s with + | BoundC (dom,b) -> LBound (dom,b) + | UnboundC dom -> LUnbound dom + let map_strandc (s:StrandC) : LSite list = List.map map_site s + let proc:LProcess = List.map map_strandc original_proc + /// This function changes the ordering of StrandC instances within proc so that there are no pseudoknots. If a pseudoknot is inevitable, then one of the bonds that make up the pseudoknot should be "unbound" for the purposes of rendering, and marked so that it can be displayed in some other way. + let rec reorder_process_avoid_pseudoknots (p:LProcess) : LProcess option = + /// Takes an element and a list. Returns the set of all lists generated by inserting that element at each possible position within the list. + let distrib e L = + let rec aux pre post = + seq { + match post with + | [] -> yield (L @ [e]) + | h::t -> yield (List.rev pre @ [e] @ post) + yield! aux (h::pre) t + } + aux [] L + /// Takes a list of objects, returns a set of lists that are all possible permutations of the original list. + let rec perms = function + | [] -> Seq.singleton [] + | h::t -> Seq.collect (distrib h) (perms t) + // Get all possible permutations of the strands within the ProcessC. + let all_perms : LProcess seq = perms p + /// Takes a ProcessC and returns a site involved in a pseudoknot within the process, or None if there is no pseudoknot. The process is converted into a single sequence, which is then traversed. Each time a bond site is found, the traversal begins searching for the matching bond site. This is done recursively, so that at any given time I am searching for the site that matches the last unmatched bond site. When the matching bond site is found, the traversal resumes searching for any bond site. If the traversal ends while still searching for a match for some bond site, it means that the matching bond site was skipped because it was encountered while searching for some other match. This in turn means that there is a pseudoknot, and the pseudoknot involves the unmatched site. + let find_pseudoknot (p:LProcess) : BondC option = + // For the purpose of finding pseudoknots, all I care about is bonds and their ordering. So I'm getting rid of everything else. I'll filter out non-bond sites, only take the bond ID, and concatenate everything. I'll end up with a list of ints. + let bonds_sequence : BondC list = p |> List.map (fun s -> List.choose (fun site -> match site with LBound (_,bond) -> Some bond | _ -> None) s) |> List.concat + // This may have eliminated everything. + if bonds_sequence = [] then None else + /// This function searches the sequence for the matching bond, and recursively searches it for any other matches it encounters. If it turns out to be impossible to match a bond, then that bond is returned. + let rec find_match (b:BondC) (sequence:BondC list) : BondC option*BondC list = + match sequence with + | [] -> Some b,[] // No more bonds. No match found. + | [bb] -> (if b = bb then None else Some b),[] // End of the sequence: last chance to match the bond. + | bb::rest -> // More bonds. + // If this is the match, then I'm satisfied and I'll return the rest of the sequence. + if b = bb then None,rest else + // This is not the match. I need to start a new search for the match to the new bond. + let (pseudoknot,more) = find_match bb rest + // Let's see if the new bond was matched. + match pseudoknot with + | None -> find_match b more // The new bond was matched. I'll keep searching for the match to my own bond. + | _ -> (pseudoknot,more) // The new bond was not matched. Return the pseudoknot. + /// This functions searches a sequence for pseudoknots. It returns one of the bonds involved in the pseudoknot, or None if there is no pseudoknot. + let find_pseudoknot (sequence:BondC list) : BondC option = + /// This function implements a recursive search on the sequence. + let rec find_pseudoknot_internal (sequence:BondC list) : BondC option*BondC list = + // If the sequence is empty, I'm done and I have no pseudoknots. + if sequence = [] then None,[] else + // Let's see if the first bond has a pseudoknot. + let pseudoknot = find_match sequence.Head sequence.Tail + match pseudoknot with + | None,rest -> find_pseudoknot_internal rest // No pseudoknot so far. Let's look at the next bond. + | _ -> pseudoknot // Pseudoknot. Return it. + // Begin the recursive search. + let (pseudoknot,_) = find_pseudoknot_internal sequence + pseudoknot + let pseudoknot = find_pseudoknot bonds_sequence + pseudoknot + /// This function returns true if the process is connected. A process that's not connected would result in disjointed graphs. + let is_connected (p:LProcess) : bool = + let tagged = List.map (fun st -> (st, ref false)) p + let rec tag_by_bond (bond:BondC) = + let has_bond (st:LSite list) = List.exists (fun s -> match s with LBound (_,b) -> b=bond | _ -> false) st + List.iter (fun (st,tag) -> if has_bond st then tag_strand (st,tag) else ()) tagged + and tag_strand (st,tag) = + if !tag then () else + tag := true + List.iter (fun site -> match site with LBound (_,b) -> tag_by_bond b | _ -> ()) st + tag_strand tagged.Head + not (List.exists (fun t -> false = !(snd t)) tagged) + // Find a "good" permutation. A good permutation has no pseudoknots and no unbound strands. + match Seq.tryFind (fun pp -> let pseudoknot = find_pseudoknot pp in pseudoknot.IsNone && is_connected pp) all_perms with + | Some ok_process -> Some ok_process + | None -> + // No permutation that avoids pseudoknots could be found. I'll unbind domains one after the other until I end up with a "good" permutation. + let all_bonds : BondC list = p |> List.map (fun s -> List.choose (fun site -> match site with LBound (_,bond) -> Some bond | _ -> None) s) |> List.concat |> List.distinct + let try_remove_bond (bond:BondC) : LProcess option = + // The bound domain will be unbound and marked. + let map_site (s:LSite) = + match s with + | LBound (dom,b) -> (if b = bond then LPseudoknotBound (dom,b) else LBound (dom,b)) + | other -> other + let new_process = List.map (fun s -> List.map map_site s) p + reorder_process_avoid_pseudoknots new_process + // For each bond, get the process that results from removing that bond (provided that the removal results in a "good" permutation). + let candidates:LProcess list = List.choose try_remove_bond all_bonds + // Search for the "best" solution. + match candidates with + | [] -> None + | _ -> + /// Ranks a process (returns the number of eliminated pseudoknot bonds). The lower, the better. + let rank (p:LProcess) = p |> List.concat |> List.sumBy (fun st -> match st with LPseudoknotBound _ -> 1 | _ -> 0) + // Find the candidate where the least number of bonds has been eliminated. + let pp = List.minBy rank candidates + Some pp + + // Get a ProcessC with no pseudoknots. + let reordered_proc = match reorder_process_avoid_pseudoknots proc with + | Some proc -> proc + | None -> failwith "this should never happen (unable to eliminate pseudoknots and/or create a fully connected graph)" + // Convert the process into a LSeq. The LSeq is the result of stacking the strands back-to-back and putting a gap between them. + let original_lseq = (List.map (fun s -> (List.map Some s)@[None]) reordered_proc) |> List.concat + /// This function reorders a LSeq by moving elements from the bottom to the top, in such a way that the first level of a recursive search for bonded couples will only find one couple. This results in the graph only having one out-edge from the root. This is a property that's required later on. Note that doing this is allowed because the full initial LSeq can be considered to be circular. + let make_single_root lseq : LSeq = + /// This function splits the sequence in two, around a point that's between two bond sites that have no other bond sites between them. Any sequence without pseudoknots has to have at least one such point. + let rec take_leading (before:LSeq) (sourceseq:LSeq) = + match sourceseq with + | [] -> (before,[]) + | head::rest -> + let new_before = (before@[head]) + match head with + | Some (LBound (_,bond)) -> + let rec find_match seq = + match seq with + | (Some (LBound (_,bond2)))::_ -> bond=bond2 + | [] -> false + | _::rest -> find_match rest + if find_match rest then new_before,rest else + take_leading new_before rest + | _ -> take_leading new_before rest + let (before,after) = take_leading [] lseq + after@before + let lseq = make_single_root original_lseq + /// This function "processes" a lseq into a node. It examines all sites in sequence. When it finds a bound site, it searches for the matching site in the rest of the sites. The two bound sites become an edge, and sites between them gets split off into a new child node, which gets recursively processed. Examination then resumes from the first site immediately following the second bound site. + let rec process_lseq (sourceseq:LSeq) : LNode = + // Get the leading part of the node. This is the sequence that goes from the start of the node (the site immediately after the parent-edge), to either the first child-edge, or the end of the node (if the node has no bound sites and therefore no children). + let rec take_sequence (leading:LSeq,rest:LSeq) : LSeq*LSeq = + match rest with + | Some (LBound (_,_))::_ -> (leading,rest) // found a bond site: the leading bit is done. Note I'm not consuming the site at this point. + | site::more -> take_sequence (leading@[site],more) // found a non-bond site: add it to the leading bit and recurse. + | [] -> (leading,rest) // reached the end: return. + // Get the edges, including the actual edge, the child node, and the trailing sequence. + let rec take_edges (edges:(LEdge*LSeq)list,rest:LSeq) : (LEdge*LSeq)list*LSeq = + match rest with + | [] -> (edges,rest) // reached the end: return. + | Some (LBound (dom1,bond))::more -> // found a bond site, now I need to scan for the corresponding site. + let rec take_child_seq (childseq:LSeq,rest:LSeq) : LSeq*LSeq = + match rest with + | Some (LBound (_,same_bond))::moremore when same_bond = bond -> (childseq,moremore) // found the bound site. I'm consuming it and returning the child sequence. + | site::moremore -> take_child_seq (childseq@[site],moremore) // bound site not yet found, add this to the sequence and recurse. + | [] -> failwith "cannot find a matching bond site; this should never happen (bad pseudoknot elimination?)" + let (child_seq,moreseq) = take_child_seq ([],more) + // Create the edge gate. + let edge_gate_segments = [{ top_left = None + top_right = None + bottom_left = None + bottom_right = None + hairpin_left = None + hairpin_right = None + double_strand = { domains = [domainc_to_domain dom1 None]; kind = DoubleStrand } + connection = None }] + let edge_gate = {segments=edge_gate_segments; left_connection=None} + // Recursively create the child node. + let child_node = process_lseq child_seq + // Get the trailing sequence. + let (trailing_sequence,moremoreseq) = take_sequence ([],moreseq) + // Make the new edge + trailing sequence. + let edge = {gate=edge_gate;child=child_node},trailing_sequence + // Append it. + let edges = edges@[edge] + // Recurse on the following sequence. + let (edges,restseq) = take_edges (edges,moremoreseq) + (edges,restseq) + | _ -> failwith "non-bond site after following a leading/trailing sequence; this should never happen" + let (leading,edgesseq) = take_sequence ([],sourceseq) + let (edges,_) = take_edges ([],edgesseq) + {leading=leading;edges=edges} + let topNode = process_lseq lseq + let dbranch = from_lgraph topNode + dbranch + + +// "Branches" renderer for DSD species + +/// Produces the CSS style for the SVG produced by this module. Requires the set of domain->color associations. The rest of the styles are fixed. +let style cm = + let dom_styles = cm |> Lib.string_of_list (fun (id:string, col) -> let id = sanitize_id id in "path."+base_class+".dom_"+id + " { stroke: " + col + " } text."+base_class+".dom_"+id+" { fill: " + col + " }") " " in + let base_style = "g { fill: none; } path."+base_class+" { stroke: silver; stroke-width: " + Svg.display_float line_width + "; stroke-linejoin: round; } text."+base_class+" { fill: black; stroke-width: 0; font-family: Verdana,Arial,sans-serif; font-size: " + string (int font_size) + "px; text-anchor: middle } text.fixedwidth { font-family:Lucida Console,monospace } text.pseudoknot { font-weight:bold } path.shortbranchjoin { "+short_branch_join_style+" } path.branchjoin { "+branch_join_style+" }" + let path_style = sprintf "path { stroke: silver; stroke-width: %f; stroke-linejoin: round; fill: none; }" line_width + let text_style = sprintf "text { stroke: black; fill: black; stroke-width: 0; font-family: Verdana,Arial,sans-serif; font-size: %fpx; text-anchor: middle; }" font_size + let base_style = path_style+" "+text_style+" "+base_style + let tether_style = "path."+base_class+".tether-pin { stroke : black }" + base_style + " " + dom_styles + " " + tether_style + +let palette = [ "red"; "green"; "blue"; "orange"; "purple" + ; "cyan"; "brown"; "magenta"; "dodgerblue"; "orchid" + ; "lawngreen"; "lightskyblue"; "darksalmon"; "teal"; "rosybrown" + ; "navajowhite"; "olive"; "darkseagreen"; "darkgoldenrod"; "pink" ] + +/// Takes a partial map of domains->colors and a complete list of species, and returns a complete map of domain IDs->colors. +let dom_map (dcs:Hashtable.t) species_list = + let (_,taken_colours) = Hashtable.to_list dcs |> List.unzip + let free_colours = palette |> List.filter (fun c -> List.exists ((=) c) taken_colours |> not) in + let dom_counter = ref 0 in + let ret = Hashtable.empty() in + let add d = + let name = (d |> from_dsd_domain Sequence.empty).name in + match name |> Hashtable.tryFind ret with + | None -> + let colour = match name |> Hashtable.tryFind dcs with + | None -> + let c = free_colours.[!dom_counter] in + dom_counter := (!dom_counter + 1) % free_colours.Length; + c + | Some c -> c in + Hashtable.add ret name colour + | Some _ -> () + let xx = species_list + |> List.collect Species.domains + |> List.filter Domain.is_toehold + |> Lib.remove_duplicates (=) + List.iter add xx; + ret + +/// Returns the CSS style for the SVG representation of the given species. You can pass a partial map of domains->colors; the rest of the domains will get assigned colors automatically. +let species_style dc (sp:Species.t list) : string = + let dc = dom_map dc sp + dc |> Hashtable.to_list |> style + +let species_to_svg_branches (arrange:arrange_mode) (mode:renderer_mode) (mapping:Sequence.mapping) (rotate_labels:bool) (style:string) (sp:Species.t) : string = + let nucleotides = mode = renderer_mode.Nucleotides + let g = match sp with + | Species.STRAND strand -> + let dstrand = from_dsd_strand mapping strand + dstrand_to_group mode rotate_labels None false None false false false dstrand + | Species.GATE gate -> + let dgate = from_dsd_gate mapping gate + dgate_to_group mode rotate_labels dgate + | Species.ORIGAMI origami -> + let dorigami = from_dsd_origami mapping origami + dorigami_to_group arrange mode rotate_labels dorigami + | Species.UNKNOWN unknown -> + unknown_to_group unknown + | Species.LogicDsdProcess logic -> + let delement = from_logic_dsd logic + match delement with + | Strand strand -> dstrand_to_group mode rotate_labels None false None false false false strand + | Branch branch -> dbranch_to_group arrange mode rotate_labels branch + let box = Svg.emerge_groups [g] + let ret = Svg.to_string_normalise (not rotate_labels && not nucleotides) style box + ret \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/branchesrenderer.fsi b/ClassicDSD/ClassicDSDDotNet/branchesrenderer.fsi new file mode 100644 index 0000000..2f6c93a --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/branchesrenderer.fsi @@ -0,0 +1,65 @@ +module Microsoft.Research.DNA.BranchesRenderer +open Microsoft.Research.CRNEngine +open Microsoft.Research.DNA.Options + + +type internal DDomain = { + name: string; + nucleotides: Sequence.t; + toehold: bool; + complemented: bool; + tether: string option; + pseudoknot: int option; +} with + member GetComplemented : unit -> DDomain + override ToString : unit -> string +end + +type internal DStrandKind = TopStrand | BottomStrand | DoubleStrand | LeftHairpinStrand | RightHairpinStrand + +type internal DStrand = { + kind: DStrandKind; + domains: DDomain list; +} with + override ToString : unit -> string + + +type internal DSegmentConnection = TopLink | BottomLink | DoubleLink + +type internal DSegment = { + top_left: DStrand option; + top_right: DStrand option; + bottom_left: DStrand option; + bottom_right: DStrand option; + double_strand: DStrand; + hairpin_left: DStrand option; + hairpin_right: DStrand option; + connection: DSegmentConnection option; +} with + override ToString : unit -> string +end + +type internal DGate = { + left_connection: DSegmentConnection option; + segments: DSegment list; +} with + override ToString : unit -> string +end + +type internal DBranch = { + gate: DGate; + children: DBranch list; +} + +type internal DOrigamiElement = Strand of DStrand | Branch of DBranch + +type internal DOrigami = DOrigamiElement list + +val internal from_dsd_strand : Sequence.mapping -> Strand.t -> DStrand +val internal from_dsd_gate : Sequence.mapping -> Gate.t -> DGate +val internal from_dsd_origami : Sequence.mapping -> Origami.t -> DOrigami +val internal from_logic_dsd : RulesDSD.Syntax.Process -> DOrigamiElement + +val dom_map : Hashtable.t -> Species.t list -> Hashtable.t +val species_style : Hashtable.t -> Species.t list -> string +val species_to_svg_branches : arrange_mode -> renderer_mode -> Sequence.mapping -> bool -> string -> Species.t -> string \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/circlesrenderer.fs b/ClassicDSD/ClassicDSDDotNet/circlesrenderer.fs new file mode 100644 index 0000000..4809e04 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/circlesrenderer.fs @@ -0,0 +1,621 @@ +[] +module Microsoft.Research.DNA.CirclesRenderer +open Microsoft.Research.DNA.LogicDSD +open Microsoft.Research.DNA.Species +open Microsoft.Research.CRNEngine.Svg + +// FP: I am adapting this from the version in SiteGraphReactor. + +//--------------------------- +// Circle based visualisation +// (NuPack-style) +// From DnaModelling solution, DnaStructures project, Visualizations.fs file +//--------------------------- + +(* Algorithm: + - build a circle with edges + - collapse edges until they are all turned into children + - collapse edges in children recursively +*) + +type svg_domain = + | Domain of DomainC + | Xing of DomainC + | Hole + member this.text = + match this with + | Domain dom -> dom.ToString().Replace("^", "") + | Xing _ -> "X" + | Hole -> "O" + member this.compl = + match this with + | Domain dom -> Domain { dom with isComplementary = not dom.isComplementary } + | _ -> this + +/// Represents a circle. The circle is made of ports (which mostly correspond to domains), and may have children (which are other circles connected to it). A circle may be itself the child of another circle, but does not maintain a reference to its parent. +type circle = + /// The center of the circle. + { center : float * float + /// A rotation to be applied to the circle (to align its ports correctly). + ; angle : float + /// The circle radius. + ; radius : float // Invariant: radius = ports.Length |> circle_radius + /// The ports that make up the circle. + ; ports : svg_domain[] + /// The circle's children. The type of a child is a tuple of: an integer which is the index in the port sequence on which the child is connected to the parent; a domain which is the edge domain connecting the two circles, and the actual child circle. + ; children : (int * svg_domain * circle) list + /// Edges within the circle, i.e. sites that ought to connect. If there are edges, then the circle can be collapsed further. + ; edges : (int*int) [] + } + +let pi = System.Math.PI +let twopi = 2.0 * pi + +let min_side_length = 100.0 +let xing_length_per_char = 30.0 +let circle_has_overhangs ports = Array.exists (fun d -> match d with Domain d -> true | _ -> false) ports +/// Determines the radius of a circle, based on the ports (domains) in it. The radius is determined so that each arc is min_side_length units long. +let circle_radius ports = + match ports with [|Xing _; Xing _|] -> 4.0 + | _ -> 0.5*(min_side_length * float ports.Length)/twopi * (if circle_has_overhangs ports then 1.0 else 0.4) + +/// Make crossings longer when domain names are long. +let xing_side_length (b:svg_domain) = + match b with + | Hole -> + min_side_length + | Xing dom + | Domain dom -> + let l = float dom.name.Length * xing_length_per_char + max l min_side_length + +/// Normalize the tuple so that the smaller int goes first. +let sort_e (p1:int, p2:int) = min p1 p2, max p1 p2 + +/// This function receives a circle and an edge within the circle (in the form of a couple of indexes within the circle's ports array). It returns the same circle, except that now it has an additional child. The ports array is split between the parent and the child, and each side of the edge becomes a crossing port, where they join. +let circle_split (p1, p2) (c:circle) = // Do not split on an edge with a right neighbour + /// The ports, sorted so that p1 is guaranteeed to be the lowest. + let p1, p2 = sort_e (p1,p2) + /// The length (in sites count) of the current circle. + let n = c.ports.Length + /// The length of the first new circle (parent). + let n1 = n - (p2-p1) + /// The length of the second new circle (child). + let n2 = p2-p1 + /// This function takes the index of a site in the new parent circle, and returns the index of the corresponding site in the original circle. + let m1_inv i = if i < p1 then i + else i-p1+p2 // Note that if i == p1 this will return the index of one side of the edge. + /// This function takes the index of a site in the original circle, and returns the index of the corresponding site in the new parent circle. Note that this will return a negative number if the site in the original circle is not actually in the new parent circle (i.e. it's in the child circle). + let m1 i = if i < p1 then i + else i+p1-p2 // Note that if i == p1 this will return the index of one side of the edge. + /// This function takes the index of a site in the child circle, and returns the index of the corresponding site in the original circle. Note that the child circle is formed of the sites originally contained between the edge sites; this is why this function doesn't need to take p2 into account. + let m2_inv i = i+p1+1 + /// This function takes the index of a site in the original circle, and returns the index of the corresponding site in the new child circle. Note that the child circle is formed of the sites originally contained between the edge sites; this is why this function doesn't need to take p2 into account. Note that this will return a negative number if the site in the original circle is not actually in the new child circle (i.e. it's in the parent circle). + let m2 i = i-p1-1 + /// Turns a Domain port into a Xing port. Note: if this gets called on a port that's not a Domain, then something went wrong in the earlier phases (edges can only logically be between Domain ports). + let make_xing port = match port with Domain dom -> Xing dom | _ -> failwith "" + /// The ports of the new parent circle. In the new parent circle's index, the crossing is at index p1. + let ports1 = Array.init n1 (fun i -> let port = c.ports.[m1_inv i] + if i = p1 then make_xing port + else port) + /// The ports of the new child circle. In the new parent circle's index, the crossing is always at the last site (i.e. index n2-1). + let ports2 = Array.init n2 (fun i -> let port = c.ports.[m2_inv i] + if i = n2-1 then make_xing port + else port) + /// Takes a port index (in the original circle). Returns true if this port will end up in the new parent circle. If called on one of the edge ports, will always return false. + let in_c1 p = p < p1 || p > p2 + /// Divide any existing children between the two circles, according to which circle the child's port belongs to. Note that this assumes that no children is at p1 or p2 (this should be impossible). + let cs1, cs2 = c.children |> List.partition (fun (p,_,_) -> in_c1 p) + /// This function takes as input the characteristics of a parent circle (port count and radius); the connection port on the parent side; the characteristics of a child circle. It returns the coordinates and rotation angle of the child circle. This will be used both to place the new child relative to the parent, and to reposition any pre-existing children of both of them. + let port_circle (pn, pr) (ports:svg_domain[]) (p:int) (cn, cr) = + let side_length = xing_side_length ports.[p] + let angle = (float p / float pn) * twopi + let d = pr + 0.5 * side_length + cr + let center = (d * cos angle, d * sin angle) + let angle2X = -twopi / float cn + ( center + , angle - angle2X + pi ) + + /// Radius of the new parent circle. + let radius1 = circle_radius ports1 + /// Radius of the new child circle. + let radius2 = circle_radius ports2 + + /// Takes a pre-existing child of the parent circle, and the port on which it is connected to the parent. Returns the same child, translated and rotated into a position that matches the new shape of the parent circle. + let child1 p ch = + let center, angle = port_circle (n1, radius1) ports1 p (ch.ports.Length, ch.radius) + { ch with center = center; angle = angle } + /// Remap the pre-existing children of the new parent circle, so that they are correctly placed. + let children1 = cs1 |> List.map (fun (p,s,ch) -> m1 p, s, child1 (m1 p) ch) + + /// Location (center, angle) of the new child circle. + let center2, angle2 = port_circle (n1, radius1) ports1 p1 (n2, radius2) + + /// Takes a pre-existing child of the new child circle, and the port on which it is connected to the parent. Returns the same child, translated and rotated into a position that matches the new shape of its parent circle (which is the new child circle). + let child2 p ch = + let center, angle = port_circle (n2, radius2) ports2 p (ch.ports.Length, ch.radius) + { ch with center = center; angle = angle } + /// Remap the pre-existing children of the new child circle, so that they are correctly placed. + let children2 = cs2 |> List.map (fun (p,s,ch) -> m2 p, s, child2 (m2 p) ch) + + /// Divide the edges of the original circle between the two new circles. Note that this looks at the first site alone because we assume no crossings; if there are crossings, the algorithm will produce wrong results. Also, the edge currently being handled will end up in the child circle at this stage (but we'll remove it soon). + let es1, es2 = c.edges |> Array.partition (fst >> in_c1) + /// Map the site indexes of the edges that end up in the parent circle, so that they are in the space of its sites. + let edges1 = es1 |> Array.map (fun (i,j) -> m1 i, m1 j) + /// Map the site indexes of the edges that end up in the child circle, so that they are in the space of its sites. Also, remove the edge currently being handled. + let edges2 = es2 |> Array.filter (fun e -> sort_e e <> (p1,p2)) + |> Array.map (fun (i,j) -> m2 i, m2 j) + + /// The new child circle. + let circle2 = + { center = center2 + ; angle = angle2 + ; radius = radius2 + ; ports = ports2 + ; children = children2 + ; edges = edges2 } + + // The parent circle is different from the old circle, because sites have been removed from it. Therefore, its own position and angle relative to its own parent need to get changed. + + let angleX = -twopi / float n + let angle1X = -twopi / float n1 + let angle1 = c.angle + angleX - angle1X + + let Xx, Xy = c.radius * cos (c.angle + angleX), c.radius * sin (c.angle + angleX) + let X1x, X1y = radius1 * cos (angle1 + angle1X), radius1 * sin (angle1 + angle1X) + let center1 = fst c.center + Xx - X1x, snd c.center + Xy - X1y + + { center = center1 + ; angle = angle1 + ; radius = radius1 + ; ports = ports1 + ; children = (p1, c.ports.[p1], circle2)::children1 + ; edges = edges1 + } + +/// Collapse all edges in the given circle; each collapse will cause the circle to be split, generating a child circle, joined by a crossing. +let rec collapse_circle (c:circle) = + if c.edges.Length = 0 then + // If this circle has no edges, then recursively collapse all children. + let children = c.children |> List.map (fun (i, s, ch) -> (i, s, collapse_circle ch)) + { c with children = children } + else + // If this circle has edges, collapse the first and then recurse on the resulting circle. + c |> circle_split c.edges.[0] |> collapse_circle + +/// Padding around a rendering. +let pad = 12.0 + +/// Translates the circle so that the entire figure is in the first quadrant. Also returns the width and height of the figure. +let into_view (c:circle) = + /// Returns an enumeration of the corners of the circle and its children (in this context, by corner of a circle, we mean a corner of a box that contains the circle). Returned corners are in the top-level space; in order to do this, I provide the function with the angular and location delta of the current child. + let rec corners da (dx, dy) (c:circle) = + let rotate (x,y) = + ( x * cos da - y * sin da + , x * sin da + y * cos da ) + let translate (x,y) = (x + dx, y + dy) + let transform = rotate >> translate + seq { + // Transform the center and return its corners. + let x, y = c.center |> transform + yield (x + c.radius * 2.0, y + c.radius * 2.0) + yield (x - c.radius * 2.0, y - c.radius * 2.0) + // Recurse on the children, passing along the parent's delta angle and position. + yield! c.children |> Seq.collect (fun (i,_,ch) -> corners (c.angle+da) (x, y) ch) + } + // Start the enumeration on the topmost circle, which has angle 0 and is centered on the origin. + let corners = corners 0.0 (0.0, 0.0) c + // Determine the corners of the box that contains all corners (this could be done more efficiently, but it's very unlikely to be a long enumeration anyway). + let min_x = corners |> Seq.map fst |> Seq.min + let max_x = corners |> Seq.map fst |> Seq.max + let min_y = corners |> Seq.map snd |> Seq.min + let max_y = corners |> Seq.map snd |> Seq.max + // Determine the width and height of the box. + let width = max_x - min_x + let height = max_y - min_y + // Translate the center of the topmost circle so that the entire figure is in positive coordinates. Add some padding, too. + let cx, cy = c.center + ( { c with center = (cx - min_x + pad, cy - min_y + pad) } + , width + 2.0*pad + , height + 2.0*pad ) + +/// Size of an empty overhang, in site units (e.g. 0.2 means it's 20% the length of a regular domain). +let overhang_to_hole = 0.2 + +/// Generates the SVG string for the given circle. The supplied style, scale, width and height are not used, but they are integrated in the resulting string. +let circle_to_svg style scale (c:circle, width, height) = + /// Generates the SVG class for the given domain (so that it can be styled), for a text element. + let dom_class (dom:svg_domain) = match dom with Hole -> "" | Domain dom | Xing dom -> if dom.isToehold then sprintf "svgdsd dom_%s" dom.name else "" + /// Converts a circle to SVG; note that this will be recursed over the circle's children. Parameters include the delta angle and position from the parent; these need to be applied to the circle's SVG elements. + let rec convert da (dx,dy) (c:circle) = + // Each site will get an equal portion of the circle. + let n = c.ports.Length + /// This is the size in radians of the arc for a site. + let a = twopi / (float n) + /// Rotates a point by the delta angle. + let rotate (x,y) = + ( x * cos da - y * sin da + , x * sin da + y * cos da ) + /// Translates a point by the delta position. + let translate (x,y) = (x + dx, y + dy) + /// Transforms a point by the delta angle and position; this brings it into the correct reference for rendering. + let transform = rotate >> translate + /// Transforms a site index into a position on the circle. Note that the size index may be fractional in this context (so we can get positions between sites). + let pos i = + let x, y = c.center + let v = a * i + c.angle + ( x + c.radius*cos v + , y + c.radius*sin v) |> transform + /// Makes an arc between two positions on the circle, specified as site indexes (e.g. 0.5 indicates a point on the circle between the center of the first two sites). The domain passed as a parameter determines the CSS class of the arc. + let rim v1 v2 b = + let x1, y1 = v1 |> pos + let x2, y2 = v2 |> pos + let v = a * 0.5*(v1+v2) + c.angle + da + let r = v * 360.0 / twopi + sprintf "" (dom_class b) x1 y1 c.radius c.radius r x2 y2 + /// Draws the arc for a normal domain. It covers 0.5 site units to either side of the domain site. + let arc i b = rim (float i - 0.5) (float i + 0.5) b + /// Draws the label for a normal domain. + let label i b = + // Determine the position of the site on the circle. + let x, y = i |> float |> pos + // Determine the angular position of the site, in radians. + let v = a * float i + c.angle + da + // Determine the rotation of the text, in degrees (for SVG). + let r = 90.0 + v * 360.0 / twopi + // Output the text element. It is at the same position as the center of the site, except it's rotated by 90°. + sprintf "%s" (dom_class b) x y r x y b.text + /// Experimental: in a "degenerate" circle (one where all domains are either crossings or holes), hole terminators will get drawn along the crossing axis, rather than along the circle. + let degenerate = not (circle_has_overhangs c.ports) + let port_width = 4.0 + /// Generates the SVG string for a port. + let port i prev b next = + // The port can be a domain, a hole, or a crossing. + match b with + | Hole -> + // Figure out where the neighboring overhangs start. If they were Xing type domains, then this hole needs to be wider. This can happen on either or both sides, or none. + let overhang_dist_prev = match prev with Xing _ -> (1.0 - overhang_to_hole) | _ -> 0.5 + let overhang_dist_next = match next with Xing _ -> (1.0 - overhang_to_hole) | _ -> 0.5 + // This is a hole. It gets rendered as a perpendicular dash at the start of the next port, plus an arrow at the end of the previous port. + let l = 3.0 + // Draw the arrow. Note that this needs to be styled as the _previous_ domain. + // Determine the arrow's vector, expressed in radians. This can be determined as the angular position of the terminator on the circle. In the degenerate case, the angular position of the previous domain is used instead, plus a 90° rotation to make it point towards the center (this way, it points along the crossing's axis). + let arrv = if degenerate then + a * (float i - 1.0) + c.angle + da + 0.5*pi + else + a * (float i - overhang_dist_prev) + c.angle + da + // Determine the arrow's placement. This is obtained by taking the angular position of the terminator on the circle, and using the 'pos' function to convert it to Cartesian. In the degenerate case, we use the angular position of the previous domain (plus the port width, converted to an angular distance). + let arrx, arry = if degenerate then + float i - 1.0 + (asin (port_width / c.radius) / a) |> pos + else + float i - overhang_dist_prev |> pos + let arr1x, arr1y = arrx - l * cos arrv, arry - l * sin arrv + let arr2x, arr2y = arrx + l * cos arrv, arry + l * sin arrv + let arr3x, arr3y = arrx + 3.0 * l * cos (arrv + 0.5*pi), arry + 3.0 * l * sin (arrv + 0.5*pi) + let arr = sprintf "" (dom_class prev) arr1x arr1y arr2x arr2y arr3x arr3y + // Draw the dash. Note that this needs to be styled as the _next_ domain. + // Determine the dash's vector, expressed in radians. This can be determined as the angular position of the terminator on the circle. In the degenerate case, the angular position of the next domain is used instead, plus a 90° rotation to make it point towards the center (this way, it points along the crossing's axis). + let ev = if degenerate then + a * (float i + 1.0) + c.angle + da - 0.5*pi + else + a * (float i + overhang_dist_next) + c.angle + da + // Determine the dash's placement. This is obtained by taking the angular position of the terminator on the circle, and using the 'pos' function to convert it to Cartesian. In the degenerate case, we use the angular position of the next domain (minus the port width, converted to an angular distance). + let ex,ey = if degenerate then + float i + 1.0 - (asin (port_width / c.radius) / a) |> pos + else + float i + overhang_dist_next |> pos + let e1x, e1y = ex - l * cos ev, ey - l * sin ev + let e2x, e2y = ex + l * cos ev, ey + l * sin ev + let e = sprintf "" (dom_class next) e1x e1y e2x e2y + // Output the SVG text combining both parts. + sprintf "%s\n%s" arr e + | Xing d -> + // This is a crossing. It gets rendered as two parallel lines directed outwards from the circle, plus two arc segments to connect it to the rest of the circle. Note that, because both circles are going to draw this, there are going to be two overlapping paths for each side in the final SVG. + let overhang_size_next = match next with Hole -> overhang_to_hole | _ -> 0.5 + let overhang_size_prev = match prev with Hole -> overhang_to_hole | _ -> 0.5 + // Figure out the positions of the attachment points of the straight lines. I'll need them in site index angular units for the arc function, and in Cartesian coordinates for the path statements. + let dv = asin (port_width/ c.radius) / a + let ax1, ay1 = float i - dv |> pos + let ax2, ay2 = float i + dv |> pos + let v = a * float i + c.angle + da + // I'm extending the line a little bit in order to fake a miter join with the arc. The magic number here depends on the line thickness. A better solution would require rewriting this so that there is only one path declaration per side, instead of two. + let side_length = 3.7 + xing_side_length b + let bx1, by1 = ax1 + 0.5 * side_length * cos v, ay1 + 0.5 * side_length * sin v + let bx2, by2 = ax2 + 0.5 * side_length * cos v, ay2 + 0.5 * side_length * sin v + // Output the SVG text. Note that we are not adding the labels here. This is done further down, in the 'child' function. + [ rim (float i - overhang_size_prev) (float i - dv) b + ; rim (float i + dv) (float i + overhang_size_next) b + ; sprintf "" (dom_class b) ax1 ay1 bx1 by1 + ; sprintf "" (dom_class b) ax2 ay2 bx2 by2 ] + |> String.concat "\n" + | b -> + // This is a domain. It gets rendered as an arc. + sprintf "%s\n%s" (arc i b) (label i b) + /// Gathers all renderings of sites on the circle as SVG strings. Note that I am retrieving the previous and next port at each step; the changes I made to the renderer need knowledge of neighbors for some types of ports. + let port_str = c.ports |> Array.mapi (fun i dom -> + let prev = c.ports.[if i = 0 then c.ports.Length-1 else i-1] + let next = c.ports.[if i = c.ports.Length-1 then 0 else i+1] + port i prev dom next) + /// This function draws a straight edge between two sites. I don't know in which cases this is supposed to happen, if any. + let edge (i, j) = + let x1, y1 = i |> float |> pos + let x2, y2 = j |> float |> pos + sprintf "" x1 y1 x2 y2 + /// This would render any remaining circle edges (as straight lines) and gather them in a set of SVG strings, but from what I understand there should never be any circle edges at this stage. I couldn't find any case where this would happen. + let edges_str = c.edges |> Array.map edge + /// This function renders a child circle recursively. It requires the position (in site index units) of the attachment point, the domain that connects the circles, and the child circle itself. Note that at this stage the child circle is already centered at the correct distance from the origin (i.e. the parent). + let child (i, b:svg_domain, ch) = + /// The Cartesian coordinates of the attachment point position. + let x, y = i |> float |> pos + /// The angle of the attachment point position, in radians. + let v = a * float i + c.angle + da + /// The rotation of the label text, in degrees. + let r = v * 360.0 / twopi + let dx = xing_side_length b / 4.0 + // Add the labels for the connecting domain, then add the recursively generated circle (giving it the angular and Cartesian deltas required to transform it back into top-level space). + [ sprintf "%s" (dom_class b) x y r x y dx b.text + ; sprintf "%s" (dom_class b) x y (r+180.0) x y dx b.compl.text + ; convert (c.angle + da) (transform c.center) ch ] + |> String.concat "\n" + let children_str = c.children |> List.map child |> Array.ofList + [| port_str; edges_str; children_str |] |> Array.concat |> String.concat "\n" + // Recursively convert the circle, bracket it with an SVG element, add style, scale and size. + c |> convert 0.0 (0.0, 0.0) |> sprintf "\n\n\n%s\n\n" (width*scale) (height*scale) style scale + +// The following functions are used to convert a strand graph object into the initial circle. + +type port = {strand:int;site:int} +type edge = (port*port) + +/// Converts the edges to their representation in a global sequence made by arranging all strands one after the other. In this representation, an edge is an int couple where each int is the index of a site in the global sequence, and the two sites match. Returned edges are reverse-ordered by the position of their lowest-index site (e.g. [(9,12),(5,8),(1,4)]). +let get_edges (S:StrandC[]) (E:Set) = + /// The offsets array. This maps each strand (by index) to its starting position in a sequence of all sites, plus holes between strands (e.g. if S contains three strands, respectively made of 2, 3 and 2 sites, then the offsets array is [0,3,7]). + let offsets = Array.init S.Length (fun i -> if i = 0 then 0 else i + (S.[0..i-1] |> Array.map(fun s -> s.Length) |> Array.sum)) + //S + //|> Seq.fold (fun (n,l) st -> (n+1, (n,1+st.Length)::l)) (1,[0,0]) + //|> snd + //|> Map.ofSeq + /// Maps a port (i.e. an int*int where the first item is the strand index and the second is the site index within the strand) to a port in the global sequence (i.e. an int). + let port_map (a,b) = offsets.[a] + b + /// Maps an edge (i.e. a couple of ports) to an edge in the global sequence (i.e. two ints that are the indexes of two matching sites in the global sequence). + let edge_map (a,b) = port_map a, port_map b + + E + |> Set.toArray + |> Array.map(fun (p,p') -> (p.strand, p.site), (p'.strand, p'.site)) + |> Seq.map edge_map + // I now have the edges as represented in the global sequence. + |> Seq.map sort_e + |> Seq.toArray + // I now have the edges in the global sequence, normalized so that the lowest index site is always first. + // I will reverse sort them on the first site. + |> Array.sortWith (fun (a1,b1) (a2,b2) -> a2-a1) //ensure right-neighbours are taken first + +/// Reorders the set of strands (with corresponding edges) according to the order supplied (the input order array must be a permutation of 0..S.Length-1). Returns the reordered set of strands, and the edges as represented in the global sequence. +let reorderBy (order:int[]) (S:StrandC[]) (E:Set) = + /// The order is a map from a strand's index in the old array, to the strand's index in the new array. + /// The strands array, reordered according to the specified order. + let S' = Array.zeroCreate S.Length + Array.iteri (fun i v -> Array.set S' v S.[i]) order + //let S' = [|0..S.Length-1|] |> Array.map(fun i -> S.[order.[i]]) + /// The edges, changed so that they refer to the correct strands in the reordered strands array. + let E' = + E + |> Set.map(fun (p,p') -> + {p with site = p.site; strand = order.[p.strand]}, + {p' with site = p'.site; strand = order.[p'.strand]}) + S', get_edges S' E' + +/// Returns a permutation of the strands array that avoids pseudoknots. Returns the reordered set of strands, and the edges as represented in the global sequence. +let find_perm (S:StrandC[]) (E:Set) = + + /// Takes an element and a list. Returns the set of all lists generated by inserting that element at each possible position within the list. + let distrib e L = + let rec aux pre post = + seq { + match post with + | [] -> yield (L @ [e]) + | h::t -> yield (List.rev pre @ [e] @ post) + yield! aux (h::pre) t + } + aux [] L + + /// Takes a list of objects, returns a set of lists that are all possible permutations of the original list. + let rec perms = function + | [] -> Seq.singleton [] + | h::t -> Seq.collect (distrib h) (perms t) + + /// Returns true if the edges would cross. We call this situation a pseudoknot. Pseudoknots cannot be rendered by this algorithm. + let pseudoknot (e1,e1') (e2, e2') = + (e1>e2 && e1e2'||e1'e2 && e1'e2'||e1 perms + |> Seq.map(fun l -> 0::l |> List.toArray) + |> Seq.map(fun order -> reorderBy order S E) + // Now I have the set of all possible ways to reorder the strands; for each of these orderings, I also have the set of edges, expressed as couples of ints where each int is the index of a site in the sequence formed by arranging the strands one after the other in the specified order. I search this set for an ordering that has no pseudoknots. + |> Seq.tryFind(fun (_, E') -> + E'|> Seq.forall (fun e -> + E' |> Seq.forall(fun e' -> not (pseudoknot e e' || pseudoknot e' e)))) + +/// Returns the circle made of all the domains in all the strands in the given species. This circle will then require collapsing. +let make_base_circle (ports:svg_domain[]) (edges:(int*int)[]) = + { center = (0.0, 0.0) + ; angle = 0.0 + ; radius = ports |> circle_radius + ; ports = ports + ; children = [] + ; edges = edges + } + +/// Converts a species in an uncollapsed circle representation. Requires the strands and the species (only the strand graph of the species is actually used). +let from_logic_dsd (l:RulesDSD.Syntax.Process) : circle = + let c = Microsoft.Research.DNA.LogicDSD.to_concrete_process l + + /// Most of the algorithms here operate on the assumption that bonds are represented as edges, which are couples of ports (where a port is a position in a strand). In a ProcessC object, there isn't the notion of a port; rather, each site can have a bond ID associated to it. This function converts from the bond ID representation to the edges representation. + let map_strand_bonds_to_edges (existing:Map) (strand_idx:int,strand:StrandC) = + let map_site_bond_to_edge (existing:Map) (site_idx:int,site:SiteC) = + match site with + | UnboundC _ -> existing + | BoundC (_,b:int) -> + match Map.tryFind b existing with + | None -> + Map.add b ({strand=strand_idx;site=site_idx},{strand=0;site=0}) existing + | Some (from,_) -> + Map.add b (from,{strand=strand_idx;site=site_idx}) existing + List.mapi (fun i site -> i,site) strand |> List.fold map_site_bond_to_edge existing + let bonds_as_edges = List.mapi (fun i strand -> i,strand) c |> List.fold map_strand_bonds_to_edges Map.empty + + /// The strands and edges, rearranged so that there are no pseudoknots (if possible). The edges will be remapped so that their sites are indexes in the global sequence (all the strands one after the other, with holes between strands). + let S, E = + let SS = c |> List.toArray + let EE = bonds_as_edges |> Map.toSeq |> Seq.map (fun (_,v) -> v) |> Set.ofSeq + match find_perm SS EE with + | Some (a,b) -> a,b + | None -> failwith "Cannot visualize pseudoknot" + + /// The global sequence. This is a sequence of sites (in the form of svg_domain objects) which corresponds to all the strands aligned one after the other, in the order determined above. A 'hole' domain is inserted after each strand, making the total length of the sequence equal to the sum of all domains, plus number of strands. + let ports = + S + |> Array.fold (fun acc st -> + let d = + st + |> List.map (fun s -> match s with | BoundC (d,_) -> d | UnboundC d -> d) + |> List.map (fun d -> Domain d) + |> List.rev + Hole::d@acc) List.empty + |> List.rev + |> List.toArray + + make_base_circle ports E + +let from_domains (doms:Domain.t list) = + let map_domain (dom:Domain.t) = + { name = Domain.get_name (Domain.unstar dom) + isComplementary = Domain.is_complemented dom + isToehold = Domain.is_toehold dom + tag = NoTagC } + |> Domain + List.map map_domain doms + +let from_strand (strand:Strand.t) = + let domains = match strand with + | Strand.Upper s -> from_domains s + | Strand.Lower s -> from_domains s |> List.rev + let domains = Hole::domains + make_base_circle (Array.ofList domains) [||] + +/// Converts a Classic DSD segment in a circle. +let from_segment (segment:Segment.t) = + match segment with + | Segment.Double (lb,lt,s,rt,rb) -> + let top = from_domains (lt @ s @ rt) + let bottom = from_domains (lb @ (List.map (fun d -> Domain.complement d) s) @ rb) |> List.rev + let domains = Hole::top@Hole::bottom + let edges = [1..s.Length] |> List.map (fun i -> (i+lt.Length,domains.Length-i-lb.Length)) + make_base_circle (Array.ofList domains) (Array.ofList edges) + | Segment.Hairpin (ob,ot,s,hp,side) -> + match side with + | Segment.Left -> + let domains = from_domains ((List.rev ob) @ (List.map (fun d -> Domain.complement d) s |> List.rev) @ (List.rev hp) @ s @ ot) + let domains = Hole::domains + let edges = [1..s.Length] |> List.map (fun i -> (i+ob.Length,domains.Length-i-ot.Length)) + make_base_circle (Array.ofList domains) (Array.ofList edges) + | Segment.Right -> + let domains = from_domains (ot @ s @ (List.rev hp) @ (List.map (fun d -> Domain.complement d) s |> List.rev) @ (List.rev ob)) + let domains = Hole::domains + let edges = [1..s.Length] |> List.map (fun i -> (i+ot.Length,domains.Length-i-ob.Length)) + make_base_circle (Array.ofList domains) (Array.ofList edges) + +let from_gate (gate:Gate.t) = + let lower_join_circles (circles:circle list) : circle = + /// Bottom-fuses two circles. The last strand of each circle is bottom, and edges are in the form (top,bottom). + let fuse (left:circle) (right:circle) : circle = + let left_fuse_point = Array.findIndexBack (fun (d:svg_domain) -> d = svg_domain.Hole) left.ports + let (left_top, left_bottom) = List.splitAt left_fuse_point (left.ports |> List.ofArray) + let right_fuse_point = Array.findIndexBack (fun (d:svg_domain) -> d = svg_domain.Hole) right.ports + let (right_top, right_bottom) = List.splitAt right_fuse_point (right.ports |> List.ofArray) + let bottom = right_bottom@(left_bottom.Tail) + let domains = left_top @ right_top @ bottom + // The indexes within edges in the left circle are shifted if they are after the fuse point. + let left_edges = + let shift = right_top.Length+right_bottom.Length-1 + left.edges |> Array.map (fun (top,bottom) -> (if top < left_fuse_point then top else top+shift),(if bottom < left_fuse_point then bottom else bottom+shift)) + // The right circle always remains contiguous, so edges from the right circle are always shifted. + let right_edges = + let shift = left_top.Length + right.edges |> Array.map (fun (top,bottom) -> (top+shift,bottom+shift)) + let edges = Array.concat [left_edges;right_edges] + make_base_circle (Array.ofList domains) edges + List.fold fuse circles.Head circles.Tail + let upper_join_circles (circles:circle list) : circle = + /// Top-fuses two circles. The last strand of each circle is bottom. + let fuse (left:circle) (right:circle) : circle = + let left_fuse_point = Array.findIndexBack (fun (d:svg_domain) -> d = svg_domain.Hole) left.ports + let (left_top, left_bottom) = List.splitAt left_fuse_point (left.ports |> List.ofArray) + let right_all = List.ofArray right.ports + let domains = left_bottom @ left_top @ (right_all.Tail) + // The indexes within edges in the left circle are shifted forward if they are before the fuse point, and shifted backwards if they are after the fuse point. + let left_edges = left.edges |> Array.map (fun (top,bottom) -> (if top < left_fuse_point then (top+left_bottom.Length) else (top-left_top.Length)),(if bottom < left_fuse_point then (bottom+left_bottom.Length) else (bottom-left_top.Length))) + // The right circle always remains continguous, so edges from the right circle are always shifted. + let right_edges = + let shift = left.ports.Length-1 + right.edges |> Array.map (fun (top,bottom) -> (top+shift,bottom+shift)) + let edges = Array.concat [left_edges;right_edges] + make_base_circle (Array.ofList domains) edges + List.fold fuse circles.Head circles.Tail + List.map (fun segments -> segments |> List.map from_segment |> lower_join_circles) gate |> upper_join_circles + +let arrange_origami style (origami:Origami.t) = + let origami_sep = { Microsoft.Research.CRNEngine.Svg.x = 16.0; Microsoft.Research.CRNEngine.Svg.y = 16.0 } + let species_skip = 10.0 + let letter_width = 8.0 + let origami_round = 32.0 + let parts = origami |> List.map (fun el -> match el with Origami.C_strand s -> from_strand s | Origami.C_gate g -> from_gate g) |> List.map collapse_circle |> List.map into_view + let to_box (circle,width,height) : Microsoft.Research.CRNEngine.Svg.box = + { box_group = { name = "" + ; content = circle_to_svg "" 1.0 (circle,width,height) |> Microsoft.Research.CRNEngine.Svg.Raw + ; anchors = [] + ; debug_anchors = false + ; sub_groups = [] + ; offset = None + } + ; box_dim = { x = width; y = height } } + let b = parts |> List.map to_box |> Microsoft.Research.CRNEngine.Svg.stackv origami_sep species_skip + let border_label = "" in + let border_inset = (String.length border_label |> float) * letter_width / 2.0 in + let border_offset = { Microsoft.Research.CRNEngine.Svg.x = 2.0; Microsoft.Research.CRNEngine.Svg.y = 2.0 } in + let border_dim = b.box_dim |> Microsoft.Research.CRNEngine.Svg.translate_point_by (border_offset |> Microsoft.Research.CRNEngine.Svg.scale_by -1.0) in + let border = { Microsoft.Research.CRNEngine.Svg.path_class = "svgdsd origami-border" |> Some + ; Microsoft.Research.CRNEngine.Svg.commands = Microsoft.Research.CRNEngine.Svg.rounded_box border_offset border_dim origami_round + ; Microsoft.Research.CRNEngine.Svg.path_label = { Microsoft.Research.CRNEngine.Svg.label_text = border_label + ; Microsoft.Research.CRNEngine.Svg.label_anchor = Microsoft.Research.CRNEngine.Svg.sub b.box_dim origami_sep |> Microsoft.Research.CRNEngine.Svg.translate_point_by { x = -border_inset; y = 0.0 } + ; Microsoft.Research.CRNEngine.Svg.label_class = Some "svgdsd" + ; Microsoft.Research.CRNEngine.Svg.letter_width = Microsoft.Research.CRNEngine.Svg.default_letter_width + ; Microsoft.Research.CRNEngine.Svg.label_dir = Microsoft.Research.CRNEngine.Svg.sub b.box_dim origami_sep |> Microsoft.Research.CRNEngine.Svg.translate_point_by { x = -border_inset; y = 0.0 } } + |> Some } + let g = {b.box_group with content = Paths [border]} + let box = Microsoft.Research.CRNEngine.Svg.emerge_groups [g] + Microsoft.Research.CRNEngine.Svg.to_string_normalise false style box + +let species_to_svg_circles style (proc:Species.t) = + match proc with + | UNKNOWN unknown -> + let g = { Microsoft.Research.CRNEngine.Svg.name = unknown + Microsoft.Research.CRNEngine.Svg.content = Microsoft.Research.CRNEngine.Svg.Raw unknown + Microsoft.Research.CRNEngine.Svg.anchors = [] + Microsoft.Research.CRNEngine.Svg.debug_anchors = false + Microsoft.Research.CRNEngine.Svg.sub_groups = [] + Microsoft.Research.CRNEngine.Svg.offset = None } + let box = Microsoft.Research.CRNEngine.Svg.emerge_groups [g] + Microsoft.Research.CRNEngine.Svg.to_string_normalise true style box + | STRAND strand -> + from_strand strand |> collapse_circle |> into_view |> circle_to_svg style 1.0 + | GATE gate -> + from_gate gate |> collapse_circle |> into_view |> circle_to_svg style 1.0 + | ORIGAMI origami -> + arrange_origami style origami + | LogicDsdProcess proc -> + from_logic_dsd proc |> collapse_circle |> into_view |> circle_to_svg style 1.0 diff --git a/ClassicDSD/ClassicDSDDotNet/circlesrenderer.fsi b/ClassicDSD/ClassicDSDDotNet/circlesrenderer.fsi new file mode 100644 index 0000000..903bbe7 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/circlesrenderer.fsi @@ -0,0 +1,3 @@ +module Microsoft.Research.DNA.CirclesRenderer + +val species_to_svg_circles : string -> Species.t -> string \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/defaultDatabase.fs b/ClassicDSD/ClassicDSDDotNet/defaultDatabase.fs new file mode 100644 index 0000000..f38168e --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/defaultDatabase.fs @@ -0,0 +1,3006 @@ +[] +module Microsoft.Research.DNA.DefaultDatabase + +let toeholds = "TATTCC +GCTA +GTCA +TACCAA +CATCG +ACTACAC +CTCAG +CTCAATC +CCTACG +TCTCCA +CCCT +GACA +ACCT +TAGCCA +CACACA +AGAC" +let specificities = "CCCAAAACAAAACAAAACAA +CCCTTTTCTAAACTAAACAA +CCCTTTACATTACATAACAA +CCCTTATCATATCAATACAA +CCCTTAACTTAACAAATCTA +CCCTATTCAATTCAAATCAA +CCCTATACTATACAATACTA +CCCTAATCTAATCATAACTA +CCCTAAACTTATCTAAACAT +CCCATTTCAAATCAAAACTT +CCCATTACTAATCAATTCAA +CCCATATCTATACATTACAA +CCCATAACTATTCTAAACTA +CCCAATTCTTAACATATCAA +CCCAATACTATTCATAACAT +CCCAAATCTTAACTATACTA +CCTATACCTTAACTTAACAA +CCATATCCATAACTTTACAA +CCATAACCTATACTTATCAA +CCATTTCCTTTTCTTAACTA +CCATTACCATATCTTATCAT +CCAAAACCATAACATAACTT +CCAATTCCAAAACTTATCTA +CCAATACCATTACTATTCAA +CCTTAACCTTTACTTTACTT +CCTTTTCCTAATCTTTACAT +CCTTTACCAAAACATTTCAA +CCTAATCCTTATCATTACTA +CCTATTCCTTTACAAATCAT +CCAAAACAAAACCTATACAA +CCTTTACATAACCTAATCAA +CCTTATCTAAACCAATACAT +CCTTATCAATACCTATTCTA +CCTTAACAAATCCAAAACTA +CCTATTCAAATCCTTTTCAA +CCTATACAATACCATTACAT +CCTAAACTTATCCTATTCAT +CCTAAACATTACCTAAACTT +CCATTACTTAACCTTTACTA +CCATAACAATTCCAATTCAT +CCAATTCATAACCAAAACAT +CCAATACTAATCCAATACTT +CCAAATCTTAACCAATTCTA +CCAAATCAATTCCTTAACAT +CCATATCAAAACAAAACCAA +CCTATACTAAACTAAACCAA +CCTAATCTTTACATAACCAA +CCTAATCATATCTATACCAA +CCTTTTCTTATCAAATCCAA +CCTTTTCATTACAATACCTA +CCTTAACTATTCAATACCAA +CCAATACAAATCATAACCTA +CCAATTCTATACAATTCCAA +CCAAAACTAAACATTACCAT +CCATTACATTACTAATCCAA +CCATTTCTATTCTTAACCAA +CCATATCTTATCTAAACCTT +CCTTTACTTTACAAAACAAC +CCATAACTATACTTATCAAC +CCATTTCAATTCAAATCAAC +CCTATTCTAATCAATACAAC +CTTAACCCAAATCTAATCTA +CAATACCCATATCATATCTA +CAAATCCCAATTCTATTCTT +CATTACCCTATTCTTTTCTA +CATAACCCTAAACAATTCTT +CTTTTCCCAATACTAATCAT +CTTATCCCATTTCATTTCTA +CTTTACCTATACCAAATCTT +CTTATCCTAAACCTTAACTT 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+CCCTAACACCACCTCTACAC +CCCATACACCACTCCACTAC +CATTCCCTCCACCTCACCTA +CTTCCCTACTCCCATCCCAT +CATCCCTACACCCTTCTACC +CTTCCAACCCTCTACTACCC +CATCCTTCCCACTTCCACCA +TTCCCTTCCCTCCTCCCATT +CAACCCTTCCTCTCCATCAC +CAACCCATCTCCCACTTCAC +CCATCATCCCACTCCCACTA +CATCCATCCCTCACACCCTA +CATCCTACCCTCACCACACA +TTCCACCATCCCATCCCTCA +AACCTCCAACCCTACCCTCA +CAACCTCCCTTCTCCACAAC +CATCACCTCCATCCCTACCA +ATCCACTCCCAACCCTCCAA +TTCCCTCTCACCCATACTCC +CTACACACCACCCTACCTAC +TTCACTCCCTCCCTACCATC +CTTCCTCTCTCCCAACACAC +CAACTCCACACCCATCCACA +CATCACTCCTCCAACCCTCA +AACTCACCCACCCAACTCAC +CTTCTCCACCTCCACTATCC +CTACCTCTCCTCCTCAACAC +CATCCACACTCCACCTACAC +CTACCACTCACCACCAACTC +ATCCCACACACCTCCTTCAC +CATCACCACCCTCCTCTCTA +CAACTCCTCCCTCCACACTT +CAACACCTCCTCTCACCTAC +ATCCACCACCTCTCCTCTAC +CAACCACTCTCCTCCACTCA +ATCCACCTCTCCACCACTCA +TACTCCACACCCTCCACACA +TCCCTAACCTCCTTCCCATC +CCACAATCCACCCACTACAC +TCATACCCTCCCTCCTACCT +ACATACCCACCTCCTACCCA +CCACATTCACCCACCTCAAC +CTCCCAAACACCCTCTCAAC +CACCCATTCACCACTCCAAC +CACCAATCCTCCCTCACTAC +CTCAATCCCTCCTCCCTCAT +ACCCTTTCCCACACTCCTAC +ACAATCCCACCCTCACCAAC +CACCCTTACTCCCTCTCTCA +CACAACACCCACAACCTCCT +CTCTTCCTCCCACTCAATCC +ACCAACCACACCACCCATTC +CTCTTCCACTCCCACCTACT +CTCATCCTCCTCCCACTCAT +CTCTTCACCTCCCACACTAC +ACCCTTCTCCTCACCCTCAT +TCCAACACTCCCACACCTAC +TCTTCTCCACACCCTCCCTA +CTCATCTCCTCCTCACCTCA +ACCTCTAACCCACCCTTCCA +TCCTCAATCCCACCCACCTA +ACCACTTACCCACCACCTAC +ACACCAACCCACCAATCTCC +TCTCCCTTCCCTCAACCCAT +CACTCTTCCACCCTCCTACT +CTCCTCTACCCTCTCCTCTT +ACACTACTCCCTCACCCACA +CTACCCTCCTTCCCATCCCA +CTACCACCCTTCCTCCCTAC +CATCCACTCCACCCATCCAC +CAACTCACCCACCTCCCAAC +CCAACTCACCACCCTCACCA +CTACACTCCCTCTCCCACCA +CTACTCACCACCACCTCCCA +CTCCTATCCACCATCCCACC +CACATTCCCTCCACCCAACC +TCCATACCCACCTCCACCCA +CACCAACCCACTCCTCAACC +TCTACACCTCCCACCCTACC +TCCACCAACCCTCCCAACCA +TCCTCCTTCACCCACCCAAC +CTCTCTCTCCCTACCCATCC" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/domain.fs b/ClassicDSD/ClassicDSDDotNet/domain.fs new file mode 100644 index 0000000..2866db5 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/domain.fs @@ -0,0 +1,551 @@ +[] +module Microsoft.Research.DNA.Domain +open Microsoft.Research.DNA + +module Lib = Microsoft.Research.CRNEngine.Lib +module Prim = Microsoft.Research.CRNEngine.Expression +module Stringmap = Microsoft.Research.CRNEngine.Stringmap +module Hashtable = Microsoft.Research.CRNEngine.Hashtable + +type prim = Microsoft.Research.CRNEngine.Expression.t + +(* A domain is the basic building block of a DNA sequence *) +type value = Value.t +type value_env = Value.t_env +type match_env = (string * bool) Stringmap.t +type tag = string * float +type tether = (tag list * int) option +type t = + | Toe of value*value*bool*tether + | Normal of value*bool*tether + +(* Mapping list of domains to the domain they become when concatenated *) +type sub_map = Microsoft.Research.CRNEngine.Hashtable.t + +(* Complement a domain. *) +let complement = function Toe(v,r,cmp,teth) -> Toe(v,r,(not cmp),teth) | Normal(v,cmp,teth) -> Normal(v,(not cmp),teth) + +(* Put a "star" onto a domain. *) +let star = function Toe(v,r,_,teth) -> Toe(v,r,true,teth) | Normal(v,_,teth) -> Normal(v,true,teth) + +(* Remove any "star" from a domain. *) +let unstar = function Toe(v,r,_,teth) -> Toe(v,r,false,teth) | Normal(v,_,teth) -> Normal(v,false,teth) + +let get_value = function Toe(v,_,_,_) | Normal(v,_,_) -> v + +(* Is a given domain complemented? *) +let is_complemented = function Toe(_,_,cmp,_) | Normal(_,cmp,_) -> cmp + +(* Is a given domain tethered to an origami?*) +let is_tethered = function Toe(_,_,_,Some (_,i)) | Normal(_,_,Some (_,i)) -> true (*i > -2*) | _ -> false + +let get_tags = function + | Toe(_,_,_,Some (t, _)) + | Normal(_,_,Some (t, _)) -> Some t + | _ -> None + +let get_tethered_tags = function + | Toe(_,_,_,Some(t,n)) + | Normal(_,_,Some(t,n)) when n >= 0 -> Some t + | _ -> None + +let tags_intersect to1 to2 = + match to1, to2 with + | Some t1, Some t2 -> Some (Lib.intersection (=) t1 t2) + | _ -> None + +let rec tags_in_common_list = function + | [] -> None + | [d] -> get_tags d + | d::ds -> tags_intersect (get_tags d) (tags_in_common_list ds) + +let all_gotten_tags_list get l = + let combine a b = + match a, get b with + | Some la, Some lb -> Some (Lib.union (=) la lb) + | Some l, None | None, Some l -> Some l + | _ -> None in + Lib.fold_left combine None l + +let all_tags_list l = all_gotten_tags_list get_tags l + +let all_tethered_tags_list l = all_gotten_tags_list get_tethered_tags l + +let set_tags ts d = + match d, ts with + | Toe (v,r,c,Some (_,-2)), None -> Toe (v,r,c,None) + | Toe (v,r,c,Some (_,-2)), Some tags -> Toe (v,r,c, Some (tags,-2)) + | Toe (v,r,c,None), Some tags -> Toe (v,r,c,Some (tags,-2)) + | Normal (v,c,Some (_,-2)), None -> Normal (v,c,None) + | Normal (v,c,Some (_,-2)), Some tags -> Normal (v,c,Some (tags,-2)) + | Normal (v,c,None), Some tags -> Normal (v,c,Some (tags,-2)) + | _ -> d + +let set_tags_list ts l = List.map (set_tags ts) l + +let add_tags ts d = + match d, ts with + | _, None -> d + | Toe (v,r,c,None), Some tags -> Toe (v,r,c,Some (tags,-2)) + | Normal (v,c,None), Some tags -> Normal (v,c,Some (tags,-2)) + | Toe (v,r,c,Some (ts1,-2)), Some tags -> Toe (v,r,c,Some (Lib.union (=) ts1 tags,-2)) + | Normal (v,c,Some (ts1,-2)), Some tags -> Normal (v,c,Some (Lib.union (=) ts1 tags,-2)) + | _ -> d + +let add_tags_list ts l = List.map (add_tags ts) l + +(* Given two domains, are they the complements of each other? *) +(*AP relaxed the constraint that degree of complementarity should be the same *) +let are_complements (d1:t) (d2:t) = + match d1,d2 with + | Toe(v1,_,cmp1,_), Toe(v2,_,cmp2,_) -> (v1=v2) (*&& (r1=r2)*) && ((not cmp1)=cmp2) + | Normal(v1,cmp1,_), Normal(v2,cmp2,_) -> (v1=v2) && ((not cmp1)=cmp2) + | _,_ -> false + +(* Update the tether of a domain *) +let update_tether (d:t) (teth:tether) = + match d with + | Toe(v,r,cmp,_) -> Toe(v,r,cmp,teth) + | Normal(v,cmp,_) -> Normal(v,cmp,teth) + +(* Given two domains, "stick" them together without losing the relevant anchor information *) +(* AP: Assumes that domains are complementary, though this is not checked here *) +let stick (d1:t) (d2:t) = + let bond_tethers (t1:tether) (t2:tether) = + match t1,t2 with + | Some(t1,i1),Some(_,i2) -> Some(t1,Operators.min i1 i2) (* RLP: This should probably not happen, if we use the convention of a special "tether" domain *) + | Some i1,None -> Some i1 + | None,Some i1 -> Some i1 + | _ -> None + in + match d1,d2 with (* Assumes d1 and d2 are identical apart from their tether and degree of complementarity *) + (* Retain degree of complementarity from complementary strand. Seems to require the first domain to be used. *) + | Toe(n1,_,c1,teth1),Toe(_,r2,c2,teth2) -> update_tether (if c2 then (Toe(n1,r2,c1,teth1)) else d1) (bond_tethers teth1 teth2) + (*| Toe(_,_,_,teth1),Toe(_,_,_,teth2)*) + | Normal(_,_,teth1),Normal(_,_,teth2) -> update_tether d1 (bond_tethers teth1 teth2) + | _ -> d1 + +(*Given one 'bonded' domain, unstick into two with appropriate tethers and complements*) +let unstick (d:t) = + match d with + | Toe(n,r,c,teth) -> (* AP: Keep the degree of complementarity only on the complementary toehold *) + if c then d,Toe(n,Value.Float (1.0, None),not c,teth) else Toe(n,Value.Float (1.0, None),c,teth),Toe(n,r,not c,teth) + (*| Toe(_,_,_,teth) *) + | Normal _ -> d, complement d +let unstick_list (ds:t list) = List.unzip (List.map unstick ds) + +(* Same as unstick, but keeps the degree of complementarity; used for SVG rendering purposes *) +let unstick_keep_doc (d:t) = + match d with + | Toe(n,r,c,teth) -> + if c then d,Toe(n,r,not c,teth) else Toe(n,r,c,teth),Toe(n,r,not c,teth) + | Normal _ -> d, complement d +let unstick_keep_doc_list (ds:t list) = List.unzip (List.map unstick_keep_doc ds) + +(* Check two domains for equality, ignoring whether or not they're tethered *) +let equal (d1:t) (d2:t) = + match d1,d2 with + | Toe(v1,r1,cmp1,_), Toe(v2,r2,cmp2,_) -> (v1 = v2) && (r1=r2) && (cmp1=cmp2) + | Normal(v1,cmp1,_), Normal(v2,cmp2,_) -> (v1 = v2) && (cmp1=cmp2) + | _ -> false + +(* Determine if d1 is less than d2 : + all Toeholds are less than all Normal domains + Note: may be better to lexicographically sort based on the nucleotides *) +let compare (d1:t) (d2:t) = + match d1,d2 with + | Toe _,Normal _ -> -1 + | Normal _, Toe _ -> 1 + | Toe(v1,_,c1,_), Toe(v2,_,c2,_) + | Normal(v1,c1,_), Normal(v2,c2,_) -> + let lex = compare (Value.to_string v1) (Value.to_string v2) + if lex=0 then + if c1 && c2 then 0 + else if c1 then 1 else -1 + else + lex + +(*Compare two lists of domains *) +let compare_domains l1 l2 = + let len1, len2 = List.length l1, List.length l2 in + if len1 < len2 then -1 + else if (len1 = len2) + then Lib.fold_right (fun (d1,d2) eq -> if eq=0 then compare d1 d2 else eq) (Lib.zip l1 l2) 0 + else 1 + +let display_doc = function + | Value.Float (1.0,_) -> "" + | Value.Int (1,_) -> "" + | v -> "(" + Value.to_string v + ")" + +let display_doc_picture = function + | Value.Float (1.0,_) -> "" + | Value.Int (1,_) -> "" + | v -> Value.to_string v + +(* Display a domain, ignoring tethering *) +let display_bare_domain (n:t) = + match n with + | Toe(v,r,cmp,_) -> Value.to_string v + "^" + (display_doc r) + (if cmp then "*" else "") + | Normal(v,cmp,_) -> Value.to_string v + (if cmp then "*" else "") + +let display_tag = function + | (s, 1.0) -> s + | (s,f) -> "(" + s + "," + Lib.display_float f + ")" + +let display_tether = function + | None -> "" + | Some (ts,_) -> "(" + String.concat ", " (List.map display_tag ts) + ")" + +(* Display a domain for a picture (no details), showing a tether only when 'teth' is on. *) +let display_picture (n:t) (teth :bool) = + match n with + | Normal(Value.Domain ("tether",_,_,_,_),false,teth) -> (*"tether" +*) display_tether teth + | Toe(v,r,cmp,mt) -> (if teth && Option.isSome mt then "!" else "") + Value.to_string v + (if cmp then "*" + (display_doc_picture r) else "") (* N^c *) + | Normal(v,cmp,mt) -> (if teth && Option.isSome mt then "!" else "") + Value.to_string v + (if cmp then "*" else "") (* N *) + +(* Returns the length in characters of the domain, as if it was complemented. *) +let display_length (n:t) = + match n with + | Normal(Value.Domain ("tether",_,_,_,_),false,teth) -> display_tether teth + | Toe(v,r,cmp,mt) -> (if Option.isSome mt then "!" else "") + Value.to_string v + (display_doc_picture r) + | Normal(v,cmp,mt) -> (if Option.isSome mt then "!" else "") + Value.to_string v + |> String.length + +let display_tether_debug = function + | None -> "" + | Some (ts,i) -> "!<" + string i + ">(" + Lib.string_of_list display_tag "," ts + ")" + +(* String representation of a domain (with details). *) +let display (n:t) = + match n with + | Normal(Value.Variable ("tether",_),false,teth) + | Normal(Value.Domain ("tether",_,_,_,_),false,teth) -> "tether" + display_tether teth + | Toe(v,r,cmp,teth) -> display_tether teth + Value.to_string v + "^" + (display_doc r)(* N^c *) + (if cmp then "*" else "") + | Normal(v,cmp,teth) -> display_tether teth + Value.to_string v + (if cmp then "*" else "") (* N *) + +(* String representation of a sequence of domains. *) +let rec display_sequence (ns:t list) = + match ns with + | [] -> "_" + | [n] -> display n + | n::ns -> display n + " " + display_sequence ns + +let eval_tag (env:value_env) (t:tag) = + let n, f = t + match Value.Variable (n, Types.emprange) |> Value.eval env with + | Value.Domain (tag,_,_,_,_) -> tag, f + | _ -> n, f + +let eval_tether (env:value_env) (t:tether) = + match t with + | None -> None + | Some (ts, i) -> (ts |> List.map (eval_tag env), i) |> Some + +(* evaluate the values in a domain*) +let eval (env:value_env) (n:t) = + match n with + | Toe(v,r,cmp,teth) -> Toe ((Value.eval env v),(Value.eval env r),cmp,teth |> eval_tether env) + | Normal(v,cmp,teth) -> Normal((Value.eval env v),cmp,teth |> eval_tether env) + +(* evaluate the values in a sequence of domains *) +let eval_sequence (env:value_env) (ns:t list) = List.map (eval env) ns + +(* Compute binding rate of a domain. *) +let bind_rate (n:t) = + match n with + | Toe(v,deg,_,_) -> Value.bind_rate v deg + | Normal(v,_,_) -> Value.bind_rate v (Value.Float (1.0, None)) + +let localize_bind_rate (n:t) lc = + match n with + | Toe(Value.Domain(s,i,r,v,a),deg,b,c) -> Toe(Value.Domain(s,i,Prim.mul lc r,v,a),deg,b,c) + | Toe(Value.DomainS(s,i,seq,r,v,a),deg,b,c) -> Toe(Value.DomainS(s,i,seq,Prim.mul lc r,v,a),deg,b,c) + | Normal(Value.Domain(s,i,r,v,a),b,c) -> Normal(Value.Domain(s,i,Prim.mul lc r,v,a),b,c) + | Normal(Value.DomainS(s,i,seq,r,v,a),b,c) -> Normal(Value.DomainS(s,i,seq,Prim.mul lc r,v,a),b,c) + | _ -> failwith "expected domain value" + +(* Compute unbinding rate of a domain. *) +let unbind_rate (n:t) = + match n with + | Toe(v,_,_,_) -> Value.unbind_rate v + | Normal(v,_,_) -> Value.unbind_rate v + +(* Compute free names of a domain. *) +let free_names (n:t) = + match n with + | Toe(v,r,_,_) -> (Value.free_names r) @ Value.free_names v + | Normal(v,_,_) -> Value.free_names v + +let inferType_doc env v = + let t = Value.inferType env v in + match !t with + | Types.FloatT _ -> () + | Types.BottomT -> t:= Types.FloatT (Value.get_range v) + | t -> let descr = "degree of complementarity " + (Value.to_string v) in + Errors.type_error (Value.get_range v) (Errors.WrongType(t,[Types.FloatT(Types.emprange)],descr)) + +(* Infer/check type of a domain, including checking toe usage + May modify ref cells in the enviornment +*) +let inferType in_origami (env:Types.type_env) (n:t) = + (match n with Toe(_,r,_,_) -> inferType_doc env r | _ -> ()); + let v = match n with Toe(v,_,_,_) | Normal(v,_,_) -> v in + let not_in_origami = match in_origami with Some false -> true | _ -> false in + if ((not_in_origami) && is_tethered n) + then Errors.type_error (Value.get_range v) (Errors.TetheredOutside (display n)) + else + let t = Value.inferType env v in + match (!t,n) with + | (Types.DomainT(Some(true),_),Normal _ ) | (Types.DomainT(Some(false),_),Toe _) -> () (*Checks pass*) + | (Types.DomainT(None,_), Normal _) | Types.BottomT,Normal _ -> t:= Types.DomainT(Some(true),Value.get_range(v)) + | (Types.DomainT(None,_), Toe _) | Types.BottomT,Toe _ -> t:= Types.DomainT(Some(false),Value.get_range(v)) + | (Types.DomainT(Some(false),r), Normal _) -> Errors.type_error (Value.get_range(v)) (Errors.ToeInconsistent(r,false)) + | (Types.DomainT(Some(true),r), Toe _) -> Errors.type_error (Value.get_range(v)) (Errors.ToeInconsistent(r,true)) + | (t, Normal _) -> + let descr = "domain " + (display n) + Errors.type_error (Value.get_range v) (Errors.WrongType(t,[Types.DomainT(Some(true),Types.emprange)],descr)) + | (t, Toe _) -> + let descr = "domain " + (display n) + Errors.type_error (Value.get_range v) (Errors.WrongType(t,[Types.DomainT(Some(false),Types.emprange)],descr)) + +(* Get the position of this domain, for error messages *) +let getPosn = function | Toe(v,_,_,_) | Normal(v,_,_) -> Value.get_range v + +(* Reset all positions (needed so positions are irrelevant in simulator etc). *) +let erasePosns = function + | Toe(v,r,cmp,teth) -> Toe(Value.erasePosns v, Value.erasePosns r, cmp,teth) + | Normal(v,cmp,teth) -> Normal(Value.erasePosns v, cmp,teth) + +(* This allows us to track position data through module instantiations etc. *) +let replacePosns (mrs:Types.range Stringmap.t) = function + | Toe(v,r,cmp,teth) -> Toe(Value.replacePosns mrs v, Value.replacePosns mrs r, cmp,teth) + | Normal(v,cmp,teth) -> Normal(Value.replacePosns mrs v, cmp,teth) + +(* Find out the length of a domain (from the supplied defaults). *) +let length (toehold_length:int) (specificity_length:int) = function + | Toe(Value.DomainS(_,_,s,_,_,_),_,_,_) | Normal(Value.DomainS(_,_,s,_,_,_),_,_) -> String.length s + | Toe _ -> toehold_length + | Normal _ -> specificity_length + +(* Does domain d' match the "pattern" d? *) +let matches d d' = + match (d,d') with + | (Normal(Value.Variable("_",_),_,_), _) -> true (* Always match against an underscore wildcard. *) + | (Toe(Value.Variable(x,_),_,cmp,_), Toe(Value.Domain(x',_,_,_,_),_,cmp',_)) (* Ignore the counters on domains and require that complements match. *) + | (Toe(Value.Variable(x,_),_,cmp,_), Toe(Value.DomainS(x',_,_,_,_,_),_,cmp',_)) + | (Normal(Value.Variable(x,_),cmp,_), Normal(Value.Domain(x',_,_,_,_),cmp',_)) + | (Normal(Value.Variable(x,_),cmp,_), Normal(Value.DomainS(x',_,_,_,_,_),cmp',_)) -> x=x' && cmp=cmp' + | (Normal(Value.Domain(x,-1,_,_,_),cmp,_), Normal(Value.Domain(x',_,_,_,_),cmp',_)) | (* These cases occur when plotted species came from a module *) + (Normal(Value.DomainS(x,-1,_,_,_,_),cmp,_), Normal(Value.DomainS(x',_,_,_,_,_),cmp',_)) | + (Toe(Value.Domain(x,-1,_,_,_),_,cmp,_), Toe(Value.Domain(x',_,_,_,_),_,cmp',_)) | + (Toe(Value.DomainS(x,-1,_,_,_,_),_,cmp,_), Toe(Value.DomainS(x',_,_,_,_,_),_,cmp',_)) -> x=x' && cmp=cmp' + | (Normal(Value.Domain(x,i,_,_,_),cmp,_), Normal(Value.Domain(x',i',_,_,_),cmp',_)) | (* These cases occur when plotted species came from a module *) + (Normal(Value.DomainS(x,i,_,_,_,_),cmp,_), Normal(Value.DomainS(x',i',_,_,_,_),cmp',_)) | + (Toe(Value.Domain(x,i,_,_,_),_,cmp,_), Toe(Value.Domain(x',i',_,_,_),_,cmp',_)) | + (Toe(Value.DomainS(x,i,_,_,_,_),_,cmp,_), Toe(Value.DomainS(x',i',_,_,_,_),_,cmp',_)) -> x=x' && i=i' && cmp=cmp' + (* The "closing" code and int->variable conversion in the parser mean that all other possibilities shouldn't match. *) + | (_,_) -> false + +(* Does the list of domains ns' match the "pattern" ns? *) +let matches_list ns ns' = Lib.forall2 matches ns ns' + +let matches_env env d d' = + match d, d' with + | (Toe(Value.Variable(x,_),_,cmp,_), Toe(Value.Domain(x',_,_,_,_),_,cmp',_)) + | (Toe(Value.Variable(x,_),_,cmp,_), Toe(Value.DomainS(x',_,_,_,_,_),_,cmp',_)) + | (Normal(Value.Variable(x,_),cmp,_), Normal(Value.Domain(x',_,_,_,_),cmp',_)) + | (Normal(Value.Variable(x,_),cmp,_), Normal(Value.DomainS(x',_,_,_,_,_),cmp',_)) -> + (match Stringmap.tryFind x env with + | None -> Some (Stringmap.add x (x', cmp <> cmp') env) + | Some (y,c) -> if y=x' && ((cmp <> c) = cmp') then Some env else None + ) + | (Toe(Value.Variable(x,_),_,cmp,_), Toe(Value.Variable(x',_),_,cmp',_)) -> + if x=x' && cmp=cmp' then Some env else None + | _ -> if matches d d' then Some env else None + +let rec matches_list_env env xs ys = Lib.option_and2 matches_env env xs ys + +let is_wildcard = function + | Normal(Value.Variable("_",_),_,_) -> true + | _ -> false + +(* Is a domain a toehold? *) +let is_toehold = function Toe _ -> true | _ -> false + +(* Does a given domain list contain a toehold? *) +let contains_toehold (ds:t list) = List.exists is_toehold ds + +(* Does a given domain list contain the given domain *) +let contains_domain (d : t) (ds: t list) = List.exists (fun d' -> d = d') ds + +let tags_in_common m n = tags_in_common_list [m; n] <> Some [] + +(* +(* Find all complementary toehold matches between a pair of domain lists. Also return the surrounding contexts. *) +(* The returned domains are annotated with the intersection of their tags *) +let matching_toeholds (ns:t list) (ms:t list) : ((t list * (t * t list option) * t list) * (t list * (t * t list option) * t list)) list = + let rec loop acc nsl nsr = match nsr with + | [] -> acc + | ((Normal(_,_,_)) as n)::nsr -> loop acc (nsl@[n]) nsr + | ((Toe(_,_,_,_)) as n)::nsr -> + let rec find acc' msl msr = match msr with + | [] -> acc' + | ((Normal(_,_,_)) as m)::msr -> find acc' (msl@[m]) msr + | ((Toe(_,_,_,_)) as m)::msr -> + if (are_complements m n) && tags_in_common m n + then find (acc'@[msl, m, msr]) (msl@[m]) msr + else find acc' (msl@[m]) msr + in + let acc' = + List.map + (fun (msl,m,msr) -> + let tags = tags_in_common_list [m; n] in + (nsl,set_tags tags n,nsr),(msl,set_tags tags m,msr) + ) + (find [] [] ms) in + loop (acc@acc') (nsl@[n]) nsr + in + loop [] [] ns +*) + +let get_name d = + match get_value d with + | Value.Domain (s, _, _, _, _) + | Value.DomainS (s, _, _, _, _, _) -> s + (if is_complemented d then "*" else "") + | v -> Value.to_string v + +let to_string d = + (match get_value d with + | Value.Domain (s, _, _, _, _) + | Value.DomainS (s, _, _, _, _, _) -> s + | v -> (Value.to_string v)) + + (if is_complemented d then "*" else "") + +let get_sequence d = + match get_value d with + | Value.Domain (_, _, _, _, _) -> "" + | Value.DomainS (_, _, s, _, _, _) -> s + | _ -> "" + +(* +let sub_map = Hashtable.empty () +let _ = Hashtable.add sub_map ["x"; "y"] (Toe (Value.Domain ("sup", 0, BMEValue.Float 42.003, BMEValue.Float 3.0042, Types.emprange), + Value.Float (1.0, Types.emprange), + false, + None)) +*) + +let get_sublists_ctx l = + let a = Array.ofList l in + let n = Array.length a in + let subs ln = + let res = ref [] in + for i = 0 to n-ln do + res := (Array.sub a 0 i, Array.sub a i ln, Array.sub a (i+ln) (n-ln-i))::!res + done; + Lib.rev_map (fun (l,m,r) -> (Array.toList l, Array.toList m, Array.toList r)) !res in + let res = ref [] in + for ln = 1 to n do + res := subs ln :: !res + done; + !res + +let search_sublists_ctx f l = + let rec loop = function + | [] -> [] + | n::ns -> + (match List.collect f n with + | [] -> loop ns + | r -> r) in + loop (get_sublists_ctx l) + +(* Find all complementary toehold matches between a pair of domain lists. Also return the surrounding contexts. *) +(* ns should be part of an upper strand and ms should be part of a lower strand. *) +let matching_toeholds sub_map (ns:t list) (ms:t list) : ((t list * (t * t list option) * t list) * (t list * (t * t list option) * t list)) list = + let get_comp_prefix ns ms = + let rec loop acc = function + | [], ms -> [List.rev acc, ms] + | _, [] -> [] + | (n::ns), (m::ms) -> + if are_complements n m && tags_in_common m n + then loop (m::acc) (ns, ms) + else [] in + loop [] (ns, ms) in + let find (d: t) ns = + let rec loop acc msl msr = (* quadratic for now *) + match msr with + | [] -> acc + | ((Normal _) as m)::msr' -> loop acc (m::msl) msr' + | ((Toe _) as m)::msr' -> + let tls = get_comp_prefix ns msr in + let acc' = + List.map + (fun (found,tl) -> + let d_comp = match found with [m] -> m, None | _ -> complement d, Some found in + (List.rev msl, d_comp, tl)) + tls in + loop (acc@acc') (m::msl) msr' in + loop [] [] ms in + let rec loop acc record nsl nsr = + let expand_finds pre post (d: t, dl: t list option) fs = + List.map + (fun (msl: t list,(m,ml): t*t list option,msr: t list) -> + let tags = tags_in_common_list [m; d] + (nsl@pre,(set_tags tags d, dl),post@nsr),(msl,(set_tags tags m, ml),msr)) + fs in + let search_record = function + | (pre, [d], post) -> expand_finds pre post (d, None) (find d [d]) + | (pre, r, post) -> + let r_names = List.map get_name r in + let r_rot_names = List.map get_name (Lib.rev_map complement r) in + (match Lib.option_or (List.map (Hashtable.tryFind sub_map) [r_names; r_rot_names]) with + | None -> [] + | Some sup_d -> + (match find sup_d r with + | [] -> [] + | cs -> expand_finds pre post (sup_d, Some r) cs + ) + ) in + match nsr with + | [] -> search_sublists_ctx search_record (List.rev record) @ acc + | ((Toe _) as n)::nsr -> loop acc (n::record) nsl nsr + | ((Normal _) as n)::nsr -> + let toes = List.rev record in + let acc = search_sublists_ctx search_record toes @ acc in + loop acc [] (nsl@toes@[n]) nsr + in + loop [] [] [] ns + +(* Find a pair of neighbouring toeholds in a domain list. *) +let neighbouring_toeholds (ns:t list) = + let rec loop ns = + match ns with + | [] -> None + | [_] -> None + | n1::n2::ns -> if (is_toehold n1) && (is_toehold n2) then Some(n1,n2) else loop (n2::ns) + in + loop ns + +(* Finds complemented toe holds on the same strand, and divides the strand into pre toe middle toe* post, for each pair *) +let internal_complements (ns: t list) = + let rec matchings (pre :t list) t acc ns = + match ns with + | [] -> [] + | (Toe _ as tc)::ns -> if (are_complements t tc) + then (List.rev pre,t,List.rev acc,tc,ns)::(matchings pre t (tc::acc) ns) + else matchings pre t (tc::acc) ns + | n::ns -> matchings pre t (n::acc) ns + in + let rec collect_toes ns pre_acc = + match ns with + | [] -> [] + | (Toe _ as t)::ns -> (pre_acc,t,ns)::(collect_toes ns (t::pre_acc)) + | n::ns -> collect_toes ns (n::pre_acc) + in Lib.fold_left (fun l a -> a@l) [] + (List.map (fun (p,t,ns) -> matchings p t [] ns) (collect_toes ns [])) + +(******************************************************************************) +let universal_counters = function + | Toe(v,r,cmp,teth) -> Toe(Value.universal_counters v, Value.universal_counters r, cmp,teth) + | Normal(v,cmp,teth) -> Normal(Value.universal_counters v, cmp,teth) diff --git a/ClassicDSD/ClassicDSDDotNet/domain.fsi b/ClassicDSD/ClassicDSDDotNet/domain.fsi new file mode 100644 index 0000000..f411be1 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/domain.fsi @@ -0,0 +1,70 @@ +module Microsoft.Research.DNA.Domain +open Microsoft.Research.DNA + +module Stringmap = Microsoft.Research.CRNEngine.Stringmap +type prim = Microsoft.Research.CRNEngine.Expression.t + +type value = Value.t +type value_env = Value.t_env +type match_env = (string * bool) Stringmap.t +type tag = string * float +type tether = (tag list * int) option +type t = + | Toe of value*value*bool*tether + | Normal of value*bool*tether +type sub_map = Microsoft.Research.CRNEngine.Hashtable.t + +val complement : t -> t +val star : t -> t +val unstar : t -> t +val get_value : t -> value +val is_complemented : t -> bool +val are_complements : t -> t -> bool +val is_tethered : t -> bool +val tags_in_common_list : t list -> tag list option +val all_tags_list : t list -> tag list option +val all_tethered_tags_list : t list -> tag list option +val get_tags : t -> tag list option +val set_tags : tag list option -> t -> t +val set_tags_list : tag list option -> t list -> t list +val add_tags_list : tag list option -> t list -> t list +val update_tether : t -> tether -> t +val stick : t -> t -> t +val unstick : t -> t*t +val unstick_list : t list -> t list * t list +val unstick_keep_doc : t -> t*t +val unstick_keep_doc_list : t list -> t list * t list +val display_bare_domain : t -> string +val display_picture : t -> bool -> string +val display_length : t -> int +val display : t -> string +val display_sequence : t list -> string +val eval : value_env -> t -> t +val eval_sequence : value_env -> t list -> t list +val bind_rate : t -> prim +val localize_bind_rate : t -> prim -> t +val unbind_rate : t -> prim +val free_names : t -> (Value.name * Value.range) list +val inferType : bool option -> Types.type_env -> t -> unit +val getPosn : t -> Types.range +val erasePosns : t -> t +val replacePosns : Types.range Stringmap.t -> t -> t +val length : int -> int -> t -> int +val equal : t -> t -> bool +val compare : t -> t -> int +val compare_domains : t list -> t list -> int +val matches : t -> t -> bool +val matches_list : t list -> t list -> bool +val matches_list_env : match_env -> t list -> t list -> match_env option +val is_wildcard : t -> bool +val is_toehold : t -> bool +val contains_toehold : t list -> bool +val get_name : t -> string +val get_sequence : t -> string +val to_string : t -> string +val matching_toeholds : sub_map -> t list -> t list -> ((t list * (t * t list option) * t list) * (t list * (t * t list option) * t list)) list +val neighbouring_toeholds : t list -> (t * t) option +val internal_complements : t list -> (t list * t * t list * t * t list) list + +(******************************************************************************) +val universal_counters : t -> t diff --git a/ClassicDSD/ClassicDSDDotNet/dsd.fs b/ClassicDSD/ClassicDSDDotNet/dsd.fs new file mode 100644 index 0000000..8c32726 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/dsd.fs @@ -0,0 +1,1242 @@ +[] +module Microsoft.Research.DNA.Dsd +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine +open RulesDSD.Syntax +open RulesDSD.ProcessEquality +open Microsoft.Research.DNA.LogicDSD + +type value = Expression.t +type expression = Expression.t> +type syntax = Syntax.t + +type dom_colour = + { domain : string + ; colour : string } + +type metadata = + { meta : Sequence.mapping + ; info : Species.t_env + ; domain_colours : Hashtable.t + ; subdomains : Hashtable.t } + +let empty_meta = + let opts = Options.default_options in + { meta = Sequence.initialise_mapping opts + ; info = Species.empty_env 0 + ; domain_colours = Hashtable.empty () + ; subdomains = Hashtable.empty () } + +type term = Crn +type populations = Populations +type reaction = Reaction +type pop_info = Population +type event = Event + +let cle = Microsoft.Research.DNA.LogicDSD.engine +let cle' = { cle with ComposeProcesses = Microsoft.Research.DNA.LogicDSD.logicDsdComposeProcesses true } + +let build_meta opts info env dom_env species = + let subdomains = Hashtable.empty () in + let dom_cols = Hashtable.empty () in + let find n toe = + List.pick + (function + | (Value.Sys(s, d)) -> + if s=n then + if toe then Some (Domain.Toe (d, Domain.value.Float (1.0, Types.emprange), false, None)) + else Some (Domain.Normal (d, false, None)) + else None + | _ -> None) env in + let collect (d: Syntax.dom_assignment) = + (match d.dom_colour with Some c -> Hashtable.add dom_cols d.domain c | None -> ()); + (match d.subdomains with Some (ds,toe) -> Hashtable.add subdomains ds (find d.domain toe) | None -> ()) in + List.iter collect dom_env; + let domains = species |> List.collect Species.domains + { info = info + ; meta = Sequence.add_domains (Sequence.initialise_mapping opts) domains + ; domain_colours = dom_cols + ; subdomains = subdomains } + +let default_namer (opts:Options.t) (species_env:Species.t_env) : (Species.t -> string) = + let cache = new System.Collections.Generic.Dictionary() + let names = new System.Collections.Generic.HashSet() + let namer sp : string = + if cache.ContainsKey sp then + cache.Item sp + else + let sn = Species.try_find_name opts species_env true sp + let name = + match sn with + | Some species_name -> + species_name + | None -> + match sp with + | Species.UNKNOWN species_name -> species_name + | _ -> let mutable unique_name = "" + let mutable c = names.Count + 1 + while unique_name = "" do + if not (names.Contains ("sp" + string c)) then + unique_name <- "sp" + string c + else c <- c + 1 + unique_name + + cache.Add(sp, name); + ignore(names.Add(name)); + name + namer + +let apply_infinite_reactions sub_map opts senv pops = + let upd_pops_meta meta (pops:Populations) = + let fold (acc_pops, acc_meta) (pi: Population) = + let products = + match Species.initial_reactions sub_map opts pi.species with + | [] -> [] + | [ps] -> if pi.initial then List.map (Species.standard_form opts) ps (* RLP: test, initial_reactions should normalize *) + else failwith ("Error: " + (Lib.quote "fast_reactions") + " function has missed an infinite reaction.") + | _ -> if pi.initial then Errors.conflicting_initial_error pi.species + else failwith ("Error: " + (Lib.quote "fast_reactions") + " function has missed some infinite reactions.") in + if products.IsEmpty then (* s stays in the mix *) + Populations.merge Expression.add acc_pops (Populations.create [pi]), acc_meta + else (* products are added instead of s *) + let product_pis = List.map (fun s -> { Population.species = s + ; Population.value = pi.value + ; Population.constant = pi.constant + ; Population.initial = pi.initial (* these should all be initial, but why not be generic *) + ; Population.input = false (* not input, we just built it *) + ; Population.spatial_initial = pi.spatial_initial + ; Population.max = pi.max + }) products in + let new_pops = Populations.merge Expression.add acc_pops (Populations.create product_pis) in + (new_pops, Dsdreaction.new_species_env opts products acc_meta) in + let pis = pops.get_pop_info_list in + List.fold fold (Populations.empty (), meta) pis in + let rec apply_irs meta (pops:Populations) = + let ss = pops.get_calculus_species_list in + let new_pops, new_meta = upd_pops_meta meta pops in + let new_ss = new_pops.get_calculus_species_list in + let _(*seen_ss*), unseen_ss = List.partition (fun s -> List.contains s ss) new_ss in + if unseen_ss.IsEmpty then new_pops (* fix point reached *) + else apply_irs new_meta new_pops in + apply_irs senv pops + +let resolvePlotMissing (env:Syntax.proc_env) (p:Syntax.t_plot_base) : Species.t option = + match p with + | Syntax.t_plot_base.String x -> failwith ("Unexpected plot " + x) + | Syntax.t_plot_base.Molecule m -> Some m + | Syntax.t_plot_base.Module (n, _) -> + // type t_bind = Def of string * parameter list * (value list -> bool) * t + let matches ((Process.t_bind.Def (moduleName, _, _, p) : Process.t_bind)) = + if moduleName = n + then match p with + | Process.Strand (s, _) -> Some (Species.STRAND s) + | Process.Gate (g, _) -> Some (Species.GATE g) + | Process.Origami _ -> failwith <| "Cannot plot uninstantiated origami module " + n + | Process.LogicDsdProcess (pr, _) -> Some (Species.LogicDsdProcess pr) + | Process.Repeat _ + | Process.Instance _ + | Process.Parallel _ + | Process.New _ + | Process.Chemical _ -> None + else None + List.tryPick matches env + +let resolvePlot (env:Process.species_env) (p:Syntax.t_plot_base) : Species.t option = + match p with + | Syntax.t_plot_base.String x -> failwith ("Unexpected plot " + x) + | Syntax.t_plot_base.Molecule m -> Some m + | Syntax.t_plot_base.Module (n, _) -> + let speciesAndInfo = Stringmap.tryFind n (fst env) + match speciesAndInfo with + | Some moduleInstances -> let zz = + moduleInstances + |> List.map (fun (sp, _,_,_,_,_) -> sp ) + |> Seq.distinct + |> Seq.filter (fun sp -> let e = match snd env with | Species.t_disp.Names (e, x) -> e + let r = Stringmap.find (sp |> Species.display) e + r = n) + |> Seq.toList + match zz with + | [sp] -> Some sp + | [] -> None + | _ -> failwith ("Module \"" + n + "\" produces two or more species, but only one species can be plotted") + | None -> None + + +type ClassicBundle = + { settings : Crn_settings>> + ; meta : metadata + ; sreactions : Process.sreaction list + ; initials : Initial list + ; dsdOptions : Options.t} + +type RulesBundle = + { settings : Crn_settings>>> + ; initials : Initial, Expression.t> list + ; reactions : Reaction + , Expression.t + , Expression.t>>> list + ; plotsCache : System.Collections.Generic.Dictionary,string> + ; dsdOptions : Options.t + ; rules : RulesProgram } + +type LogicBundle = + { settings : Crn_settings>>> + ; initials : Initial, Expression.t> list + ; reactions : Reaction + , Expression.t + , Expression.t>>> list + ; plotsCache : System.Collections.Generic.Dictionary,string> + ; dsdOptions : Options.t + ; rules : RulesProgram } + +type bundle = + | ClassicDSD of ClassicBundle + | Rules of RulesBundle + +let get_options b = match b with ClassicDSD b -> b.dsdOptions | Rules b -> b.dsdOptions +let set_options b o = match b with ClassicDSD b -> ClassicDSD {b with dsdOptions = o} | Rules b -> Rules {b with dsdOptions = o} + +let toLogicDomain (d:Domain.t) : Microsoft.Research.DNA.LogicDSD.Domain = + let makeName n i = if i <= 0 then n else sprintf "_%s_%i"n i + match d with + | Domain.t.Normal(Value.DomainS(n,i,_,_,_,_), b, _) // we ignore information associated with the domain other name and complement + | Domain.t.Normal(Value.Domain (n,i,_,_,_), b, _) -> {name = makeName n i + isToehold = false + isComplementary = b + tag = NoTag } + | Domain.t.Normal(Value.Variable(n,_) , b, _) -> {name = n + isToehold = false + isComplementary = b + tag = NoTag } + | Domain.t.Toe(Value.Variable(n,_), c, b, _) -> {name = n + isToehold = true + isComplementary = b + tag = match c with + | Domain.value.Float (x,_) -> if x <> 1.0 then Term.Func ("complementarity", [Term.Float x]) |> Tag else NoTag + | Domain.value.Variable (x,_) -> Term.Func ("complementarity", [Term.Const x]) |> Tag + | _ -> NoTag } + | Domain.t.Toe(Value.DomainS(n,i,_,_,_,_), c, b, _) + | Domain.t.Toe(Value.Domain(n,i,_,_,_), c, b, _) -> {name = makeName n i + isToehold = true + isComplementary = b + tag = match c with + | Domain.value.Float (x,_) -> if x <> 1.0 then Term.Func ("complementarity", [Term.Float x]) |> Tag else NoTag + | Domain.value.Variable (x,_) -> Term.Func ("complementarity", [Term.Const x]) |> Tag + | _ -> NoTag } + | _ -> failwith "Conversion failed." + +let toUnboundSite (d:Domain.t) : Microsoft.Research.DNA.LogicDSD.SiteT = d |> toLogicDomain |> Dom |> Unbound |> Site +let logicComplement (d: Microsoft.Research.DNA.LogicDSD.Domain) = { d with isComplementary = not d.isComplementary } + +type FlatGate = SJoinTop of Segment.t * FlatGate + | SJoinBottom of Segment.t * FlatGate + | SEndWith of Segment.t + + +let flattenGate (g:Gate.t) (*st: FlatGate option*) : FlatGate = + let rec flGate gate = + match gate with + | [] + | []::_ -> failwith "Unexpected empty strand in Classic to Logic DSD translation." + | [[s]] -> SEndWith s + | [s::rest] -> let restGate = flGate [rest] + SJoinBottom (s, restGate) + | [s]::rest -> let restGate = flGate rest + SJoinTop (s, restGate) + | (s::rest1)::rest2 -> let restGate = flGate (rest1::rest2) + SJoinBottom (s, restGate) + + // reverse the gate, and start flattening from the end + let g' = g// |> List.map List.rev // |> List.rev + flGate g' + + + +type IntermediateStrand = Single of RulesDSD.Syntax.Strand + | Double of RulesDSD.Syntax.Strand * RulesDSD.Syntax.Strand +let toLogicProcess (g:FlatGate) : RulesDSD.Syntax.Process = + let counter = ref 0 + let toStrand : Domain.t list -> Strand = + List.map (toLogicDomain >> Dom >> Unbound >> Site) + + let toDoubleStrand (s:Domain.t list) : Strand * Strand = + s + |> List.fold (fun (top, bot) d -> + let d' = toLogicDomain d + let d'' = logicComplement d' + let newBond = Bond !counter + counter := !counter + 1 + let sTop = SiteT.Site (Site.Bound (Dom d', newBond)) + let sBottom = SiteT.Site (Site.Bound (Dom d'', newBond)) + sTop::top, sBottom :: bot + ) ([], []) + |> fun (top, bottom) -> (top |> List.rev, bottom) + + let segmentToStrands (s:Segment.t) = + match s with + (* {LB}[S]{RB} *) + | Segment.Double (lb, lt, s, rt, rb) -> + let lb' = lb |> List.rev |> toStrand + let lt' = lt |> toStrand + let s', ss' = s |> toDoubleStrand + let rt' = rt |> toStrand + let rb' = rb |> List.rev |> toStrand + + Double ( lt' @ s' @ rt' + , rb' @ ss' @ lb') + (* {OB}[S]{HP> *) + | Segment.Hairpin (ob, ot, s, hp, Segment.Right) -> + let ob' = ob |> toStrand + let ot' = ot |> toStrand + let s', ss' = s |> toDoubleStrand + let hp' = hp |> toStrand + Single (ot' + @ s' + @ (List.rev hp') + @ ss' + @ (List.rev ob')) + + (* {OB} *) + | Segment.Hairpin (ob, ot, s, hp, Segment.Left) -> + let ob' = ob |> toStrand + let ot' = ot |> toStrand + let s', ss' = s |> toDoubleStrand + let hp' = hp |> toStrand + Single ((List.rev ob') + @ ss' + @ (List.rev hp') + @ s' + @ ot') + + let rec toProc (g:FlatGate) = + match g with + | SEndWith s -> segmentToStrands s, Set.empty + | SJoinTop (s,g') -> let sr, acc = toProc g' + match sr with + | Single tr -> + match segmentToStrands s with + | Single tl -> Single (tl @ tr), acc + | Double (tl, bl) -> Double (tl@tr, bl), acc + | Double (tr, br) -> + let acc' = acc.Add br + match segmentToStrands s with + | Single tl -> Single (tl @ tr), acc' + | Double (tl, bl) -> Double (tl @ tr, bl), acc' + | SJoinBottom (s, g') -> let sr, acc = toProc g' + match sr with + | Single br -> + match segmentToStrands s with + | Single bl -> Single (br @ bl), acc + | Double (tl, bl) -> Double (tl, br@bl), acc + | Double (tr, br) -> + let acc' = acc.Add tr + match segmentToStrands s with + | Single bl -> Single (br @ bl), acc' + | Double (tl, bl) -> Double (tl, br @ bl), acc' + match toProc g with + | Single s, acc -> acc.Add s |> Set.toList |> Process.OfList + | Double (s1, s2), acc -> acc.Add s1 |> Set.add s2 |> Set.toList |> Process.OfList + +let parse_extended toeholds specificities code = + match code |> Parser.from_string DSDParser.parser with + | ((task, z, opts, maybeRules), s ) -> + let opts = Options.setToeholdsText toeholds opts + let opts = Options.setSpecificitiesText specificities opts + let mod_plots : Syntax.t_plot_base list = [] + + (* build base environment from Filzbach parameters *) + let base_env = z.parameters |> List.map (fun (p:Parameter) -> p.name, p.value) |> Types.bindings_to_env + + (* Expand the syntax and build environment *) + let counter,names,p,edef,evals,dom_env = Syntax.expand opts base_env mod_plots s + + (* Translate the process into a list of species, using the environment to allow tracking of module calls for plotting *) + let ((_(*names*),_(*counter*)),species_env,reactions) = Process.eval_to_species opts (names,counter) edef evals p in + let species_list = Species.env_to_species species_env in + Species.check (List.map (fun (pi:Species.sim_t,_) -> pi.species) species_list) |> ignore + + (* translate modules to species in the plots *) + let sanitize_species x = + match resolvePlot species_env x with + | Some sp -> Some (Species.eval evals sp |> Species.erasePos) + | None -> match resolvePlotMissing edef x with + | Some sp -> Some (Species.eval evals sp |> Species.erasePos) + | None -> None // removes plots not mentioned in the DSD program + + let sane_z = z + // resolve plots AND rate expressions, if possible + |> fun z -> z.map (Expression.map (Key.map sanitize_species)) + // filter out unresolved species (marked by 'None') + |> fun z -> z.collect_plots + (fun sanitizedPlot -> + if sanitizedPlot + |> Expression.mentions + |> List.exists (fun k -> match k with + | Key.Species None -> true + | _ -> false) + then [] + else [sanitizedPlot]) + // convert settings from 'Species.t option' to 'Species.t' + |> fun z -> z.map + (Expression.map (Key.map (fun x -> match x with + | Some sp -> sp + | None -> failwith "Unexpected null plot"))) + (* Generate calculus specific to the rxn reactions. *) + let pick_unique_rate (s: Process.sreaction seq) = + if s |> Seq.pairwise |> Seq.forall (fun (a,b) -> (*Reaction.rateEquals*) a.rate = b.rate) then + s |> Seq.head + else failwith "Multiple rate definitons for same rxn reaction" in + + let reactions = + reactions + |> Reaction.normalise_list + |> Seq.ofList + |> Seq.groupBy (fun r -> r.reactants, r.products) + |> Seq.map (snd >> pick_unique_rate) + |> Seq.toList in + + let declaredInitials = + species_list // TODO run infinite reactions + |> List.map (fun (pi, t) -> Initial.create(pi.constant, pi.value, pi.species, t, pi.spatial_initial)) + let zero : value = Expression.Float 0.0 + + // custom reactions may include undeclared species, which must be added to the initials + let reactionInitials = reactions + |> List.collect (fun r -> r.allSpecies) + |> List.filter (fun x -> not (List.contains x (species_list |> List.map (fun (pi:Species.sim_t,_) -> pi.species) ))) + |> Seq.distinct |> Seq.toList + |> List.map (fun sp -> Initial.create(false, zero, sp, None, None)) + + let initials = declaredInitials @ reactionInitials + + let meta = build_meta opts species_env evals dom_env (initials |> List.map (fun i -> i.species)) in + let bundle = match maybeRules with + | None -> + ClassicDSD + { settings = sane_z + ; meta = meta + ; sreactions = reactions + ; initials = initials + ; dsdOptions = opts } + | Some rules -> + let toLogicDSDProcess (x:Species.t) : RulesDSD.Syntax.Process = + match x with + | Species.STRAND s -> + let toStrand = List.map (toLogicDomain >> Dom >> Unbound >> Site) + match s with + | Strand.Upper ds -> [ds |> toStrand ] |> RulesDSD.Syntax.Process.OfList + | Strand.Lower ds -> [ds |> List.rev |> toStrand ] |> RulesDSD.Syntax.Process.OfList + | Species.GATE g -> let fg = g |> flattenGate + let p = fg |> toLogicProcess + p + | Species.ORIGAMI _ -> failwith "Origami's are not supported in Logic DSD yet." + | Species.UNKNOWN x -> failwith <| sprintf "Unknown species %s" x + | Species.LogicDsdProcess p -> p + |> RulesDSD.Syntax.Process.Canonical cle + + let settings' = sane_z.map (Expression.map (Key.map (toLogicDSDProcess))) + let plotsCache = + match snd meta.info with + | Species.t_disp.Names (m, x) -> + m + |> Map.toList + |> List.map (fun (p, name) -> + p + |> Parser.from_string (DSDParser.parse_molecule_dots false) + |> DSDParser.to_species (-1, -1) + |> toLogicDSDProcess + , name) + |> Map.ofList + :> System.Collections.Generic.IDictionary<_,_> + |> System.Collections.Generic.Dictionary + + + Rules + { settings = settings' + ; initials = initials + |> List.map (Initial.mapSpecies toLogicDSDProcess) + |> List.groupBy (fun i -> i.species, i.constant, i.spatial, i.time) + |> List.map (fun ((sp,c,spat,time), rest) -> + let v = Expression.Plus (rest |> List.map (fun i -> i.value)) + |> Expression.simplify + Initial.create(c, v, sp, time, spat)) + ; reactions = reactions + |> List.map (Reaction.map toLogicDSDProcess id (Expression.map (Key.map toLogicDSDProcess))) + ; plotsCache = plotsCache + ; dsdOptions = opts + ; rules = rules + :> System.Collections.Generic.IDictionary<_,_> + |> System.Collections.Generic.Dictionary } + bundle,task + +let parse code = let (bundle,_) = parse_extended (Options.getToeholdsText Options.default_options) (Options.getSpecificitiesText Options.default_options) code in bundle + +let to_engine_species namer s = + namer s |> Species.create + +let get_species_attributes namer (b:ClassicBundle) : (Species.t -> Attributes) = + let rendering = Options.getRendering b.dsdOptions + let render s = + match rendering.renderer with + | Options.Branches -> + let style = BranchesRenderer.species_style b.meta.domain_colours (b.initials |> List.map (fun i -> i.species)) + s |> BranchesRenderer.species_to_svg_branches rendering.arrange rendering.mode b.meta.meta rendering.rotate_labels style + | Options.Circles -> + let style = BranchesRenderer.species_style b.meta.domain_colours (b.initials |> List.map (fun i -> i.species)) + s |> CirclesRenderer.species_to_svg_circles style + | Options.Classic -> + let normalise = rendering.mode <> Options.Nucleotides + let style = Svg.species_style b.meta.domain_colours (b.initials |> List.map (fun i -> i.species)) + s |> Svg.species_to_svg_mode rendering.mode b.meta.meta |> Svg.to_string_normalise normalise style + fun (s:Species.t) -> + { name = namer s + ; structure = Species.display s + ; svg = render s } + +let createRulesEmptyCache () = new System.Collections.Generic.Dictionary,string>(), ref 0 +let getRulesDSDNamer (cache:System.Collections.Generic.Dictionary,string>, counter : int ref) = + // let counter = ref 0 + let namer (sys : Process)= + if cache.ContainsKey sys + then cache.Item(sys) + else + let n = !counter + counter := n + 1 + let freshName = sprintf "sp_%i" n + cache.Add(sys, freshName) + freshName + + namer + +let rulesRenderer (options:Options.t) (namer:Process -> string) (assigned:System.Collections.Generic.Dictionary) (s:Process) : Attributes = + let graphics = + match options.rendering.renderer with + | Options.Circles -> + let style = BranchesRenderer.species_style assigned [Species.LogicDsdProcess s] + CirclesRenderer.species_to_svg_circles style (Species.LogicDsdProcess s) + | Options.Classic + | Options.Branches -> + let style = BranchesRenderer.species_style assigned [Species.LogicDsdProcess s] + BranchesRenderer.species_to_svg_branches options.rendering.arrange options.rendering.mode Sequence.empty options.rendering.rotate_labels style (Species.LogicDsdProcess s) + { name = namer s + ; structure = s |> Term.Proc |> Term.ToStringWith Microsoft.Research.DNA.LogicDSD.engine + ; svg = graphics } + +let convert_unexpanded (bundle:bundle) = + match bundle with + | ClassicDSD bundle -> + let namer = default_namer bundle.dsdOptions bundle.meta.info + let dsd_dummy = { Calculus.react = fun _ _ -> [] } + // Expand the calculus to a CRN + // TODO: Case with no species except in react-style reactions + // Might not get the species, then + + let equalsSpecies = Species.equal bundle.dsdOptions + let plotMatcher = Species.matches bundle.dsdOptions + let crn = Crn.from_calculus_translated + (to_engine_species namer) + (get_species_attributes namer bundle) + equalsSpecies + plotMatcher + (fun sp -> (Species.free_names sp).IsEmpty) + "" + bundle.settings + dsd_dummy + bundle.initials + bundle.sreactions + (Options.get_is_jit bundle.dsdOptions) + (Options.get_is_jit bundle.dsdOptions) + false + |> Crn.group_reactions + crn.initialise() + | Rules bundle -> + let dsd_dummy = { Calculus.react = fun _ _ -> [] } + let equalsSpecies (sys1:Process) (sys2:Process) : bool = + sys1 = sys2 + + let namer = getRulesDSDNamer (createRulesEmptyCache ()) + let colors = new System.Collections.Generic.Dictionary() + let colors = BranchesRenderer.dom_map colors (List.map (fun (i:Initial,Expression.t>) -> Species.LogicDsdProcess i.species) bundle.initials) + Crn.from_calculus_translated + (to_engine_species namer) + (rulesRenderer bundle.dsdOptions namer colors) + equalsSpecies + equalsSpecies // TODO: plot matcher for Strand Graphs + (fun _ -> true) + "" + bundle.settings + dsd_dummy + bundle.initials + [] + (Options.get_is_jit bundle.dsdOptions) + (Options.get_is_jit bundle.dsdOptions) + false + +let makeDsdCalculus (b:bundle) = + match b with + | ClassicDSD bundle -> + { Calculus.react = + (fun ss s -> + let new_rs, _, _(*new_ss, new_env*) = Dsdreaction.add_new_species_reactions bundle.meta.subdomains bundle.settings bundle.dsdOptions bundle.meta.meta s ss bundle.meta.info [] bundle.sreactions + new_rs) // TODO: This may give many duplicated reactions + } + | Rules _ -> failwith "ClassicDSD/RulesDSD calculus integration not available yet." + +// let debugMap = ref Map.empty // uncomment "debugMap" comments to enable performance profiling of Logic DSD + +let to_rules_calculus b = + let b = match b with Rules b -> b | _ -> failwith "Rules bundle expected" + // prepare the set of "reaction" predicates to run in the calculus + let reactionKinds = + let key = "reaction", 3 + if not <| b.rules.ContainsKey key + then [] + else + b.rules.Item key + |> Set.filter (fun s -> s.head.Name = "reaction" + && match s.head.Args.Head with + | Term.TList _ -> true + | Term.Var _ -> true + | _ -> failwith <| sprintf "The first argument of %s must be a list or a variable." s.head.String) + |> Set.map (fun s -> match s.head.Args.Head with + | Term.TList ts -> ts.Length, s.head + | Term.Var _ -> -1, s.head + | _ -> failwith "") + |> Seq.fold (fun (acc:Map list>) (k:int,v) -> if acc.ContainsKey k + then Map.add k (v::acc.[k]) acc + else Map.add k [v] acc) Map.empty + |> Map.toList + + { + react = fun (oldSystems:Process list) (newSystem:Process) -> + // combine each complex Q in oldSystems with complex P in newSystem, to form (P | Q) + let rec combo n : Term list list = + if n <= 0 + then [] + else let ccombo = combo (n-1) + if ccombo.IsEmpty + then oldSystems |> List.map (fun p -> [Term.Proc p]) + else + oldSystems + |> List.collect (fun p -> + ccombo + |> List.map (fun ts -> let t = Term.Proc p + t :: ts)) + // build the available "reaction"s given the new and old processes + let queries = + reactionKinds + |> List.collect + (fun (reactantsStoichiometry, preds) -> + match reactantsStoichiometry with + | -1 -> // predicates of the form reaction(Var, Rate, Qs) + preds |> List.map (fun p -> Pred (p.Name, Term.Proc newSystem :: (p.Args.Tail))) + | 0 -> preds + | 1 -> preds |> List.map (fun p -> Pred (p.Name, TList [Term.Proc newSystem] :: (p.Args.Tail))) + | _ -> + let oldReactants = combo (reactantsStoichiometry - 1) + preds + |> List.collect (fun p -> + oldReactants + |> List.map (fun rs -> + let procs = match ProcessEquality.Flatten cle' <| Func ("|", Term.Proc newSystem :: rs) with + | Some p -> p + |> Process.Canonical cle' + |> Microsoft.Research.DNA.LogicDSD.toDsdComplexes + |> List.map Term.Proc + | None -> failwith"" + let newReactants = Term.TList procs + let newArgs = newReactants :: p.Args.Tail + Pred (p.Name, newArgs) + )) + ) + |> List.map Literal.Pos + + let errorMsg t = + failwith <| sprintf "Unexpected term %s found in reaction enumeration; expecting a process or a list of processes." (Term.ToStringWith Microsoft.Research.DNA.LogicDSD.engine t) + + // query the Prolog engine and create reactions if any reaction predicate matched + queries + |> List.choose (fun query -> + match RulesDSD.Resolution.resolveAll query b.rules cle (*debugMap*) with + | None -> None + | Some sols -> + let procToMSet (t : Term) (toCanonize : bool ) : Mset.t> = + let toMSet procs : Mset.t> = + procs + |> List.sortWith (Process.Compare cle) + |> List.countBy id + |> List.map (fun (sp, count) -> { element = sp; multiplicity = count }) + let removeAnyTags p = + let removeAnyTag (d:DomainT) = + match d with + | DomainT.Dom dom -> if dom.tag = AnyTag + then DomainT.Dom { dom with tag = NoTag } + else d + | DomainT.Var (v, AnyTag) -> DomainT.Var (v, NoTag) + | _ -> d + p |> Process.Map (fun x -> match x with + | SiteT.Site s -> match s with + | Site.Bound (d,b) -> (removeAnyTag d, b) |> Site.Bound |> SiteT.Site + | Site.Unbound d -> d |> removeAnyTag |> Site.Unbound |> SiteT.Site + | SiteT.Var v -> x) + match t with + | Proc p' -> + let p = removeAnyTags p' + if toCanonize + then p |> Process.Canonical cle // sorts all complexes in canonical form + |> Microsoft.Research.DNA.LogicDSD.toDsdComplexes + |> List.map (Process.Canonical cle) + else [p] + |> toMSet + | TList ts -> if toCanonize + then + let qs = ts + |> List.map (ProcessEquality.Flatten cle) + + if qs |> List.exists Option.isNone + then failwith"" + else + let q = qs + |> List.map (Option.get >> Process.ToList) + |> List.concat + |> Process.OfList + |> removeAnyTags + |> Term.Proc + match ProcessEquality.Flatten cle q with + | Some p -> p + |> Process.Canonical cle// sorts complexes in canonical form + |> Microsoft.Research.DNA.LogicDSD.toDsdComplexes + |> List.map (Process.Canonical cle) + |> toMSet + | _ -> errorMsg t + else ts + |> List.map (fun x -> match x with + | Term.Proc p -> removeAnyTags p + | _ -> failwith"") + |> toMSet + | _ -> errorMsg t + + let rec termToCrnExpr t : Value = + match t with + | Term.Float i -> Expression.Float (float i) + | Term.Const n -> Expression.Key n + | Term.Func("*", ts) -> ts + |> List.map termToCrnExpr + |> Expression.Times + | Term.Func("+", ts) -> ts + |> List.map termToCrnExpr + |> Expression.Plus + | Term.Func("-", [t1; t2]) -> Expression.Minus {sub1 = termToCrnExpr t1; sub2 = termToCrnExpr t2} + | Term.Func("**", [t1; t2]) -> Expression.Power {base_ = termToCrnExpr t1; exponent = termToCrnExpr t2} + | Term.Func("/", [t1; t2]) -> Expression.Divide {div1 = termToCrnExpr t1; div2 = termToCrnExpr t2} + | Term.Func(op, _) -> failwith <| sprintf "Conversion to rate not support for operation \"%s\"" op + | Term.Proc _ -> failwith <| sprintf "Conversion to functional rates not support yet" + | _ -> failwith <| sprintf "Unexpected term \"%s\"in rate conversion." (Term.ToStringWith Microsoft.Research.DNA.LogicDSD.engine t) + sols + |> List.map (fun theta -> + match theta.Apply(query, cle) with + | Pos (Pred ("reaction", [P; Rt; Q])) -> + // reactants are already in canonical form by construction + let reactants = procToMSet P true + let rate : Rate>>> = + Rt + |> termToCrnExpr + |> Rate.MassAction + let products = procToMSet Q true + // |> List.sort + let r = Reaction.create(reactants, None, rate, products) + r + | _ -> failwith "" ) + |> Some + ) + |> List.concat + |> List.distinct + |> List.filter (fun r -> r.reactants <> r.products) + } + +let convert_expand (b:bundle) = + match b with + | ClassicDSD bundle -> + let namer = default_namer bundle.dsdOptions bundle.meta.info in + + // Expand the calculus to a CRN + let dsdCalculus = makeDsdCalculus b + let equalsSpecies = Species.equal bundle.dsdOptions + let plotMatcher = Species.matches bundle.dsdOptions + let crn = Crn.from_calculus_translated + (to_engine_species namer) + (get_species_attributes namer bundle) + equalsSpecies + plotMatcher + (fun sp -> (Species.free_names sp).IsEmpty) + "" + bundle.settings + dsdCalculus + bundle.initials + bundle.sreactions + false + true + false + |> Crn.group_reactions + crn.initialise() + | Rules bundle -> + let namer = getRulesDSDNamer (createRulesEmptyCache ()) // bundle.spCache + let rulesCalculus = to_rules_calculus b + let colors = new System.Collections.Generic.Dictionary() + let colors = BranchesRenderer.dom_map colors (List.map (fun (i:Initial,Expression.t>) -> Species.LogicDsdProcess i.species) bundle.initials) + //debugMap := Map.empty + let crn = Crn.from_calculus_translated + (to_engine_species namer) + (rulesRenderer bundle.dsdOptions namer colors) + (=) // process equality + (=) // process equality // TODO: implement plot pattern matching for systems + (fun _ -> true) + "" + bundle.settings + rulesCalculus + bundle.initials + [] + false + true + false + |> Crn.group_reactions + (* // see commented out declaration of debugMap to enable Logic DSD performance profiling + !debugMap + |> Map.toList + |> List.sortWith (fun x y -> System.TimeSpan.Compare(snd x, snd y)) + |> List.iter (fun (x, y) -> printf "%s,%s\n" (y.ToString("G").Substring(8)) x) + *) + crn.initialise() + +(* "Compile" a program, which involves parsing, typechecking and compiling it. + We also fill in the species, but do not perform expansion. *) +let compile text = parse text |> convert_expand +let compile_extended toeholds specificities text = let (bundle,task) = parse_extended toeholds specificities text in (bundle |> convert_expand, task) + + +(*************************) +let generic_to_jit + (calculus:Calculus<'a>) + speciesEquals + speciesMatches + (initials:Initial<'a, Expression.t> list) + (reactions:Reaction<'a, Expression.t, Expression.t>> list) + (settings:Crn_settings>>) + (makeJitPlottable : 'a -> Jit.newplottable) = + // calculate dsd reactions allowed by the initial species + //let initialSpecies = bundle.initials + // |> List.map (fun i -> i.species) + + + let rec loop toExpand expanded newReactions newSpecies = + let isNew s = + match List.tryFind (speciesEquals s) expanded with + | None -> true + | Some _ -> false + match toExpand with + | [] -> newReactions, newSpecies |> Seq.distinct |> Seq.toList + | i::is -> + if not (isNew i) + then loop is (i::expanded) newReactions newSpecies + else + // let new_reactions = calculus.react species_acc i in + // let new_species = + // new_reactions + // |> List.collect (fun r -> r.products |> Mset.elements) + // |> List.distinct + // |> List.filter is_new + // loop (new_reactions@reactions_acc) (i::species_acc) (is @ new_species) + let eReactions = calculus.react expanded i + let eSpecies = eReactions + |> List.collect (fun r -> r.products |> Mset.elements) + |> List.filter isNew + loop is (i::expanded) (eReactions @ newReactions) (eSpecies @ newSpecies) + + let reactionSpecies = reactions + |> List.collect (fun r -> r.products |> Mset.elements) + let bundleSpecies = initials |> List.map (fun i -> i.species) + let initialSpecies = bundleSpecies @ reactionSpecies + |> List.rev + |> List.fold (fun acc sp -> if List.exists (speciesEquals sp) acc + then acc + else acc @ [sp]) [] + + let newReactions, newSpecies = loop initialSpecies [] [] [] + // add user-defined reactions only if they are not already generated by the calculus + // CS: this seems to be the behaviour in Visual DSD + let allReactions = reactions + @ (newReactions + |> List.filter (fun x -> not (List.exists ((=) x) reactions)) ) + + // setup species + let zero : Expression.t = Expression.Float 0.0 + let newInitials = newSpecies + |> List.distinct + // filter out species already present in some initial (this can happen if the calculus finds a new species in loop which is also in the is list) + |> List.filter (fun sp -> not (initials |> List.exists (fun i-> i.species = sp))) + |> List.map (fun sp -> Initial.create(false, zero, sp, None, None)) + let allInitials = initials @ newInitials + + // setup constant inlining + let env : Environment.t = Parameters.to_env settings.parameters + let eval = Expression.eval (Environment.find env) + let rates : Map>> = Key.inline_rates_env env settings.rates + let inliner x = Key.inline_keys env rates x + + // inline constants + let iPlots = Expression.expand inliner + let iSettings : Crn_settings>> = settings.map_plots iPlots iPlots //AP NB TODO: define separate functions for mapping rates and plots + let iReactions = allReactions + |> List.map (Reaction.map id eval (Expression.expand inliner)) + + // return jit + Jit.create iSettings.simulation iSettings.stochastic iSettings.rates iSettings.parameters initialSpecies allInitials iReactions makeJitPlottable speciesEquals speciesMatches + +(*************************) + +let to_jit (b:bundle) : Choice, Jit.t>> = + match b with + | ClassicDSD bundle -> + let equalsSpecies = Species.equal bundle.dsdOptions + let calculus = makeDsdCalculus b + + // calculate dsd reactions allowed by the initial species + //let initialSpecies = bundle.initials + // |> List.map (fun i -> i.species) + + + let rec loop toExpand expanded newReactions newSpecies = + let isNew s = + match List.tryFind (equalsSpecies s) expanded with + | None -> true + | Some _ -> false + match toExpand with + | [] -> newReactions, newSpecies |> Seq.distinct |> Seq.toList + | i::is -> + if not (isNew i) + then loop is (i::expanded) newReactions newSpecies + else + // let new_reactions = calculus.react species_acc i in + // let new_species = + // new_reactions + // |> List.collect (fun r -> r.products |> Mset.elements) + // |> List.distinct + // |> List.filter is_new + // loop (new_reactions@reactions_acc) (i::species_acc) (is @ new_species) + let eReactions = calculus.react expanded i + let eSpecies = eReactions + |> List.collect (fun r -> r.products |> Mset.elements) + |> List.filter isNew + loop is (i::expanded) (eReactions @ newReactions) (eSpecies @ newSpecies) + + let reactionSpecies = bundle.sreactions + |> List.collect (fun r -> r.products |> Mset.elements) + let bundleSpecies = bundle.initials |> List.map (fun i -> i.species) + let initialSpecies = bundleSpecies @ reactionSpecies + |> List.rev + |> List.fold (fun acc sp -> if List.exists (equalsSpecies sp) acc + then acc + else acc @ [sp]) [] + + let newReactions, newSpecies = loop initialSpecies [] [] [] + // add user-defined reactions only if they are not already generated by the calculus + // CS: this seems to be the behaviour in Visual DSD + let allReactions = bundle.sreactions + @ (newReactions + |> List.filter (fun x -> not (List.exists ((=) x) bundle.sreactions)) ) + + // setup species + let zero : Expression.t = Expression.Float 0.0 + let newInitials = newSpecies + |> List.distinct + // filter out species already present in some initial (this can happen if the calculus finds a new species in loop which is also in the is list) + |> List.filter (fun sp -> not (bundle.initials |> List.exists (fun i-> i.species = sp))) + |> List.map (fun sp -> Initial.create(false, zero, sp, None, None)) + let allInitials = bundle.initials @ newInitials + + // setup constant inlining + let env : Environment.t = Parameters.to_env bundle.settings.parameters + let eval = Expression.eval (Environment.find env) + let rates = Key.inline_rates_env env bundle.settings.rates + let inliner (x:Key) = Key.inline_keys env rates x + + // inline constants + let iPlots = Expression.expand inliner + let iSettings:Crn_settings>> = bundle.settings.map_plots iPlots iPlots //AP NB TODO: define separate functions for mapping rates and plots + let iReactions = allReactions + |> List.map (Reaction.map id eval (Expression.expand inliner)) + + // prepare the generator for new plottables + let count = ref 0 + let namer = default_namer bundle.dsdOptions bundle.meta.info + let makeJitPlottable sp = + let attributes = get_species_attributes namer bundle sp + //let attributes = get_species_attributes (fun sp -> (count := !count + 1; sprintf "jit_%i" !count)) bundle sp + { Jit.name = attributes.name; Jit.structural = attributes.structure |> Some; Jit.svg = attributes.svg |> Some } + + // return jit + Choice1Of2 <| Jit.create iSettings.simulation iSettings.stochastic iSettings.rates iSettings.parameters initialSpecies allInitials iReactions makeJitPlottable (Species.equal bundle.dsdOptions) (Species.matches bundle.dsdOptions) + | Rules bundle -> + let calculus = to_rules_calculus b + let processEquals p q = (p = q) + let processMatch p q = + let eq = [RulesDSD.Unification.TEq ( RulesDSD.Syntax.Term.Proc p, RulesDSD.Syntax.Term.Proc q)] + RulesDSD.Unification.unify cle eq |> List.isEmpty |> not + + // make jit plotter + let namer = getRulesDSDNamer (bundle.plotsCache, ref bundle.plotsCache.Count)// bundle.spCache + let colors = new System.Collections.Generic.Dictionary() + let colors = BranchesRenderer.dom_map colors (List.map (fun (i:Initial,Expression.t>) -> Species.LogicDsdProcess i.species) bundle.initials) + let makeJitPlottable p = + let rendered = (rulesRenderer bundle.dsdOptions namer colors) + let attributes = rendered p + { Jit.name = attributes.name; Jit.structural = attributes.structure |> Some; Jit.svg = attributes.svg |> Some } + + let rulesJit = + generic_to_jit + calculus + processEquals + processMatch + bundle.initials + [] + bundle.settings + makeJitPlottable + Choice2Of2 rulesJit + + +let is_jit (b:bundle) = + match b with + | ClassicDSD bundle -> Options.get_is_jit bundle.dsdOptions + | Rules bundle -> Options.get_is_jit bundle.dsdOptions + +let update_bundle_after_jit (b:bundle) (jit:Jit.t) : bundle = + // Create new initials list + match b with + | ClassicDSD bundle -> + // FP: I'm removing the mapping step, because it's producing wrong species counts. I'm not sure why it was done. The initials from JIT should be correct already. + (*let all_species = jit |> Jit.get_species + let map_initial (sp:Initial>) = + match List.tryFind (fun (i:Initial>) -> i.species = sp.species) bundle.initials with + | Some i -> i + | None -> sp + let initials = all_species |> List.map map_initial*) + let initials = jit |> Jit.get_species + // Create new reactions list + let all_reactions = jit |> Jit.get_reactions + let map_reaction (r:Reaction<'s, float, Expression.t>>) = + Reaction.map id Expression.Float (fun f -> Expression.map (fun k -> match k with + | Inlined.Species s -> Key.Species s + | Inlined.Time -> Key.Time) f) r + let reactions = all_reactions |> List.map map_reaction + ClassicDSD { bundle with initials = initials; sreactions = reactions } + | Rules bundle -> + let initials =jit |> Jit.get_species + let all_reactions = jit |> Jit.get_reactions + let map_reaction (r:Reaction<'s, float, Expression.t>>) = + Reaction.map id Expression.Float (fun f -> Expression.map (fun k -> match k with + | Inlined.Species s -> Key.Species s + | Inlined.Time -> Key.Time) f) r + let reactions = all_reactions |> List.map map_reaction + // Rules { bundle with initials = initials; reactions = reactions } + failwith "JIT simulations not implemented for RulesDSD yet" + +let to_logic_calculus b = + let b = match b with Rules b -> b | _ -> failwith "Rules bundle expected" + // prepare the set of "reaction" predicates to run in the calculus + let reactionKinds = + let key1 = "reaction", 3 // reactions of the form reaction(P, Rate, Q) + let key2 = "reactions", 2 // reactions of the form reactions(P, Crn) + if not <| b.rules.ContainsKey key1 + && not <| b.rules.ContainsKey key2 + then [] + else + let reactions1 = + b.rules.Item key1 + |> Set.filter (fun s -> s.head.Name = "reaction" + && match s.head.Args.Head with + | Term.TList _ -> true + | Term.Var _ -> true + | _ -> failwith <| sprintf "The first argument of %s must be a list or a variable." s.head.String) + |> Set.map (fun s -> match s.head.Args.Head with + | Term.TList ts -> ts.Length, s.head + | Term.Var _ -> -1, s.head + | _ -> failwith "") + let reactions2 = + b.rules.Item key2 + |> Set.filter (fun s -> s.head.Name = "reactions") + |> Set.map (fun s -> -1, s.head) + + Set.union reactions1 reactions2 + |> Seq.fold (fun (acc:Map list>) (k:int,v) -> if acc.ContainsKey k + then Map.add k (v::acc.[k]) acc + else Map.add k [v] acc) Map.empty + |> Map.toList + { + react = fun (oldTerms:Term list) (newTerm:Term) -> + // combine each complex Q in oldSystems with complex P in newSystem, to form (P | Q) + let rec combo n : Term list list = + if n <= 0 + then [] + else let ccombo = combo (n-1) + if ccombo.IsEmpty + then oldTerms |> List.map (fun p -> [p]) + else + oldTerms + |> List.collect (fun t -> + ccombo + |> List.map (fun ts -> t :: ts)) + // build the available "reaction"s given the new and old processes + let queries = + reactionKinds + |> List.collect + (fun (reactantsStoichiometry, preds) -> + match reactantsStoichiometry with + | -1 -> // predicates of the form reaction(Var, Rate, Qs) + preds |> List.map (fun p -> Pred (p.Name, newTerm :: (p.Args.Tail))) + | 0 -> preds + | 1 -> preds |> List.map (fun p -> Pred (p.Name, TList [newTerm] :: (p.Args.Tail))) + | _ -> + let oldReactants = combo (reactantsStoichiometry - 1) + preds + |> List.collect (fun p -> + oldReactants + |> List.map (fun rs -> + let ps, terms = newTerm :: rs + |> List.partition (fun x -> match x with + | Term.Proc _ -> true + | _ -> false) + let procs = match ProcessEquality.Flatten cle' <| Func ("|", ps) with + | Some p -> p + |> Process.Canonical cle + |> Microsoft.Research.DNA.LogicDSD.toDsdComplexes + |> List.map Term.Proc + | None -> failwith"" + let newReactants = Term.TList (procs @ terms) + let newArgs = newReactants :: p.Args.Tail + Pred (p.Name, newArgs) + )) + ) + |> List.map Literal.Pos + + let errorMsg t = + failwith <| sprintf "Unexpected term %s found in reaction enumeration; expecting a process or a list of processes." (Term.ToStringWith Microsoft.Research.DNA.LogicDSD.engine t) + + // query the Prolog engine and create reactions if any reaction predicate matched + queries + |> List.choose (fun query -> + match RulesDSD.Resolution.resolveAll query b.rules cle (*debugMap*) with + | None -> None + | Some sols -> + let procToMSet (t : Term) (toCanonize : bool ) : Mset.t> = + let toMSet procs : Mset.t> = + procs + |> List.sortWith (Term.Compare cle) + |> List.countBy id + |> List.map (fun (sp, count) -> { element = sp; multiplicity = count}) + let removeAnyTags p = + let removeAnyTag (d:DomainT) = + match d with + | DomainT.Dom dom -> if dom.tag = AnyTag + then DomainT.Dom { dom with tag = NoTag } + else d + | DomainT.Var (v, AnyTag) -> DomainT.Var (v, NoTag) + | _ -> d + p |> Process.Map (fun x -> match x with + | SiteT.Site s -> match s with + | Site.Bound (d,b) -> (removeAnyTag d, b) |> Site.Bound |> SiteT.Site + | Site.Unbound d -> d |> removeAnyTag |> Site.Unbound |> SiteT.Site + | SiteT.Var v -> x) + match t with + | Proc p' -> + let p = removeAnyTags p' + if toCanonize + then p |> Process.Canonical cle // sorts all complexes in canonical form + |> Microsoft.Research.DNA.LogicDSD.toDsdComplexes + |> List.map (Process.Canonical cle) + else [p] + |> List.map Term.Proc + |> toMSet + | TList ts -> if toCanonize + then + // TODO: split Qs into processes (potentially canonical) and terms + let qs = ts + |> List.map (ProcessEquality.Flatten cle) + + if qs |> List.exists Option.isNone + then failwith"" + else + let q = qs + |> List.map (Option.get >> Process.ToList) + |> List.concat + |> Process.OfList + |> removeAnyTags + |> Term.Proc + match ProcessEquality.Flatten cle q with + | Some p -> p + |> Process.Canonical cle // sorts complexes in canonical form + |> Microsoft.Research.DNA.LogicDSD.toDsdComplexes + |> List.map (Process.Canonical cle) + |> List.map Term.Proc + |> toMSet + | _ -> errorMsg t + else ts + |> List.map (fun x -> match x with + | Term.Proc p -> removeAnyTags p + | _ -> failwith"") + |> List.map Term.Proc + |> toMSet + | _ -> errorMsg t + + let rec termToCrnExpr t : Value = + match t with + | Term.Float i -> Expression.Float (float i) + | Term.Const n -> Expression.Key n + | Term.Func("*", ts) -> ts + |> List.map termToCrnExpr + |> Expression.Times + | Term.Func("+", ts) -> ts + |> List.map termToCrnExpr + |> Expression.Plus + | Term.Func("-", [t1; t2]) -> Expression.Minus {sub1 = termToCrnExpr t1; sub2 = termToCrnExpr t2} + | Term.Func("**", [t1; t2]) -> Expression.Power {base_ = termToCrnExpr t1; exponent = termToCrnExpr t2} + | Term.Func("/", [t1; t2]) -> Expression.Divide {div1 = termToCrnExpr t1; div2 = termToCrnExpr t2} + | Term.Func(op, _) -> failwith <| sprintf "Conversion to rate not support for operation \"%s\"" op + | Term.Proc _ -> failwith <| sprintf "Conversion to functional rates not support yet" + | _ -> failwith <| sprintf "Unexpected term \"%s\"in rate conversion." (Term.ToStringWith Microsoft.Research.DNA.LogicDSD.engine t) + + let makeCrnReaction P Rt Q = + let reactants = procToMSet P true + let rate : Rate>>> = + Rt + |> termToCrnExpr + |> Rate.MassAction + let products = procToMSet Q true + // |> List.sort + Reaction.create(reactants, None, rate, products) + + sols + |> List.map (fun theta -> + match theta.Apply(query, cle) with + | Pos (Pred ("reaction", [P; Rt; Q])) -> + // reactants are already in canonical form by construction + [makeCrnReaction P Rt Q] + | Pos (Pred ("reactions", [_; crn])) -> + // TODO: transform Crn into a list of reactions + match crn with + | Term.TList(ts) -> + ts + |> List.map (fun t -> + match t with + | Term.Func ("_reaction", [P; Rt; Q]) -> + makeCrnReaction (Term.Canonical cle P) Rt Q // canonize P first + | _ -> failwith "") + | _ -> [] + | _ -> failwith "" ) + |> Some + ) + |> List.concat + |> List.concat + |> List.distinct + |> List.filter (fun r -> r.reactants <> r.products) + } \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/dsd.fsi b/ClassicDSD/ClassicDSDDotNet/dsd.fsi new file mode 100644 index 0000000..d58b1ae --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/dsd.fsi @@ -0,0 +1,52 @@ +module Microsoft.Research.DNA.Dsd +open Microsoft.Research.DNA + +open Microsoft.Research.CRNEngine + +type term = Crn +val compile : string -> term +val compile_extended : string -> string -> string -> (term*Task option) + +type metadata = + { meta : Sequence.mapping + ; info : Species.t_env + ; domain_colours : Hashtable.t + ; subdomains : Hashtable.t } + +type ClassicBundle = + { settings : Crn_settings>> + ; meta : metadata + ; sreactions : Process.sreaction list + ; initials : Initial list + ; dsdOptions : Options.t} + +type RulesBundle = + { settings : Crn_settings> >> + ; initials : Initial, Microsoft.Research.CRNEngine.Expression.t> list + ; reactions : Reaction + , Expression.t + , Expression.t>>> list + ; plotsCache : System.Collections.Generic.Dictionary, string> + ; dsdOptions : Options.t + ; rules : RulesDSD.Syntax.RulesProgram } + +type bundle = + | ClassicDSD of ClassicBundle + | Rules of RulesBundle + +val get_options : bundle -> Options.t +val set_options : bundle -> Options.t -> bundle + +val parse : string -> bundle +val parse_extended : string -> string -> string -> (bundle*Task option) +val convert_unexpanded : bundle -> term +val convert_expand : bundle -> term + +val makeDsdCalculus : b:bundle -> Microsoft.Research.CRNEngine.Calculus +val to_rules_calculus : b:bundle -> Microsoft.Research.CRNEngine.Calculus> +val to_jit : b:bundle -> Choice, Jit.t>> +val is_jit : b:bundle -> bool +val update_bundle_after_jit : bundle -> Microsoft.Research.CRNEngine.Jit.t -> bundle + +val default_namer: opts:Options.t -> species_env:Species.t_env -> (Species.t -> string) +val get_species_attributes: (Species.t -> string) -> ClassicBundle -> (Species.t -> Attributes) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/dsdreaction.fs b/ClassicDSD/ClassicDSDDotNet/dsdreaction.fs new file mode 100644 index 0000000..5caab3a --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/dsdreaction.fs @@ -0,0 +1,1559 @@ +[] +module Microsoft.Research.DNA.Dsdreaction +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type value = Expression.t +type species = Microsoft.Research.DNA.Species.t +type domain = Domain.t +type strand = Strand.t +type segment = Segment.t +type gate = Gate.t +type origami = Origami.t +type semantics = Options.semantics +type options = Options.t +type species_env = Species.t_env +type sreaction = Reaction>> +type settings = Crn_settings>> +type enzyme = + | Nicking of domain * domain (* creates a nick between the two domains (when found in sequence) *) + | Polymerase of bool (* true = displacing, false = not displacing *) + +type 'species crn_rate when 'species:equality = + | Crn_ma of value + | Crn_func of Expression.t> + +let map_crn_rate f = function + | Crn_ma v -> Crn_ma v + | Crn_func e -> Expression.map (Key.map f) e |> Crn_func + +type 'species mass_action_reaction when 'species:equality = + { ma_reactants: 'species Mset.t + ; ma_products: 'species Mset.t + ; ma_catalysts: 'species Mset.t + ; ma_rate: 'species crn_rate + ; ma_reverseRate: 'species crn_rate option } + +let map_mass_action_reaction f r = + { ma_reactants = Mset.map f r.ma_reactants + ; ma_products = Mset.map f r.ma_products + ; ma_catalysts = Mset.map f r.ma_catalysts + ; ma_rate = map_crn_rate f r.ma_rate + ; ma_reverseRate = Lib.option_map2 (map_crn_rate f) r.ma_reverseRate } + + +(* Type for the different kinds of reaction. *) +type t = + | Unbind of gate * domain * species list (* Unbind reaction on the given domain. *) + | Bind of species * species * domain * species list (* Bind reaction on the given domain. *) + | Leak of species * species * bool * species list (* Leak reaction (maybe fast). *) + | Tau of gate * species list (* Tau reaction. *) + | Migrate of gate * domain list * gate (* Branch migration reaction over list of domains. *) + | Displace of gate * domain list * species list (* Displacement reaction over list of domains. *) + | Cover of gate * domain * gate (* Cover reaction on the given domain. *) + | MigrateOpen of gate * domain list * gate (* Branch migration reaction leading to opening a hairpin *) + | UnbindOpen of gate * domain * species list (* Unbind reaction on the given domain leading to opening a hairpin *) + | Pin of species * domain * species list (* Hairpin creation reaction on the given domain *) + | OrigamiReact of origami * t * origami (* Internal reactions on an origami, between anchored strands and gates *) + | OrigamiEntry of origami * species * t * origami (* Reactions between an origami and an external species *) + | OrigamiExpel of origami * t * species list (* Reactions within an origami that expel species *) + | OrigamiExchange of origami * species * t * species list (* Reactions between an origami and an external species that both enter and expel species *) + | Remote of domain list * t (* Displacement or migration happening at a distance *) + | Nick of species * enzyme * species (* Nicking enzyme *) + | Replication of species * enzyme * int * int * species list (* Replication of a gate: n1 = nr copied but not displaced base pairs, n2 = nr copied and displaced base pairs *) + | Chemical of species mass_action_reaction (* A general chemical reaction in low-level format *) + +(* Get the reactants / products of a reaction, as a list of species. *) +let rec reactants (r:t) = + match r with + | Unbind(g,_,_) | Tau(g,_) | Migrate(g,_,_) | Displace(g,_,_) | Cover(g,_,_) | MigrateOpen(g,_,_) | UnbindOpen(g,_,_) -> [Species.GATE g] + | Bind(i1,i2,_,_) | Leak(i1,i2,_,_) -> [i1;i2] + | Pin(i,_,_) -> [i] + | OrigamiReact(o,_,_) | OrigamiExpel(o,_,_) -> [Species.ORIGAMI o] + | OrigamiEntry(o,i,_,_) | OrigamiExchange(o,i,_,_) -> [Species.ORIGAMI o; i] + | Remote (_,r) -> reactants r + | Nick (i,_,_) | Replication (i,_,_,_,_) -> [i] + | Chemical r -> Mset.to_list r.ma_reactants +let rec products (r:t) = + match r with + | Unbind(_,_,is) | Bind(_,_,_,is) | Leak(_,_,_,is) | Tau(_,is) | Displace(_,_,is) | UnbindOpen(_,_,is) | Pin(_,_,is) -> is + | Migrate(_,_,g) | Cover(_,_,g) | MigrateOpen(_,_,g) -> [Species.GATE g] + | OrigamiReact(_,_,o) | OrigamiEntry(_,_,_,o) -> [Species.ORIGAMI o] + | OrigamiExpel(_,_,is) | OrigamiExchange(_,_,_,is)-> is + | Remote (_,r) -> products r + | Nick (_,_,i) -> [i] | Replication (_,_,_,_,is) -> is + | Chemical r -> Mset.to_list r.ma_products + +(* Get the list of all species in a reaction. *) +let species (r:t) = (reactants r)@(products r) + + +(* helper functions for migration/displacement *) +let domainLength (opts:options) (ns: domain list) = + let thlen = Options.get_toehold_length opts in + let splen = Options.get_specificity_length opts in + (Lib.fold_left (fun total n -> total + (Domain.length thlen splen n)) 0 ns ) + +let migrationRate (opts:options) (ns: domain list) = + let len = domainLength opts ns in + Expression.div (Options.get_elementary_migration_rate opts) (Expression.Float (float (len * len))) + +(* helper functions for migration/displacement in SequenceRate *) +(* If sequence rates is used, a seperate default migration / displacement + Also a different formula to relate length and displacement is used. *) + +(* IMPORTANT: In regular mode, directive migrate specifies an elementary migration step. + The default rate is 8000, and this gives 20/s for a domain of length 20. This length^2 model is due to Zhang and Winfree. + + In sequenceRate, we take the value to be equal to the migration rate for a 20-nt domain and scale it according to our model + Also see draft paper dannenberg et al *) + +let scaleFunction (length:int) = + float (30*length + (length-1)*length) // 30 is the assumed delay in initialiation of migration + +let baseMigrationRateSequence (opts:options)(ns: domain list) = + let len = domainLength opts ns in + let regularLen = 20 in + let scalar = (scaleFunction regularLen) / (scaleFunction len) in + Expression.mul (Options.get_elementary_migration_rate opts) (Expression.Float scalar) + +let migrationSequenceRate opts (before_energy : SequenceCalc.energyExpression) (ns: domain list) (after_energy : SequenceCalc.energyExpression) = + let energy_diff = 0.5 |> SequenceCalc.energyExpression_lmul <| (before_energy |> SequenceCalc.energyExpression_minus <| after_energy) in + let bindRate = baseMigrationRateSequence opts ns in // Options.get_elementary_migration_rate opts in + (SequenceCalc.unbindRateExpression (SequenceCalc.tempCintoK (Options.getTemperature opts)) bindRate energy_diff) + +let displacementRateSequence (opts:options) (mapping:Sequence.mapping) (before: gate) (ns: domain list) (after: species list) = + let before_energy = SequenceCalc.getGateEnergy opts mapping before in + let after_energy = after |> List.map (SequenceCalc.getSpeciesEnergy opts mapping) |> List.reduce SequenceCalc.energyExpression_plus in + (migrationSequenceRate opts before_energy ns after_energy ) + + +let migrationRateSequence (opts:options) (mapping:Sequence.mapping) (before: gate) (ns: domain list) (after: gate) = + let before_energy = SequenceCalc.getGateEnergy opts mapping before in + let after_energy = SequenceCalc.getGateEnergy opts mapping after in + (migrationSequenceRate opts before_energy ns after_energy ) + + +(* Get the rate of a reaction. *) +let rec rate (z:settings) (opts:options) (mapping:Sequence.mapping) (r:t) = + match r with + | Unbind(r,n,ps) | UnbindOpen(r,n,ps) -> + if Options.getSequenceRates opts then + let r_energy = SequenceCalc.getGateEnergy opts mapping r in + let ps_energy = ps |> List.map (SequenceCalc.getSpeciesEnergy opts mapping) |> List.reduce SequenceCalc.energyExpression_plus in + let energy_diff = r_energy |> SequenceCalc.energyExpression_minus <| ps_energy in + let bindRate = + let kt = (Domain.bind_rate n) in + let conc_scale = 10.0 ** (float (match z.units.concentration with Concentration.Molar n -> n)) in // FD : unbind rates are given in per (nano) molar / s units + Expression.div kt (Expression.Float conc_scale) + in + SequenceCalc.unbindRateExpression (SequenceCalc.tempCintoK (Options.getTemperature opts)) bindRate energy_diff |> Crn_ma + else Domain.unbind_rate n |> Crn_ma + | Bind(r1,r2,n,ps) -> + if Options.getSequenceRates opts && (Options.getRules opts).Equals(Options.Infinite) then + let r1_energy = SequenceCalc.getSpeciesEnergy opts mapping r1 in + let r2_energy = SequenceCalc.getSpeciesEnergy opts mapping r2 in + let ps_energy = ps |> List.map (SequenceCalc.getSpeciesEnergy opts mapping) |> List.reduce SequenceCalc.energyExpression_plus in + //let energy_diff = SequenceCalc.slowDown ( (r1_energy + r2_energy) - ps_energy) in + //let diff = (r1_energy + r2_energy) - ps_energy in + //let energy_diff = Prim.min diff {dH = 0.0, dS = 0.0} in + //let energy_diff = 0.5 * (r1_energy + r2_energy - ps_energy) in + let energy_diff = 0.0 |> SequenceCalc.energyExpression_lmul <| (r1_energy |> SequenceCalc.energyExpression_plus <| r2_energy |> SequenceCalc.energyExpression_minus <| ps_energy) in + let bindRate = + let kt = (Domain.bind_rate n) + (* FD: no need to scale when the reaction is bimolecular. *) + // let conc_scale = 10.0 ** (float (Settings.get_concentration_exp z)) in // FD : unbind rates are given in per (nano) molar / s units + // Expression.div kt (Expression.Float conc_scale) + kt + in + SequenceCalc.unbindRateExpression (SequenceCalc.tempCintoK (Options.getTemperature opts)) bindRate energy_diff |> Crn_ma + else Domain.bind_rate n |> Crn_ma (* Assuming that the two reactants are different species for bind? *) + | Pin(_,n,_) -> Domain.bind_rate n |> Crn_ma + | Leak(_,_,fast,_) -> (* Assuming that the two reactants are different species? *) + (if fast then Options.get_leak_rate_l opts + else Options.get_leak_rate_w opts) |> Crn_ma + | Tau _ -> Options.get_tau_rate opts |> Crn_ma + | Displace(before,ns,after) -> + if Options.getSequenceRates opts then + (displacementRateSequence opts mapping before ns after) |> Crn_ma + else + (migrationRate opts ns) |> Crn_ma + | Migrate(before,ns,after) | MigrateOpen(before,ns,after) -> + if Options.getSequenceRates opts then + (migrationRateSequence opts mapping before ns after) |> Crn_ma + else + (migrationRate opts ns) |> Crn_ma + | Cover(_,n,_) -> + let thlen = Options.get_toehold_length opts in + let splen = Options.get_specificity_length opts in + let len = Domain.length thlen splen n in + Expression.div (Options.get_elementary_migration_rate opts) (Expression.Float (float (len * len))) |> Crn_ma + | OrigamiReact(_,r,_) | OrigamiEntry(_,_,r,_) | OrigamiExpel(_,r,_) | OrigamiExchange(_,_,r,_) -> rate z opts Sequence.empty r + | Remote (ds,r) -> + (match Options.get_pinleak_rate opts with + | Some e -> Crn_ma e + | None -> + let thlen = Options.get_toehold_length opts in + let splen = Options.get_specificity_length opts in + let len = ds |> List.sumBy (Domain.length thlen splen) |> float in + let local_conc = 10000.0 / len in + (match rate z opts mapping r with + | Crn_ma v -> v |> Expression.mul (Expression.Float local_conc) |> Crn_ma + | Crn_func f -> Expression.Times [Expression.Float local_conc; f] |> Crn_func) + ) + | Nick _ -> Expression.Float 1.0 |> Crn_ma (* TODO: put in Options? *) + | Replication (_,_,n1,n2,_) -> + let copy_rate = 1.0 in (* TODO: put in Options? *) + let copy_displace_rate = 1.0 in (* TODO: put in Options? *) + let rate = copy_rate / (float n1) + copy_displace_rate / (float n2) in + Expression.Float rate |> Crn_ma + | Chemical r -> r.ma_rate + +(* Do two reactions have matching species? *) +let matching_species (opts:options) (r1:t) (r2:t) = + (Lib.is_permutation (Species.equal opts) (reactants r1) (reactants r2)) && + (Lib.is_permutation (Species.equal opts) (products r1) (products r2)) + +(* Does a reaction have matching species with an sreaction? *) +let matching_species_rsr (opts:options) (r1:t) (r2:sreaction) = + (Mset.is_perm (Species.equal opts) (Mset.from_list (reactants r1)) r2.reactants) && + (Mset.is_perm (Species.equal opts) (Mset.from_list (products r1)) r2.products) + + +(* Do two reactions have matching kinds and matching species? *) +let rec matching_reactions (opts:options) (r1:t) (r2:t) = + match r1,r2 with + | Unbind _, Unbind _ | Tau _ , Tau _ | Migrate _ , Migrate _ + | Displace _ , Displace _ | Cover _ , Cover _ | MigrateOpen _ , MigrateOpen _ | UnbindOpen _ , UnbindOpen _ + | Bind _ , Bind _ | Leak _ , Leak _ | Pin _ , Pin _ | Chemical _, Chemical _-> matching_species opts r1 r2 + | OrigamiReact(_,r1t,_),OrigamiReact(_,r2t,_) | OrigamiExpel(_,r1t,_),OrigamiExpel(_,r2t,_) + | OrigamiEntry(_,_,r1t,_),OrigamiEntry(_,_,r2t,_) | OrigamiExchange(_,_,r1t,_),OrigamiExchange(_,_,r2t,_) -> matching_reactions opts r1t r2t + | Nick (_, e1, _), Nick (_, e2, _) | Replication (_, e1, _, _, _), Replication (_, e2, _, _, _) -> e1 = e2 && matching_species opts r1 r2 + | Remote (ds1, r1), Remote (ds2, r2) -> ds1 = ds2 && matching_species opts r1 r2 + | _,_ -> false + +(* Is a particular reaction a leak? fast leak? slow leak? tau reaction? *) +let is_leak = function Leak _ -> true | _ -> false +let is_fast_leak = function Leak(_,_,true,_) -> true | _ -> false +let is_slow_leak = function Leak(_,_,false,_) -> true | _ -> false +let is_tau = function Tau _ -> true | _ -> false + +let looks_like_leak o (r:sreaction) = + match r.rate with + | Rate.MassAction f -> f = Options.get_leak_rate_l o || f = Options.get_leak_rate_w o + | _ -> false + +(* Decide whether a reaction is circular (i.e. products = reactants). *) +let is_circular (opts:options) (r:t) = Lib.is_permutation (Species.equal opts) (reactants r) (products r) + +(* Produce labels for reactions. *) +let bme_label (r:sreaction) = r.rate.to_string (Expression.to_string id) (Expression.to_string (Key.to_string Species.display)) + (* + match rate z opts r with + | Expression.PrimFloat r -> Lib.display_float r + | Expression.PrimVar s -> s + *) + +(* +let leak_label (fast:bool) = if fast then "leak_l" else "leak_w" +let label (r:t) = match r with + | Unbind(_,n,_) | Bind(_,_,n,_) -> Domain.display n + | Leak(_,_,fast,_) -> leak_label fast + | Tau _ -> "tau" + | Displace(_,ns,_) -> "displace" + | Migrate(_,ns,_) -> "migrate" + | Cover(_,n,_) -> "cover" + | Chemical cr -> "chemical" + Expression.to_string cr.ma_rate + +let sbml_label (r:t) = match r with + | Unbind _ -> "unbind" | Bind _ -> "bind" | Tau _ -> "tau" | Leak(_,_,fast,_) -> leak_label fast + | Displace _ -> "displace" | Migrate _ -> "migrate" | Cover _ -> "cover" + +(* Get toehold specificity for a binding / unbinding reaction. *) +let toehold_specificity (r:t) = match r with + | Unbind(_,n,_) | Bind(_,_,n,_) -> + (match n with + | Domain.Toe(_,spec,_) -> Some spec + | Domain.Normal(_,_) -> failwith ("Error - Normal domain " + (Domain.display n) + " in Reaction.t")) + | _ -> None +*) + +(* Get string representations of the products, reactants and domain involved in a reaction. *) +let get_product_strings (r:t) : string list = List.map Species.display (products r) +let get_reactant_strings (r:t) : string list = List.map Species.display (reactants r) +(* +let get_product_strings_sorted (r:t) : string list = Lib.sort String.compare (get_product_strings r) +let get_reactant_strings_sorted (r:t) : string list = Lib.sort String.compare (get_reactant_strings r) +*) + +(* String representations of (reversible) reactions. *) +let display_reversible _ (opts:options) ((r,rinv):sreaction*sreaction option) = + let reactants = List.map Species.display (Mset.to_list r.reactants) in + let products = List.map Species.display (Mset.to_list r.products) in + let arrow = (match rinv with Some rinv -> "{" + (bme_label rinv) + "}<" | None -> "") + + (if looks_like_leak opts r then "~" else "-") + ">{" + (bme_label r) + "}" + in + (Lib.string_of_list Lib.id " + " reactants) + " " + arrow + " " + (Lib.string_of_list Lib.id " + " products) + +(* String representation of a list of (reversible) reactions. *) +let display_reversibles (z:settings) (opts:options) (rs:(sreaction*sreaction option) list) = + let newline:string = "\r\n" in + let sb = Stringbuilder.empty () in + List.iter (fun r -> Stringbuilder.append sb newline; Stringbuilder.append sb (display_reversible z opts r)) rs; + Stringbuilder.value sb + +(* Produce a DOT representation of a (reversible) reaction. *) +let to_dot_reversible _ (opts:options) (i:int) ((r,rinv):sreaction*sreaction option) = + let quote (s:string) = "\"" + s + "\"" in + let newline:string = "\r\n" in + let ident (i:int) = quote ("i" + (string i)) in + (*let mklabel r = match r with Unbind _ -> "rm" + (label r) | _ -> "r" + (label r) in*) + let r_gates,r_strands,_ = Species.separate (Mset.to_list r.reactants) in + let p_gates,p_strands,_ = Species.separate (Mset.to_list r.products) in + let mkColour r = if looks_like_leak opts r then "grey" else "black" in (*match r with Tau _ -> "purple" | Leak _ -> "grey" | _ -> "black" in*) + let r_edge_dir = match rinv with Some _ -> "back" | None -> "none" in + let r_edge_colour = match rinv with Some rinv -> mkColour rinv | None -> mkColour r in + let p_edge_colour = mkColour r in + (* The intermediate node for this reaction. *) + newline + ident i + "[label = \"" + (bme_label r) + + (match rinv with Some rinv -> "\\n" + (bme_label rinv) | None -> "") + "\", shape=box, width=0.1, height=0.1]" + + (* Edges from the reactants to the intermediate node. *) + newline + "{" + (Lib.string_of_list (Gate.display >> quote) " " r_gates) + + (match r_gates,r_strands with (_::_),(_::_) -> " " | _,_ -> "") + + (Lib.string_of_list (Strand.display >> quote) " " r_strands) + "}" + + " -> " + ident i + "[dir=" + r_edge_dir + ", color=" + r_edge_colour + "]" + + (* Edges from the intermediate node to the products. *) + newline + ident i + " -> " + + "{" + (Lib.string_of_list (Gate.display >> quote) " " p_gates) + + (match p_gates,p_strands with (_::_),(_::_) -> " " | _,_ -> "") + + (Lib.string_of_list (Strand.display >> quote) " " p_strands) + "}" + + "[color=" + p_edge_colour + "]" + +(* DOT representation of a list of (reversible) reactions. *) +let to_dot_reversibles (z:settings) (opts:options) (rs:(sreaction*sreaction option) list) = + let preamble = "digraph G {node[fontsize = 20, shape=box] edge[fontsize = 20,fontname=times] " in + let postamble = "\n}" in + let sb = Stringbuilder.init preamble in + Lib.iteri (fun i r -> Stringbuilder.append sb (to_dot_reversible z opts (i+1) r)) rs; + Stringbuilder.append sb postamble; + Stringbuilder.value sb + +(* Does r2 match as an inverse for r1? *) +let inverse (opts:options) (r1:t) (r2:t) = + (is_leak r1) = (is_leak r2) && + (Lib.is_permutation (Species.equal opts) (reactants r1) (products r2)) && + (Lib.is_permutation (Species.equal opts) (reactants r2) (products r1)) + +(* Turn a list of normal reactions into a list of (potentially) reversible ones. *) +let rec reversibles (opts:options) (rs:t list) = + match rs with + | [] -> [] + | r::rs -> + let invs = List.filter (inverse opts r) rs + (match invs with (* %%%% Currently keeps the first inverse and throws the others away. *) + | rinv::_ -> (r,Some rinv)::(reversibles opts (List.filter (fun r' -> not(List.contains r' invs)) rs)) + | [] -> (r,None)::(reversibles opts rs)) + +(* Put all reactants and products in a reaction into standard form in one go. *) +let rec standard_form (opts:options) (r:t) = + //let sf_c c = Branch.standard_form opts c in + let sf_g g = Gate.standard_form opts g in + let sf_o o = Origami.standard_form opts o in + let sf_i i = Species.standard_form opts i in + let sf_is is = List.map sf_i is in + match r with + | Unbind(g,n,is) -> Unbind((sf_g g),n,(sf_is is)) + | Bind(i1,i2,n,is) -> Bind((sf_i i1),(sf_i i2),n,(sf_is is)) + | Leak(i1,i2,fast,is) -> Leak((sf_i i1),(sf_i i2),fast,(sf_is is)) + | Tau(g,is) -> Tau((sf_g g),(sf_is is)) + | Displace(g,ns,is) -> Displace((sf_g g),ns,(sf_is is)) + | Migrate(g,ns,g') -> Migrate((sf_g g),ns,(sf_g g')) + | Cover(g,ns,g') -> Cover((sf_g g),ns,(sf_g g')) + | MigrateOpen(g,ns,g') -> MigrateOpen((sf_g g), ns, (sf_g g')) + | UnbindOpen(g,n,is) -> UnbindOpen((sf_g g), n, (sf_is is)) + | Pin(s,n,is) -> Pin((sf_i s),n,(sf_is is)) + | OrigamiReact(o,r,o') -> OrigamiReact((sf_o o),standard_form opts r,(sf_o o')) + | OrigamiEntry(o,s,r,o') -> OrigamiEntry((sf_o o),(sf_i s),standard_form opts r,(sf_o o')) + | OrigamiExpel(o,r,is) -> OrigamiExpel((sf_o o),standard_form opts r,(sf_is is)) + | OrigamiExchange(o,s,r,is) -> OrigamiExchange((sf_o o),(sf_i s),standard_form opts r,(sf_is is)) + | Remote(ds,r) -> Remote(ds, standard_form opts r) + | Nick (i, e, i') -> Nick (sf_i i, e, sf_i i') + | Replication (i, e, n1, n2, is) -> Replication (sf_i i, e, n1, n2, sf_is is) + | Chemical r -> Chemical (map_mass_action_reaction sf_i r) + +(******************************************************************************) + +(** Compute all possible unbinding reactions from a gate. *) +let unbind_reactions sub_map (opts:options) (g:gate) = + let build_single_step (g,n,gs',ss') = standard_form opts (Unbind(g,n,(Species.collate gs' ss' []))) in (* sem = Detailed *) + let build_merged_original (g,n,gs',ss') = (* sem = Default *) + let gs' = List.map (Gate.standard_form opts) gs' in + match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (Unbind(g,n,(Species.collate gs' ss' [])))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Unbind(g,n,(Species.collate gs'' (ss'@ss'') [])))) rs + in + match (Options.getRules opts) with + | Options.Detailed -> List.map build_single_step (Gate.unsticking_reactions sub_map opts g) + | Options.Default -> Lib.collect build_merged_original (Gate.unsticking_reactions sub_map opts g) + | Options.Infinite | Options.Finite -> [] + +(** Compute all possible unbind reactions that open a hairpin *) +let unbind_open_reactions sub_map (opts:options) (g:gate) = + let build_single_step (g,n,gs',s') = standard_form opts (UnbindOpen(g,n,(Species.collate gs' s' []))) in (* sem = Detailed *) + let build_merged_original (g,n,gs',s') = + let gs' = List.map (Gate.standard_form opts) gs' in + match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (UnbindOpen(g,n,(Species.collate gs' s' [])))] + | rs -> List.map (fun (gs'', ss'') -> standard_form opts (Unbind(g,n,(Species.collate gs'' ss'' [])))) rs + in + match (Options.getRules opts) with + | Options.Detailed -> List.map build_single_step (Gate.unbind_open_reactions opts g) + | Options.Default -> Lib.collect build_merged_original (Gate.unbind_open_reactions opts g) + | _ -> [] + +(** Compute all possible binding reactions between a new strand and the existing gates/strands. *) +let bind_reactions_new_strand sub_map (opts:options) (s:strand) (existing_gs:gate list) (existing_ss:strand list) = + (* Function to stick new strand to gates. *) + let build_sg (g,s,n,g') = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> [standard_form opts (Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']))] + | Options.Default | Options.Infinite -> + let g' = Gate.standard_form opts g' in + (match (Gate.fast_reactions sub_map opts [g']) with + | [] -> [standard_form opts (Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Bind(Species.GATE g, Species.STRAND s, n, (Species.collate gs'' ss'' [])))) rs) + in + (* Function to stick new strand to existing strands. *) + let build_ss (s1,s2,n,g') = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> [standard_form opts (Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g']))] + | Options.Default | Options.Infinite -> + let g' = Gate.standard_form opts g' in + (match (Gate.fast_reactions sub_map opts [g']) with + | [] -> [standard_form opts (Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g']))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Bind(Species.STRAND s1, Species.STRAND s2, n, (Species.collate gs'' ss'' [])))) rs) + in + (* Collect all the reactions up! *) + let unproductive = Options.getUnproductive opts in + (Lib.collect build_sg (Lib.collect (Gate.stick_strand_to_gate sub_map unproductive s) existing_gs)) @ + (Lib.collect build_ss (Lib.collect (Gate.stick_strand_to_strand sub_map unproductive s) existing_ss)) + +(** Compute all possible binding reactions between a new gate and the existing gates/strands. *) +let bind_reactions_new_gate sub_map (opts:options) (g:gate) (existing_gs:gate list) (existing_ss:strand list) = + (* Function to stick new gate to existing strands. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% UGH - CODE DUPLICATION... *) + let build_sg (g,s,n,g') = + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> [standard_form opts (Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']))] + | Options.Default + | Options.Infinite -> + let g' = Gate.standard_form opts g' in + (match (Gate.fast_reactions sub_map opts [g']) with + | [] -> [standard_form opts (Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Bind(Species.GATE g, Species.STRAND s, n, (Species.collate gs'' ss'' [])))) rs) + in + (* Function to stick new gate to existing gates. *) + let build_gg (g1,g2,n,g') = + if (Options.getPolymers opts) + then + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> [standard_form opts (Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']))] + | Options.Default | Options.Infinite -> + let g' = Gate.standard_form opts g' in + (match (Gate.fast_reactions sub_map opts [g']) with + | [] -> [standard_form opts (Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Bind(Species.GATE g1, Species.GATE g2, n, (Species.collate gs'' ss'' [])))) rs) + else + Errors.illegal_polymerisation_error (Gate.display g1) (Gate.display g2) + in + let strand_gate_reactions = + Lib.collect build_sg (Lib.collect (fun s -> Gate.stick_strand_to_gate sub_map (Options.getUnproductive opts) s g) existing_ss) + in + let gate_gate_reactions = + Lib.collect build_gg (Lib.collect (Gate.stick_gate_to_gate sub_map opts g) (g::existing_gs)) + in + strand_gate_reactions @ gate_gate_reactions + +(** Compute all possible binding reactions in a new strand that make a hairpin. *) +let pin_reactions_new_strand sub_map (opts:options) (s:strand) = + (* Function to pin new strand into hairpin. *) + let build_pins (s1,n,g') = + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> [standard_form opts (Pin(Species.STRAND s1, n, [Species.GATE g']))] + | Options.Default + | Options.Infinite -> + let g' = Gate.standard_form opts g' in + (match (Gate.fast_reactions sub_map opts [g']) with + | [] -> [standard_form opts (Pin(Species.STRAND s1, n, [Species.GATE g']))] + | rs -> List.map (fun (gs,ss) -> standard_form opts (Pin(Species.STRAND s1, n, (Species.collate gs ss [])))) rs) + in + (Lib.collect build_pins (Gate.pin_strand (Options.getUnproductive opts) s)) + +(** Compute all possible pining reactions in a new gate. *) +let pin_reactions_new_gate sub_map (opts:options) (g:gate) = + let build_gg (g,n,g') = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> [standard_form opts (Pin(Species.GATE g, n, [Species.GATE g']))] + | Options.Default | Options.Infinite -> + let g'' = Gate.standard_form opts g' in + (match (Gate.fast_reactions sub_map opts [g'']) with + | [] -> [standard_form opts (Pin(Species.GATE g, n, [Species.GATE g'']))] + | rs -> List.map (fun (gs,ss) -> standard_form opts (Pin(Species.GATE g, n, (Species.collate gs ss [])))) rs) + in + let pin_gate_reactions = Lib.collect build_gg (Gate.pin_gate (Options.getUnproductive opts) g) + in pin_gate_reactions + +(** Compute all possible leak pin migration reactions on a new gate. *) +let pin_migration_new_gate sub_map (opts:options) (g:gate) = + if Options.getPinLeaks opts then + let build (hp,g,ns,g') = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> [standard_form opts (Remote(hp,Migrate(g,ns,g')))] + | Options.Default | Options.Infinite -> + let g'' = Gate.standard_form opts g' in + (match (Gate.fast_reactions sub_map opts [g'']) with + | [] -> [standard_form opts (Remote(hp,Migrate(g,ns,g'')))] + | rs -> List.map (fun (gs,ss) -> standard_form opts (Remote(hp,Displace(g, ns, (Species.collate gs ss []))))) rs) + in + Lib.collect build (Gate.close_migration_reactions opts g) + else [] + +(** Compute all possible leak pin displacing reactions on a new gate. *) +let pin_displacing_new_gate sub_map (opts:options) (g:gate) = + if Options.getPinLeaks opts then + let build (hp,g,ds,gs,ss) = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> [standard_form opts (Remote(hp,Displace (g, ds, (List.map Species.STRAND ss)@(List.map Species.GATE gs))))] + | Options.Default | Options.Infinite -> + let gs' = List.map (Gate.standard_form opts) gs in + (match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (Remote(hp,Displace (g, ds, (List.map Species.STRAND ss)@(List.map Species.GATE gs'))))] + | rs -> List.map (fun (gs,ss) -> standard_form opts (Remote(hp,Displace(g, ds, (Species.collate gs ss []))))) rs) + in + Lib.collect build (Gate.close_displacing_reactions opts g) + else [] + +(** Compute all possible leak pin open reactions on a new gate. *) +let pin_open_new_gate (opts:options) (g:gate) = + if Options.getPinLeaks opts then + List.map (fun (hp,g,ns,g') -> standard_form opts (Remote(hp,MigrateOpen(g,ns,g')))) (Gate.close_open_reactions opts g) + else [] + +(** Compute all possible leak reactions between a new strand and the existing gates/strands. *) +let leak_reactions_new_strand sub_map (opts:options) (s:strand) (existing_gs:gate list) _ = + if (Options.getLeaks opts) then + let build_single_step (g,s,fast,gs',ss') = [standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs' ss' [])))] in (* sem = Detailed *) + let build_merged_tau (g,s,fast,gs',ss') = [standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs' ss' [])))] in (* sem = Finite *) + let build_merged_original (g,s,fast,gs',ss') = (* sem = Default *) + let gs' = List.map (Gate.standard_form opts) gs' in + match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs' ss' [])))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs'' (ss'@ss'') [])))) rs + in + let build_merged_infinite (g,s,fast,gs',ss') = (* sem = InFinite *) (* %%%%%%%%%%%%%%%%%%%% CODE DUPLICATION!!! *) + let gs' = List.map (Gate.standard_form opts) gs' in + match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs' ss' [])))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs'' (ss'@ss'') [])))) rs + in + let build = + match (Options.getRules opts) with + | Options.Detailed -> build_single_step + | Options.Finite -> build_merged_tau + | Options.Default -> build_merged_original + | Options.Infinite -> build_merged_infinite + in + Lib.collect build (Lib.collect (Gate.leak_strand_into_gate opts s) existing_gs) + else + [] + +(** Compute all possible leak reactions between a new gate and the existing gates/strands. *) +let leak_reactions_new_gate sub_map (opts:options) (g:gate) (existing_gs:gate list) (existing_ss:strand list) = + if (Options.getLeaks opts) then + (* Functions for dealing with strand-gate leaks. *) + let build_sg_single_step (g,s,fast,gs',ss') = [standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs' ss' [])))] in (* sem = Detailed *) + let build_sg_merged_tau (g,s,fast,gs',ss') = [standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs' ss' [])))] in (* sem = Finite *) + let build_sg_merged_original (g,s,fast,gs',ss') = (* sem = Default *) + let gs' = List.map (Gate.standard_form opts) gs' in + match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs' ss' [])))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs'' (ss'@ss'') [])))) rs + in + let build_sg_merged_infinite (g,s,fast,gs',ss') = (* sem = InFinite *) (* %%%%%%%%%%%%%%%%%%%% CODE DUPLICATION!!! *) + let gs' = List.map (Gate.standard_form opts) gs' in + match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs' ss' [])))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Leak(Species.GATE g, Species.STRAND s, fast, (Species.collate gs'' (ss'@ss'') [])))) rs + in + let build_sg = + match (Options.getRules opts) with + | Options.Detailed -> build_sg_single_step + | Options.Finite -> build_sg_merged_tau + | Options.Default -> build_sg_merged_original + | Options.Infinite -> build_sg_merged_infinite + in + (* Functions for dealing with gate-gate leaks. *) + let build_gg_single_step (g1,g2,fast,gs',ss') = [standard_form opts (Leak(Species.GATE g1, Species.GATE g2, fast, (Species.collate gs' ss' [])))] in (* sem = Detailed *) + let build_gg_merged_tau (g1,g2,fast,gs',ss') = [standard_form opts (Leak(Species.GATE g1, Species.GATE g2, fast, (Species.collate gs' ss' [])))] in (* sem = Finite *) + let build_gg_merged_original (g1,g2,fast,gs',ss') = (* sem = Default *) + let gs' = List.map (Gate.standard_form opts) gs' in + match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (Leak(Species.GATE g1, Species.GATE g2, fast, (Species.collate gs' ss' [])))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Leak(Species.GATE g1, Species.GATE g2, fast, (Species.collate gs'' (ss'@ss'') [])))) rs + in + let build_gg_merged_infinite (g1,g2,fast,gs',ss') = (* sem = InFinite *) (* %%%%%%%%%%%%%%%%%%%% CODE DUPLICATION!!! *) + let gs' = List.map (Gate.standard_form opts) gs' in + match (Gate.fast_reactions sub_map opts gs') with + | [] -> [standard_form opts (Leak(Species.GATE g1, Species.GATE g2, fast, (Species.collate gs' ss' [])))] + | rs -> List.map (fun (gs'',ss'') -> standard_form opts (Leak(Species.GATE g1, Species.GATE g2, fast, (Species.collate gs'' (ss'@ss'') [])))) rs + in + let build_gg = + match (Options.getRules opts) with + | Options.Detailed -> build_gg_single_step + | Options.Finite -> build_gg_merged_tau + | Options.Default -> build_gg_merged_original + | Options.Infinite -> build_gg_merged_infinite + in + (* Gather up the different kinds of interaction. *) + let strand_gate_leaks = Lib.collect build_sg (Lib.collect (fun s -> Gate.leak_strand_into_gate opts s g) existing_ss) in + (* If we've not selected polymers, do we throw an exception here? *) + let gate_gate_leaks = + if (Options.getPolymers opts) + then Lib.collect build_gg (Lib.collect (Gate.leak_gate_into_gate opts g) (g::existing_gs)) + else [] (* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% failwith "Leaks enabled but polymers disabled. Should polymerising leaks be silently ignored?" *) + in + (* NB: Loop over g::gs because g could polymerise with another copy of itself. *) + strand_gate_leaks @ gate_gate_leaks + else [] + +(** Compute all possible tau reactions from a gate. *) +let tau_reactions sub_map (opts:options) (g:gate) = + let sem = Options.getRules opts in + match sem with + | Options.Finite -> List.map (fun (gs',ss') -> standard_form opts (Tau(g,(Species.collate gs' ss' [])))) (Gate.fast_reactions sub_map opts [g]) + | Options.Default | Options.Infinite | Options.Detailed -> [] + +(** Compute all possible displacement reactions from a gate. *) +let displacement_reactions (opts:options) (g:gate) = + let sem = Options.getRules opts in + match sem with + | Options.Detailed -> List.map (fun (g,ns,gs',ss') -> standard_form opts (Displace(g,ns,(Species.collate gs' ss' [])))) (Gate.displacement_reactions opts g) + | Options.Default | Options.Infinite | Options.Finite -> [] + +(** Compute all possible migration reactions on a gate. *) +let migration_reactions (opts:options) (g:gate) = + let sem = Options.getRules opts in + match sem with + | Options.Detailed -> List.map (fun (g,ns,g') -> standard_form opts (Migrate(g,ns,g'))) (Gate.migration_reactions g) + | Options.Default | Options.Infinite | Options.Finite -> [] + +(** Compute all possible migration open reactions on a gate. *) +let migration_open_reactions (opts:options) (g:gate) = + match Options.getRules opts with + | Options.Detailed -> List.map (fun (g,ns,g') -> standard_form opts (MigrateOpen(g,ns,g'))) (Gate.open_migration_reactions opts g) + | Options.Default | Options.Infinite | Options.Finite -> [] + +(** Compute all possible cover reactions on a gate. *) +let cover_reactions (opts:options) (g:gate) = + let sem = Options.getRules opts in + match sem with + | Options.Detailed -> List.map (fun (g,n,g') -> standard_form opts (Cover(g,n,g'))) (Gate.cover_reactions g) + | Options.Default | Options.Infinite | Options.Finite -> [] + +(******************************************************************************) +(* Reactions between origami and other species *) + + +(* Origami entry reactions with a new gate *) +let entry_reactions_new_gate sub_map (opts:options) (g:gate) (existing_os:origami list) = + let build_ogs (o,(g,s,n,g',o')) = + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [standard_form opts (OrigamiEntry(o,Species.GATE g,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | Options.Default + | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiEntry(o,Species.GATE g,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiEntry(o,Species.GATE g,(Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g'])),o'')) + else standard_form opts (OrigamiExchange(o,Species.GATE g,(Bind(Species.GATE g, Species.STRAND s, n,[Species.GATE g'])),Species.collate gs' ss' [o'']))) + rs) + + let build_ogg (o,(g1,g2,n,g',o')) = + if (Options.getPolymers opts) then + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [standard_form opts (OrigamiEntry(o,Species.GATE g1,Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']),o'))] + | Options.Default + | Options.Infinite -> + let o' = Origami.standard_form opts o' + match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiEntry(o,Species.GATE g1,Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiEntry(o,Species.GATE g1,Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']),o'')) + else standard_form opts (OrigamiExchange(o,Species.GATE g1, Bind(Species.GATE g1,Species.GATE g2,n,[Species.GATE g']), Species.collate gs' ss' [o'']))) + rs + else + Errors.illegal_polymerisation_error (Gate.display g1) (Gate.display g2) + + let gate_strand_entries = Lib.collect (fun o -> List.map (fun r -> (o,r)) (Origami.entry_reactions_gs sub_map opts o g)) existing_os + let gate_gate_entries = Lib.collect (fun o -> List.map (fun r -> (o,r)) (Origami.entry_reactions_gg sub_map opts o g)) existing_os + (Lib.collect build_ogs gate_strand_entries)@(Lib.collect build_ogg gate_gate_entries) + +(* Origami entry reactions with a new gate *) +let entry_reactions_new_strand sub_map (opts:options) (s:strand) (existing_os:origami list) = + let build_oss (o,(s1,s2,n,g',o')) = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> + [standard_form opts (OrigamiEntry(o,Species.STRAND s1,Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g']),o'))] + | Options.Default | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiEntry(o,Species.STRAND s1,Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiEntry(o,Species.STRAND s1,(Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g'])),o'')) + else standard_form opts (OrigamiExchange(o,Species.STRAND s1,Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g']), Species.collate gs' ss' [o'']))) + rs) + + let build_osg (o,(g,s,n,g',o')) = + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [standard_form opts (OrigamiEntry(o,Species.STRAND s,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | Options.Default + | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiEntry(o,Species.STRAND s,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiEntry(o,Species.STRAND s,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'')) + else standard_form opts (OrigamiExchange(o,Species.STRAND s, Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),Species.collate gs' ss' [o'']))) + rs) + + let strand_strand_entries = Lib.collect (fun o -> List.map (fun r -> (o,r)) (Origami.entry_reactions_ss sub_map opts o s)) existing_os + let strand_gate_entries = Lib.collect (fun o -> List.map (fun r -> (o,r)) (Origami.entry_reactions_sg sub_map opts o s)) existing_os + (Lib.collect build_oss strand_strand_entries)@(Lib.collect build_osg strand_gate_entries) + +(* All entry reactions that occur when a new origami is created *) +let entry_reactions_new_origami sub_map (opts:options) (o:origami) (existing_ss:strand list) (existing_gs:gate list) = + let build_ogs (g,s,n,g',o') = + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [standard_form opts (OrigamiEntry(o,Species.GATE g,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | Options.Default + | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiEntry(o,Species.GATE g,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiEntry(o,Species.GATE g,(Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g'])),o'')) + else standard_form opts (OrigamiExchange(o,Species.GATE g,(Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g'])),Species.collate gs' ss' [o'']))) + rs) + + let build_ogg (g1,g2,n,g',o') = + if (Options.getPolymers opts) then + let inner_react = Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']) in + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [standard_form opts (OrigamiEntry(o,Species.GATE g1,inner_react,o'))] + | Options.Default + | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiEntry(o,Species.GATE g1,inner_react,o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiEntry(o,Species.GATE g1,inner_react,o'')) + else standard_form opts (OrigamiExchange(o,Species.GATE g1,inner_react,Species.collate gs' ss' [o'']))) + rs) + else + Errors.illegal_polymerisation_error (Gate.display g1) (Gate.display g2) + + let build_oss (s1,s2,n,g',o') = + let inner_react = Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g']) in + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> + [standard_form opts (OrigamiEntry(o,Species.STRAND s1,inner_react,o'))] + | Options.Default | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiEntry(o,Species.STRAND s1,inner_react,o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiEntry(o,Species.STRAND s1,inner_react,o'')) + else standard_form opts (OrigamiExchange(o,Species.STRAND s1,inner_react,Species.collate gs' ss' [o'']))) + rs) + + let build_osg (g,s,n,g',o') = + let inner_react = Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']) in + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> + [standard_form opts (OrigamiEntry(o,Species.STRAND s,inner_react,o'))] + | Options.Default | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiEntry(o,Species.STRAND s,inner_react,o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiEntry(o,Species.STRAND s,inner_react,o'')) + else standard_form opts (OrigamiExchange(o,Species.STRAND s,inner_react,Species.collate gs' ss' [o'']))) + rs) + + let strand_strand_entries = Lib.collect (Origami.entry_reactions_ss sub_map opts o) existing_ss + let strand_gate_entries = Lib.collect (Origami.entry_reactions_sg sub_map opts o) existing_ss + let gate_strand_entries = Lib.collect (Origami.entry_reactions_gs sub_map opts o) existing_gs + let gate_gate_entries = Lib.collect (Origami.entry_reactions_gg sub_map opts o) existing_gs + + (Lib.collect build_oss strand_strand_entries)@ + (Lib.collect build_osg strand_gate_entries)@ + (Lib.collect build_ogs gate_strand_entries)@ + (Lib.collect build_ogg gate_gate_entries) + + +(******************************************************************************) + +(* Is a reaction an origami reaction from given origami *) +let origami_reaction (o:origami) = function + | OrigamiReact(o',_,_) + | OrigamiEntry (o',_,_,_) + | OrigamiExpel (o',_,_) + | OrigamiExchange(o',_,_,_) -> o=o' (* RLP: Does this expect normal form? *) + | _ -> false + +let looks_like_origami_reaction (o:origami) (r:sreaction) = + r.reactants |> Mset.nonzero_elements |> List.exists ((=) (Species.ORIGAMI o)) (* RLP: Does this expect normal form? *) + +(* Pull out the internal reaction that happened within the origami *) +let origami_internal_reaction = function + | OrigamiReact(_,r,_) + | OrigamiEntry(_,_,r,_) + | OrigamiExpel(_,r,_) + | OrigamiExchange(_,_,r,_) -> r + | _ -> failwith "origami_internal_reaction not given only origami reactions" + +(* Use the reactants of existing origami reactions to eliminate gates from other reactions, since they existed on previous iterations *) +let rec origami_possible_new_gates (opts:options) (rs:t list) (o: origami) (gates : gate list)= + let ors = List.filter (origami_reaction o) rs + let reactant_gates = + ors + |> Lib.collect (fun r -> + match origami_internal_reaction r,r with + | Unbind(g,_,_),_ + | UnbindOpen(g,_,_),_ + | Pin(Species.GATE g,_,_),_ + | Tau(g,_),_ + | Displace(g,_,_),_ + | Migrate(g,_,_),_ + | Cover(g,_,_),_ + | MigrateOpen(g,_,_),_ + -> [g] + + | Bind(Species.GATE g,Species.STRAND _ ,_,_),OrigamiEntry(_,Species.STRAND _,_,_) + | Bind(Species.STRAND _ ,Species.GATE g,_,_),OrigamiEntry(_,Species.STRAND _,_,_) + | Bind(Species.GATE g,Species.STRAND _ ,_,_),OrigamiExchange(_,Species.STRAND _,_,_) + | Bind(Species.STRAND _ ,Species.GATE g,_,_),OrigamiExchange(_,Species.STRAND _,_,_) + -> [g] + + | Bind(Species.GATE g,Species.STRAND _ ,_,_),OrigamiEntry(_,Species.GATE g1,_,_) + | Bind(Species.STRAND _ ,Species.GATE g,_,_),OrigamiEntry(_,Species.GATE g1,_,_) + | Bind(Species.GATE g,Species.STRAND _ ,_,_),OrigamiExchange(_,Species.GATE g1,_,_) + | Bind(Species.STRAND _ ,Species.GATE g,_,_),OrigamiExchange(_,Species.GATE g1,_,_) + -> if Gate.equal opts g g1 then [] else [g] + + | Bind(Species.GATE g1,Species.GATE g2,_,_),OrigamiEntry(_,Species.GATE g,_,_) + | Bind(Species.GATE g1,Species.GATE g2,_,_),OrigamiExchange(_,Species.GATE g,_,_) + -> if Gate.equal opts g g1 then [g2] else [g1] + + | Bind(Species.GATE g,Species.STRAND _ ,_,_),_ + | Bind(Species.STRAND _ ,Species.GATE g,_,_), _ + -> [g] + + | Bind(Species.GATE g1,Species.GATE g2,_,_), _ + | Bind(Species.GATE g1,Species.GATE g2,_,_), _ + -> [g1;g2] + + | _ -> []) + Lib.difference (Gate.equal opts) gates reactant_gates + +(* Use the reactants of existing origami reactions to eliminate strands from other reactions, since they existed on previous iterations *) +let rec origami_possible_new_strands _ (rs:t list) (o:origami) (strands : strand list)= + let ors = List.filter (origami_reaction o) rs in + let reactant_strands = ors |> Lib.collect (fun r -> + match origami_internal_reaction r,r with + | Pin(Species.STRAND s,_,_),_ + | Bind(Species.STRAND s,Species.GATE _ ,_,_),OrigamiEntry(_,Species.GATE _,_,_) + | Bind(Species.GATE _ ,Species.STRAND s,_,_),OrigamiEntry(_,Species.GATE _,_,_) + | Bind(Species.STRAND s,Species.GATE _ ,_,_),OrigamiExchange(_,Species.GATE _,_,_) + | Bind(Species.GATE _ ,Species.STRAND s,_,_),OrigamiExchange(_,Species.GATE _,_,_) + -> [s] + + | Bind(Species.STRAND s,Species.GATE _ ,_,_),OrigamiEntry(_,Species.STRAND s1 ,_,_) + | Bind(Species.GATE _ ,Species.STRAND s,_,_),OrigamiEntry(_,Species.STRAND s1,_,_) + | Bind(Species.STRAND s,Species.GATE _ ,_,_),OrigamiExchange(_,Species.STRAND s1,_,_) + | Bind(Species.GATE _ ,Species.STRAND s,_,_),OrigamiExchange(_,Species.STRAND s1,_,_) + -> if Strand.equal s s1 then [] else [s] + + | Bind(Species.STRAND s,Species.GATE _ ,_,_), _ + | Bind(Species.GATE _ ,Species.STRAND s,_,_), _ + -> [s] + + | Bind(Species.STRAND s1,Species.STRAND s2,_,_),OrigamiEntry(_,Species.STRAND s,_,_) + | Bind(Species.STRAND s1,Species.STRAND s2,_,_),OrigamiExchange(_,Species.STRAND s,_,_) + -> if Strand.equal s s1 then [s2] else [s1] + + | Bind(Species.STRAND s1,Species.STRAND s2,_,_), _ + | Bind(Species.STRAND s1,Species.STRAND s2,_,_), _ + -> [s1;s2] + + | _ -> []) + Lib.difference Strand.equal strands reactant_strands + +(** Compute all possible unbinding reactions from a gate in an origami, that don't expel *) +let origami_unbind_reactions sub_map (opts:options) (o:origami) (gs:gate list) = + let build_single_step (g,n,gs',ss,o') = standard_form opts (OrigamiReact(o,Unbind(g,n,(Species.collate gs' ss [])),o')) in (* sem = Detailed *) + let build_merged_original (g,n,gs',ss,o') = (* sem = Default *) + let o' = Origami.standard_form opts o' in + match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiReact(o,Unbind(g,n,(Species.collate gs' ss [])),o'))] + | rs -> List.map (fun (gs'',ss',o'') -> + if List.isEmpty gs'' && List.isEmpty ss' + then standard_form opts (OrigamiReact(o,Unbind(g,n,(Species.collate gs' ss [])),o'')) + else standard_form opts (OrigamiExpel(o,Unbind(g,n,(Species.collate gs' ss [])),Species.collate gs'' ss' [o'']))) + rs + in + match (Options.getRules opts) with + | Options.Detailed -> List.map build_single_step (Lib.collect (fun g -> Origami.unsticking_reactions sub_map opts g o) gs) + | Options.Default -> Lib.collect build_merged_original (Lib.collect (fun g -> (Origami.unsticking_reactions sub_map opts g o)) gs) + | Options.Infinite | Options.Finite -> [] + +(** Compute all possible unbinding reactions from a gate in an origami, that do expel *) +let origami_unbind_reactions_expel sub_map (opts:options) (o:origami) (gs:gate list) = + let build_single_step (g,n,gs',ss,o',egs,ess) = + standard_form opts (OrigamiExpel(o,Unbind(g,n,(Species.collate gs' ss [])), + [Species.ORIGAMI(o')]@(List.map Species.GATE egs)@(List.map Species.STRAND ess))) in (* sem = Detailed *) + let build_merged_original (g,n,gs',ss,o',egs,ess) = (* sem = Default *) + match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiExpel(o,Unbind(g,n,(Species.collate gs' ss [])), + [Species.ORIGAMI o']@(List.map Species.GATE egs)@(List.map Species.STRAND ess)))] + | rs -> List.map (fun (gs'',ss',o'') -> + standard_form opts (OrigamiExpel(o,Unbind(g,n,(Species.collate gs' ss [])),Species.collate (egs@gs'') (ess@ss') [o'']))) + rs + in + match (Options.getRules opts) with + | Options.Detailed -> List.map build_single_step (Lib.collect (fun g -> Origami.unsticking_reactions_expel sub_map opts g o) gs) + | Options.Default -> Lib.collect build_merged_original (Lib.collect (fun g -> (Origami.unsticking_reactions_expel sub_map opts g o)) gs) + | Options.Infinite | Options.Finite -> [] + +(** Compute all possible unbind reactions that open a hairpin on gates in an origami*) +let origami_unbind_open_reactions sub_map (opts:options) (o:origami) (gs:gate list) = + let build_single_step (g,n,gs',s',o') = standard_form opts (OrigamiReact(o,UnbindOpen(g,n,(Species.collate gs' s' [])),o')) in + let build_merged_original (g,n,gs',s',o') = + let o' = Origami.standard_form opts o' in + match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiReact(o,UnbindOpen(g,n,(Species.collate gs' s' [])),o'))] + | rs -> List.map (fun (gs'', ss'',o'') -> + if List.isEmpty gs'' && List.isEmpty ss'' + then standard_form opts (OrigamiReact(o,Unbind(g,n,Species.collate gs' s' []),o'')) + else standard_form opts (OrigamiExpel(o,Unbind(g,n,Species.collate gs' s' []),Species.collate gs'' ss'' [o'']))) rs + in + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> List.map build_single_step (Lib.collect (fun g -> Origami.unbind_open_reactions opts g o) gs) + | Options.Default | Options.Infinite -> Lib.collect build_merged_original (Lib.collect (fun g -> (Origami.unbind_open_reactions opts g o)) gs) + +(** Compute all possible binding reactions in an origami with a new strands and gates *) +let origami_bind_reactions sub_map (opts:options) (o:origami) (ss:strand list) (gs:gate list) = + let build_ogs (g,s,n,g',o') = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> + [standard_form opts (OrigamiReact(o,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | Options.Default | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiReact(o,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiReact(o,(Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g'])),o'')) + else standard_form opts (OrigamiExpel(o,(Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g'])),Species.collate gs' ss' [o'']))) + rs) + in + let build_ogg (g1,g2,n,g',o') = + if (Options.getPolymers opts) + then + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [standard_form opts (OrigamiReact(o,Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']),o'))] + | Options.Default + | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiReact(o,Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiReact(o,Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']),o'')) + else standard_form opts (OrigamiExpel(o,Bind(Species.GATE g1, Species.GATE g2, n, [Species.GATE g']),Species.collate gs' ss' [o'']))) + rs) + else Errors.illegal_polymerisation_error (Gate.display g1) (Gate.display g2) + in + let build_oss (s1,s2,n,g',o') = + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [standard_form opts (OrigamiReact(o,Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g']),o'))] + | Options.Default + | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiReact(o,Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiReact(o,(Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g'])),o'')) + else standard_form opts (OrigamiExpel(o,(Bind(Species.STRAND s1, Species.STRAND s2, n, [Species.GATE g'])),Species.collate gs' ss' [o'']))) + rs) + in + let build_osg (g,s,n,g',o') = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> + [standard_form opts (OrigamiReact(o,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | Options.Default | Options.Infinite -> + let o' = Origami.standard_form opts o' in + (match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiReact(o,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'))] + | rs -> List.map (fun (gs',ss',o'') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiReact(o,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),o'')) + else standard_form opts (OrigamiExpel(o,Bind(Species.GATE g, Species.STRAND s, n, [Species.GATE g']),Species.collate gs' ss' [o'']))) + rs) + in + let gate_strand = Lib.collect build_ogs (Lib.collect (Origami.sticking_reactions_gs sub_map opts o) gs) in + let gate_gate = Lib.collect build_ogg (Lib.collect (Origami.sticking_reactions_gg sub_map opts o) gs) in + let strand_strand = Lib.collect build_oss (Lib.collect (Origami.sticking_reactions_ss sub_map opts o) ss) in + let strand_gate = Lib.collect build_osg (Lib.collect (Origami.sticking_reactions_sg sub_map opts o) ss) in + (*Remove duplicate reactions already found in gate_strand when there are "new" gates and strands *) + let strand_gate = if (List.isEmpty ss || List.isEmpty gs) then strand_gate (* exists??? *) + else Lib.fold_left (fun acc r -> if (Lib.forall (fun r2 -> matching_reactions opts r r2) gate_strand) then acc else r::acc) [] strand_gate in + strand_strand@strand_gate@gate_strand@gate_gate + +(** Compute all possible binding reactions that make a hairpin in an origami with new strands and gates. *) +let origami_pin_reactions sub_map (opts:options) (o:origami) = + let build_s (s1,n,g',o') = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> [standard_form opts (OrigamiReact(o,Pin(Species.STRAND s1, n, [Species.GATE g']),o'))] + | Options.Default | Options.Infinite -> + let o' = Origami.standard_form opts o' in + match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiReact(o,Pin(Species.STRAND s1, n, [Species.GATE g']),o'))] + | rs -> List.map + (fun (gs,ss,o'') -> + if List.isEmpty gs && List.isEmpty ss then + standard_form opts (OrigamiReact(o,Pin(Species.STRAND s1, n, [Species.GATE g']),o'')) + else + standard_form opts (OrigamiExpel(o,Pin(Species.STRAND s1, n, [Species.GATE g']), Species.collate gs ss [o'']))) + rs + + let build_g (g,n,g',o') = + match (Options.getRules opts) with + | Options.Detailed | Options.Finite -> [standard_form opts (OrigamiReact(o,Pin(Species.GATE g, n, [Species.GATE g']),o'))] + | Options.Default | Options.Infinite -> + let o' = Origami.standard_form opts o' in + match (Origami.fast_reactions sub_map opts o') with + | [] -> [standard_form opts (OrigamiReact(o,Pin(Species.GATE g, n, [Species.GATE g']),o'))] + | rs -> List.map + (fun (gs,ss,o'') -> + if List.isEmpty gs && List.isEmpty ss then + standard_form opts (OrigamiReact(o,Pin(Species.GATE g, n, [Species.GATE g']),o'')) + else + standard_form opts (OrigamiExpel(o,Pin(Species.GATE g, n, [Species.GATE g']),Species.collate gs ss [o'']))) + rs + + let pin_strand_reactions = Lib.collect build_s (Origami.pinning_reactions_s opts o) in + let pin_gate_reactions = Lib.collect build_g (Origami.pinning_reactions_g opts o) in + pin_strand_reactions@pin_gate_reactions + +(** Compute all possible leak pin migration reactions inside an origami. *) +let origami_pin_migration sub_map (opts:options) (o:origami) = + if Options.getPinLeaks opts then + let build (hp,g,ns,g',o') = + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [standard_form opts (OrigamiReact(o,Remote(hp,Migrate(g,ns,g')),o'))] + | Options.Default + | Options.Infinite -> + let o'' = Origami.standard_form opts o' in + match (Origami.fast_reactions sub_map opts o'') with + | [] -> [standard_form opts (OrigamiReact(o,Remote(hp,Migrate(g,ns,g')),o''))] + | rs -> List.map + (fun (gs,ss,o'') -> + if List.isEmpty gs && List.isEmpty ss then + standard_form opts (OrigamiReact(o,Remote(hp,Migrate(g,ns,g')),o'')) + else + standard_form opts (OrigamiExpel(o,Remote(hp,Migrate(g,ns,g')),Species.collate gs ss [o'']))) + rs + + Lib.collect build (Origami.close_migration_reactions opts o) + else + [] + +(** Compute all possible leak pin displacing reactions inside an origami. *) +let origami_pin_displacing sub_map (opts:options) (o:origami) = + if Options.getPinLeaks opts then + let build (hp,g,ds,gs,ss,o') = + let react (fgs, fss, o'') = + if List.isEmpty gs && List.isEmpty ss && List.isEmpty fgs && List.isEmpty fss then + standard_form opts (OrigamiReact(o,(Remote(hp,Displace (g, ds, (List.map Species.STRAND ss)@(List.map Species.GATE gs)))),o'')) + else + standard_form opts (OrigamiExpel( o,(Remote(hp,Displace (g, ds, (List.map Species.STRAND ss)@(List.map Species.GATE gs)))) + , Species.collate (fgs@gs) (fss@ss) [o''])) + + match (Options.getRules opts) with + | Options.Detailed + | Options.Finite -> + [react ([],[],o')] + | Options.Default + | Options.Infinite -> + let o'' = Origami.standard_form opts o' + match (Origami.fast_reactions sub_map opts o'') with + | [] -> [react ([],[],o'')] + | rs -> List.map react rs + + Lib.collect build (Origami.close_displacing_reactions opts o) + else [] + +(** Compute all possible leak pin open reactions inside an origami. *) +let origami_pin_open (opts:options) (o:origami) = + if Options.getPinLeaks opts then + List.map (fun (hp,g,ns,g',o') -> standard_form opts (OrigamiReact(o,Remote(hp,MigrateOpen(g,ns,g')),o'))) (Origami.close_open_reactions opts o) + else [] + +(** Compute all possible tau reactions from new gates in an origami. *) +let origami_tau_reactions sub_map (opts:options) (o:origami) = + let gs, _ = Origami.origami_species o in + let sem = Options.getRules opts in + match sem with + | Options.Finite -> + Lib.collect (fun g -> + List.map (fun (gs',ss',o') -> + if List.isEmpty gs' && List.isEmpty ss' + then standard_form opts (OrigamiReact(o,Tau(g,[]),o')) + else standard_form opts (OrigamiExpel(o,Tau(g,[]),Species.collate gs' ss' [o']))) + (Origami.fast_reactions sub_map opts o)) gs + | Options.Default | Options.Infinite | Options.Detailed -> [] + +(** Compute all possible displacement reactions from new gates in an origami, that don't expel. *) +let origami_displacement_reactions (opts:options) (o:origami) (gs:gate list) = + let sem = Options.getRules opts in + match sem with + | Options.Detailed -> + Lib.collect (fun g -> + List.map (fun (g,ns,gs',ss',o') -> standard_form opts (OrigamiReact(o,Displace(g,ns,(Species.collate gs' ss' [])),o'))) + (Origami.displacement_reactions opts g o)) gs + | Options.Default | Options.Infinite | Options.Finite -> [] + +(** Compute all possible displacement reactions from new gates in an origami, that do expel. *) +let origami_displacement_reactions_expel (opts:options) (o:origami) (gs:gate list) = + let sem = Options.getRules opts in + match sem with + | Options.Detailed -> + Lib.collect (fun g -> + List.map (fun (g,ns,gs',ss',o',egs,ess) -> + standard_form opts (OrigamiExpel(o,Displace(g,ns,(Species.collate gs' ss' [])), + [Species.ORIGAMI o']@(List.map Species.GATE egs)@(List.map Species.STRAND ess)))) + (Origami.displacement_reactions_expel opts g o)) gs + | Options.Default | Options.Infinite | Options.Finite -> [] + +(** Compute all possible migration reactions on new gates in an origami. *) +let origami_migration_reactions (opts:options) (o:origami)(gs:gate list) = + let sem = Options.getRules opts in + match sem with + | Options.Detailed -> Lib.collect (fun g -> + List.map (fun (g,ns,g',o') -> standard_form opts (OrigamiReact(o,Migrate(g,ns,g'),o'))) + (Origami.migration_reactions opts g o)) + gs + | Options.Default | Options.Infinite | Options.Finite -> [] + +(** Compute all possible migration open reactions on new gates in an origami. *) +let origami_migration_open_reactions (opts:options) (o:origami) (gs:gate list) = + match Options.getRules opts with + | Options.Detailed -> Lib.collect (fun g -> + List.map (fun (g,ns,g',o') -> standard_form opts (OrigamiReact(o,MigrateOpen(g,ns,g'),o'))) + (Origami.open_migration_reactions opts g o)) + gs + | Options.Default | Options.Infinite | Options.Finite -> [] + +(** Compute all possible cover reactions on new gates in an origami. *) +let origami_cover_reactions (opts:options) (o:origami) (gs:gate list) = + let sem = Options.getRules opts in + match sem with + | Options.Detailed -> Lib.collect (fun g-> + List.map (fun (g,n,g',o') -> standard_form opts (OrigamiReact(o,Cover(g,n,g'),o'))) + (Origami.cover_reactions opts g o)) + gs + | Options.Default | Options.Infinite | Options.Finite -> [] + +(** Enzymatic reactions *******************************************************) +(* + These typically does not depend on the existing set of species, as the new species is reacting with enzymes instead. + But it then depends on the list of enzymes; should we represent enzymes as species rather than presence? +*) + +(* f gives list of possible replacements for an element, all one-element replacements are then calculated *) +let rec replace f = function + | [] -> [] + | [x] -> List.map (fun y -> [y]) (f x) + | x::xs -> + let rxs = replace f xs in + let later = List.map (fun l -> x::l) rxs in + let now = List.map (fun r -> r::xs) (f x) in + now @ later + +let find_nicks (x, y) (s: domain list) = + let rec inner acc processed = function + | [] -> acc + | [_] -> acc + | a::b::t -> + let top_nicks = + if (a = x && b = y) then (* nick top strand *) + [List.rev (a::processed), b::t, true] + else [] + let bottom_nicks = + if (Domain.are_complements a y && Domain.are_complements b x) then (* nick bottom strand *) + [List.rev (a::processed), b::t, true] + else [] + inner (top_nicks @ bottom_nicks @ acc) (a::processed) (b::t) in + inner [] [] s + +let nick_gate (x, y) g = + let rec outer acc outer_processed inner_processed = function + | [] -> acc + | []::os -> outer acc (inner_processed::outer_processed) [] os + | (Segment.Double (a,b,s,c,d)::is)::os -> + let nicks = find_nicks (x, y) s in + let apply_nick (before, after, top) = + if top then (* top is nicked so need to join at the bottom strand, ie at the inner list *) + List.rev outer_processed + @ [ List.rev inner_processed + @ Segment.Double (a,b,before,[],[]) + :: Segment.Double ([],[],after,c,d) + :: is ] + @ os + else (* bottom is nicked so need to join at the bottom strand, ie at the outer list *) + (List.rev ((Segment.Double (a,b,before,[],[]) :: List.rev inner_processed) :: outer_processed)) + @ ((Segment.Double ([],[],after,c,d) :: is) :: os) in + outer ((List.map apply_nick nicks) @ acc) outer_processed (Segment.Double (a,b,s,c,d) :: inner_processed) (is::os) + | (i::is)::os -> outer acc outer_processed (i::inner_processed) (is::os) in + outer [] [] [] g + +let nick_reactions (g:gate) (e:enzyme) = + match e with + | Nicking (x, y) -> + let new_gates = nick_gate (x, y) g in + List.map (fun rg -> Nick (Species.GATE g, e, Species.GATE rg)) new_gates + | Polymerase _ -> [] + +let rec nick_reactions_species (i:species) (e:enzyme) = + match e with + | Nicking (x, y) -> + begin + match i with + | Species.STRAND _ -> [] + | Species.GATE g -> + let new_gates = nick_gate (x, y) g in + List.map (fun rg -> Nick (Species.GATE g, e, Species.GATE rg)) new_gates +(* + | Species.COMPLEX c -> + begin + match c with + | Branch.Solo g -> nick_reactions_species (Species.GATE g) e + | _ -> [] (* TODO *) + end +*) + | Species.ORIGAMI _ -> [] (* TODO *) + | Species.UNKNOWN _ -> [] + | Species.LogicDsdProcess _ -> failwith "unexpected LogicDSD species" + end + | Polymerase _ -> [] + + +let Replication_reactions (_:species) (e:enzyme) = + match e with + | Nicking _ -> [] + | Polymerase _ -> [] + +(******************************************************************************) + +(* Add a list of reactions onto the existing list. + * This function does some filtering, to remove circular reactions and + * filter unwanted leak reactions (ones where there is an equivalent faster reaction). *) +let combine (opts:options) (rs_existing:t list) (rs_new:t list) = + let add_one (rs:t list) (r:t) = + (* Remove any circular reactions (i.e. where reactants and products are the same. *) + if (is_circular opts r) then rs else + (* Fast leak reaction *) + if (is_fast_leak r) then + if List.exists (fun r' -> (not(is_leak r')) && matching_species opts r r') rs then rs + else let rs = List.filter (fun r' -> not(is_leak r' && matching_species opts r r')) rs in rs@[r] + (* Slow leak reaction *) + else if (is_slow_leak r) then + if List.exists (fun r' -> (not(is_slow_leak r')) && matching_species opts r r') rs then rs + else let rs = List.filter (fun r' -> not(is_slow_leak r' && matching_species opts r r')) rs in rs@[r] + (* Tau reaction *) + else if (is_tau r) then + if List.exists (fun r' -> is_tau r' && matching_species opts r r') rs then rs + else let rs = List.filter (fun r' -> not(is_leak r' && matching_species opts r r')) rs in rs@[r] + (* Other reaction *) + else + (*call to is_leak is questionable, as it does allow duplicate reactions which may be good but may be too permissive *) + let rs = List.filter (fun r' -> not(is_leak r' && matching_species opts r r')) rs in rs@[r] + in + Lib.fold_left add_one rs_existing rs_new + +(* Append a list of reaction lists, while filtering. *) +let combine_many (opts:options) (rss:t list list) = Lib.fold_left (combine opts) [] rss + +(******************************************************************************) + +(* "Fix" a reaction by replacing any rotated species with their original versions. *) +let rec fix (opts:options) (existing_gs:gate list) (existing_ss:strand list) (existing_os:origami list) (r:t) = + let existing_gs, existing_ss = + Lib.fold_left + (fun (acc_gates, acc_strands) o -> + let gs, ss = Origami.origami_species o in + gs@acc_gates, ss@acc_strands) + (existing_gs, existing_ss) + existing_os in + let fix_gate (g:gate) = + let g_rot = Gate.rotate opts g in + if (List.contains g_rot existing_gs) then g_rot else g + in + let fix_strand (s:strand) = (* RLP: This should now be unnecessary, since normalize chooses a rotation *) + let s_rot = Strand.rotate s in + if (List.contains s_rot existing_ss) then s_rot else s + in + let fix_origami (o:origami) = + Origami.origami_map fix_strand fix_gate o |> List.sort in + (* + let o_rot = Origami.rotate opts o in + if (List.contains o_rot existing_os) then o_rot else o in + *) + let fix_species (i:species) = + match i with + | Species.STRAND s -> Species.STRAND (fix_strand s) + //| Species.COMPLEX c -> Species.COMPLEX c (* Need to fix relative to rotation notions *) + | Species.GATE g -> Species.GATE (fix_gate g) + | Species.ORIGAMI o -> Species.ORIGAMI (fix_origami o) + | Species.UNKNOWN s -> Species.UNKNOWN s + | Species.LogicDsdProcess _ -> failwith "unexpected LogicDSD species" + in + let fix_species_list (is:species list) = List.map fix_species is in + match r with + | Unbind(g,n,is) -> Unbind((fix_gate g),n,(fix_species_list is)) + | Bind(i1,i2,n,is) -> Bind((fix_species i1),(fix_species i2),n,(fix_species_list is)) + | Leak(i1,i2,fast,is) -> Leak((fix_species i1),(fix_species i2),fast,(fix_species_list is)) + | Tau(g,is) -> Tau((fix_gate g),(fix_species_list is)) + | Migrate(g,ns,g') -> Migrate((fix_gate g),ns,(fix_gate g')) + | Displace(g,ns,is) -> Displace((fix_gate g),ns,(fix_species_list is)) + | Cover(g,ns,g') -> Cover((fix_gate g),ns,(fix_gate g')) + | MigrateOpen(g,ns,g') -> MigrateOpen((fix_gate g),ns,(fix_gate g')) + | UnbindOpen(g,ns,is) -> UnbindOpen((fix_gate g), ns,(fix_species_list is)) + | Pin(i,n,is) -> Pin((fix_species i), n, (fix_species_list is)) + | OrigamiReact(o,r,o') -> OrigamiReact((fix_origami o),fix opts existing_gs existing_ss existing_os r, (fix_origami o')) + | OrigamiEntry(o,s,r,o')-> OrigamiEntry((fix_origami o),(fix_species s),fix opts existing_gs existing_ss existing_os r,fix_origami o') + | OrigamiExpel(o,r,is) -> OrigamiExpel((fix_origami o),fix opts existing_gs existing_ss existing_os r, (fix_species_list is)) + | OrigamiExchange(o,s,r,is) -> OrigamiExchange((fix_origami o),(fix_species s),fix opts existing_gs existing_ss existing_os r, (fix_species_list is)) + | Remote(ds,r) -> Remote(ds, fix opts existing_gs existing_ss existing_os r) + | Nick (i,e,i') -> Nick (fix_species i, e, fix_species i') + | Replication (i, e, n1, n2, is) -> Replication (fix_species i, e, n1, n2, fix_species_list is) + | Chemical r -> Chemical (map_mass_action_reaction fix_species r) + +let fix_reactions (opts:options) (existing_gs:gate list) (existing_ss:strand list) (existing_os:origami list) existing_rs (rs:t list) = + let fix_fold (fixed_acc, known_gs, known_ss, known_os) r = + let fixed_r = fix opts known_gs known_ss known_os r in + let new_gs, new_ss, new_os = species fixed_r |> Species.separate in + (fixed_r::fixed_acc, new_gs@known_gs, new_ss@known_ss, new_os@known_os) in + + let known = Lib.collect (fun (r: sreaction) -> Mset.elements r.products) existing_rs in + let known_gs, known_ss, known_os = Species.separate known in + + let reactions,_,_,_ = Lib.fold_left fix_fold ([], existing_gs@known_gs, existing_ss@known_ss, existing_os@known_os) rs in + List.rev reactions + + + +let translate_rate (z:settings) (opts:options) (mapping:Sequence.mapping) (r:t) = + match rate z opts mapping r with + | Crn_ma v -> Rate.MassAction v + | Crn_func e -> Rate.Function (e) + +(* Translate a reaction into a simulator-style reaction. *) +let translate (z:settings) (opts:options) (mapping:Sequence.mapping) (r:t) = + let sr_rate = translate_rate z opts mapping r in + Reaction.create( + [], + Mset.from_list (reactants r), + None, + sr_rate, + Mset.from_list (products r) + ) + +(* Translate potentially reversible reactions into string-based reactions, for the graph viewer. *) +let translate_reversible (z:settings) (opts:options) (mapping:Sequence.mapping) (rev:(t * t option)) = + let fwd_sr_rate = translate_rate z opts mapping (fst rev) in + let bwd_sr_rate_opt = Lib.option_map2 (translate_rate z opts mapping) (snd rev) in + Reaction.create( + [], + Mset.from_list (reactants (fst rev)), + bwd_sr_rate_opt, + fwd_sr_rate, + Mset.from_list (products (fst rev)) + ) + +(*****) +(* Version of combine with two kinds of reactions *) +let combine_with_existsing (z:settings) (opts:options) (mapping:Sequence.mapping) (rs_existing:sreaction list) (rs_new:t list) = + let translate = translate z opts mapping in + let add_one (rs:sreaction list) (r:t) = + (* Remove any circular reactions (i.e. where reactants and products are the same. *) + if (is_circular opts r) then rs else + (* Fast leak reaction *) + if (is_fast_leak r) then + if List.exists (fun r' -> (not(looks_like_leak opts r')) && matching_species_rsr opts r r') rs then rs + else let rs = List.filter (fun r' -> not(looks_like_leak opts r' && matching_species_rsr opts r r')) rs in rs@[translate r] + (* Slow leak reaction *) + else if (is_slow_leak r) then + if List.exists (fun r' -> (not(looks_like_leak opts r')) && matching_species_rsr opts r r') rs then rs + else let rs = List.filter (fun r' -> not(looks_like_leak opts r' && matching_species_rsr opts r r')) rs in rs@[translate r] + (* Tau reaction *) + else if (is_tau r) then + if List.exists (fun r' -> (looks_like_leak opts r') && matching_species_rsr opts r r') rs then rs + else let rs = List.filter (fun r' -> not(looks_like_leak opts r' && matching_species_rsr opts r r')) rs in rs@[translate r] + (* Other reaction *) + else + (*call to is_leak is questionable, as it does allow duplicate reactions which may be good but may be too permissive *) + let rs = List.filter (fun r' -> not(looks_like_leak opts r' && matching_species_rsr opts r r')) rs in rs@[translate r] + in + Lib.fold_left add_one rs_existing rs_new + + +(******************************************************************************) + +(* Compute all the new reactions produced by adding an extra strand. *) +let new_strand_reactions sub_map (opts:options) (s:strand) (existing_gs:gate list) (existing_ss:strand list) (existing_os:origami list)= + let pins = pin_reactions_new_strand sub_map opts s in + let binds = bind_reactions_new_strand sub_map opts s existing_gs existing_ss in + let leaks = leak_reactions_new_strand sub_map opts s existing_gs existing_ss in + + let entries = entry_reactions_new_strand sub_map opts s existing_os in + let reactions = (combine_many opts [leaks; binds; pins; entries]) in + + let reactions_fixed = fix_reactions opts existing_gs (s::existing_ss) existing_os [] reactions in + reactions_fixed + +(* Compute all the new reactions produced by adding an extra gate. *) +let new_gate_reactions sub_map (opts:options) (g:gate) (existing_gs:gate list) (existing_ss:strand list) (existing_os:origami list) existing_rs = + let unbinds = unbind_reactions sub_map opts g in + let open_pins = unbind_open_reactions sub_map opts g in + let binds = bind_reactions_new_gate sub_map opts g existing_gs existing_ss in + let pins = pin_reactions_new_gate sub_map opts g in + let leaks = leak_reactions_new_gate sub_map opts g existing_gs existing_ss in + let taus = tau_reactions sub_map opts g in + let displacements = displacement_reactions opts g in + let migrations = migration_reactions opts g in + let open_migrations = migration_open_reactions opts g in + let pin_migrations = pin_migration_new_gate sub_map opts g in + let pin_displacing = pin_displacing_new_gate sub_map opts g in + let pin_opens = pin_open_new_gate opts g in + let covers = cover_reactions opts g in + let enzymes = [] : enzyme list in (* TODO, put in Options? *) + let nicks = List.collect (nick_reactions g) enzymes in + + let entries = entry_reactions_new_gate sub_map opts g existing_os in + let reactions = combine_many opts [unbinds; open_pins; binds; pins; leaks; taus; displacements; migrations; open_migrations; pin_migrations; pin_displacing; pin_opens; covers; entries; nicks] in + +(* let reactions = List.map (fix opts (g::existing_gs) existing_ss existing_os) reactions in *) + fix_reactions opts (g::existing_gs) existing_ss existing_os existing_rs reactions + +(* Compute all the new reactions produced by adding an extra origami. *) +let new_origami_reactions sub_map (opts:options) (o:origami) (existing_gs:gate list) (existing_ss:strand list) (existing_os:origami list) (existing_rs: sreaction list) = + let anchored_gates, anchored_strands = Origami.origami_species o in + (* + let new_gates,new_strands = origami_possible_new_gates opts existing_rs o anchored_gates, + origami_possible_new_strands opts existing_rs o anchored_strands in + *) + let reactants = existing_rs |> List.filter (looks_like_origami_reaction o) |> List.collect (fun (r:sreaction) -> Mset.elements r.reactants) in + let reactant_gates,reactant_strands,_ = Species.separate reactants in + let new_gates = Lib.difference (Gate.equal opts) anchored_gates reactant_gates in (* RLP: check case of exchange reactions *) + let new_strands = Lib.difference Strand.equal anchored_strands reactant_strands in (* RLP: check case of exchange reactions *) + + let entries = entry_reactions_new_origami sub_map opts o existing_ss existing_gs in + let unbinds = origami_unbind_reactions sub_map opts o new_gates in + let unbind_expels = origami_unbind_reactions_expel sub_map opts o new_gates in + let open_pins = origami_unbind_open_reactions sub_map opts o new_gates in + let binds = origami_bind_reactions sub_map opts o new_strands new_gates |> Lib.remove_duplicates (matching_species opts) in (* Each bind reaction will appear twice *) (* RLP: find way to avoid this *) + let pins = origami_pin_reactions sub_map opts o in +(* TODO + let leaks = () in + let tau = () in +*) + let tau = origami_tau_reactions sub_map opts o in + let displacements = origami_displacement_reactions opts o new_gates in + let displacement_expels = origami_displacement_reactions_expel opts o new_gates in + let migrations = origami_migration_reactions opts o new_gates in + let open_migrations = origami_migration_open_reactions opts o new_gates in + let pin_migrations = origami_pin_migration sub_map opts o in + let pin_displacing = origami_pin_displacing sub_map opts o in + let pin_opens = origami_pin_open opts o in + let covers = origami_cover_reactions opts o new_gates in + let reactions = combine_many opts [entries;unbinds;unbind_expels;open_pins;binds;pins;tau;displacements;displacement_expels;migrations;open_migrations;pin_migrations;pin_displacing;pin_opens;covers] in + let reactions = fix_reactions opts existing_gs existing_ss (o::existing_os) [] reactions in + reactions + + +let new_reactions sub_map (opts:options) (i:species) (existing_is:species list) existing_rs = + let existing_gs,existing_ss,existing_os = Species.separate existing_is in + let new_reactions = + match i with + | Species.GATE g -> new_gate_reactions sub_map opts g existing_gs existing_ss existing_os existing_rs + //| Species.COMPLEX c -> [] (*new_complex_reactions opts c existing_gs existing_ss existing_os*) + | Species.STRAND s -> new_strand_reactions sub_map opts s existing_gs existing_ss existing_os + | Species.ORIGAMI o -> new_origami_reactions sub_map opts o existing_gs existing_ss existing_os existing_rs + | Species.UNKNOWN _ -> [] + | Species.LogicDsdProcess _ -> failwith "unexpected LogicDSD species" + + combine opts [] new_reactions + +let new_species_env opts products species_env = + Lib.fold_right (Species.add_env opts "%") (List.map (fun s -> (s,Expression.Float 1.0,false,false,None,None)) products) species_env + +(* Compute all the new reactions produced by adding an extra species. *) +let add_new_species_reactions sub_map (settings:settings) (opts:options) (mapping:Sequence.mapping) (i:species) (existing_is:species list) (existing_is_env:species_env) (existing_rs:sreaction list) (rxn_rs:sreaction list) = + let rxn_override (r: sreaction) = + let is_r (rxn: sreaction) = + (Mset.is_perm (Species.equal opts) rxn.reactants r.reactants) && + (Mset.is_perm (Species.equal opts) rxn.products r.products) in + match rxn_rs |> List.tryFind is_r with + | None -> Some r + | Some rxn -> + if existing_rs |> List.exists is_r then None // do not add the reaction again + else Some rxn + in + let new_reactions = new_reactions sub_map opts i existing_is existing_rs in + let added_reactions = + new_reactions + |> Lib.rev_map (translate settings opts mapping) + |> List.choose rxn_override in + let reactions = added_reactions @ existing_rs in + let products = Lib.collect products new_reactions in + (reactions, products, new_species_env opts products existing_is_env) + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/dsdreaction.fsi b/ClassicDSD/ClassicDSDDotNet/dsdreaction.fsi new file mode 100644 index 0000000..675d68c --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/dsdreaction.fsi @@ -0,0 +1,43 @@ +module Microsoft.Research.DNA.Dsdreaction +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type value = Expression.t +type species = Microsoft.Research.DNA.Species.t +type options = Options.t +type species_env = Species.t_env +type sreaction = Reaction>> +type settings = Crn_settings>> +type 'species crn_rate when 'species:equality = + | Crn_ma of value + | Crn_func of Expression.t> + +type 'species mass_action_reaction when 'species:equality = + { ma_reactants: 'species Mset.t + ; ma_products: 'species Mset.t + ; ma_catalysts: 'species Mset.t + ; ma_rate: 'species crn_rate + ; ma_reverseRate: 'species crn_rate option } + +val map_mass_action_reaction : ('a -> 'b) -> 'a mass_action_reaction -> 'b mass_action_reaction + +type t +val reactants : t -> species list +val products : t -> species list +val species : t -> species list +val rate : settings -> options -> Sequence.mapping -> t -> species crn_rate +val is_leak : t -> bool +val is_fast_leak : t -> bool +val is_slow_leak : t -> bool +val is_tau : t -> bool +val looks_like_leak : options -> sreaction -> bool +val reversibles : options -> t list -> (t * t option) list +val display_reversibles : settings -> options -> (sreaction * sreaction option) list -> string +val to_dot_reversibles : settings -> options -> (sreaction * sreaction option) list -> string +val translate : settings -> options -> Sequence.mapping -> t -> sreaction +val translate_reversible : settings -> options -> Sequence.mapping -> (t * t option) -> sreaction + +val add_new_species_reactions: Domain.sub_map -> settings -> options -> Sequence.mapping -> species -> species list -> species_env -> sreaction list -> sreaction list -> sreaction list * species list * species_env +val new_reactions: Domain.sub_map -> options -> species -> species list -> sreaction list -> t list +val new_species_env: options -> species list -> species_env -> species_env +(******************************************************************************) diff --git a/ClassicDSD/ClassicDSDDotNet/errors.fs b/ClassicDSD/ClassicDSDDotNet/errors.fs new file mode 100644 index 0000000..81df197 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/errors.fs @@ -0,0 +1,103 @@ +[] +module Microsoft.Research.DNA.Errors +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +(* Types for the different kinds of type error we might report. *) +type typeErrorKind = + | UnboundVariable of string + | WrongType of Types.t * (Types.t list) * string + | ModuleArgs of string * int * int + | TupleArgs of string * int * int + | ToeInconsistent of Types.range * bool + | UnTetheredInOrigami of string + | TetheredOutside of string + | RepeatedSpec of string * string + | NoSeq of string + | UnknownSpec of string * string + | UnknownModule of string * string + +let string_of_typeErrorKind = function + UnboundVariable n -> "unbound variable " + n + | WrongType(t,ts,s) -> + "found " + (Types.type_to_string t) + " but expected " + + (Types.types_to_string ts) + "\n(" + s + ")" + | ModuleArgs(x,i,j) -> + "module " + x + " applied to " + (string i) + + " arguments, expected " + (string j) + | ToeInconsistent(r,b) -> + "domain is inconsistently used as a " + (if b then " toe hold " else " normal strand ") + + " but at " + (Types.format_range (Types.rangeBegin(r)) (Types.rangeEnd(r))) + " was used as the other" + | UnTetheredInOrigami(s) -> + "species " + s + " within origami should contain one tethered domain" + | TetheredOutside(s) -> "tethered domain " + s + " should not be found outside of an origami" + | TupleArgs(x,i,j) -> + "module " + x + " applied to a tuple value of length " + + (string i) + ", with a pattern expecting " + (string j) + " values" + | RepeatedSpec(x,s) -> + "declaration " + x + " contains more than one " + s + " specification" + | NoSeq(x) -> "new " + x + " contains an unexpected seq specification" + | UnknownSpec(x,s) -> "declaration " + x + " contains an unknown specification " + s + | UnknownModule (s, vs) -> "undefined module " + s + vs + +(* Types for ALL the different kinds of error we might report. *) +type errorKind = SyntaxError of string | CommentError | CharError | TypeError of typeErrorKind + | DNAIllegalCharError of char | DNADuplicateError of string + | DNALongToeholdError of string | DNAShortSpecificityError of string + | LeakRatesError of float * float | DomainLengthsError of int * int + | InteractingNonToeholdError of string * string + | IllegalPolymerisationError of string * string + | SecondaryStructureError of string * string + | NeighbouringToeholdsError of string * string * string + +(* Produce error messages. *) +let string_of_errorKind = function + SyntaxError m -> "Syntax error: " + m + | CommentError -> "Comment not terminated" + | CharError -> "Illegal character" + | TypeError k -> "Type error: " + (string_of_typeErrorKind k) + | DNAIllegalCharError c -> "Illegal character \'" + (Lib.string_of_char c) + "\' in DNA sequence" + | DNADuplicateError s -> "Duplicate DNA sequence " + s + | DNALongToeholdError s -> "Toehold sequence " + s + " is longer than 9 nucleotides" + | DNAShortSpecificityError s -> "Specificity sequence " + s + " is shorter than 10 nucleotides" + | LeakRatesError (l,w) -> "Leak rate w " + Lib.paren(Lib.display_float w) + " must be smaller than l " + Lib.paren(Lib.display_float l) + | DomainLengthsError (th,sp) -> + "Default toehold domain length " + Lib.paren(string th) + + " must be shorter than default specificity domain lenghth " + Lib.paren(string sp) + | InteractingNonToeholdError(s1,s2) -> "Non-toehold domains " + s1 + " and " + s2 + " are both exposed and could interact" + | IllegalPolymerisationError(s1,s2) -> "Species " + s1 + " and " + s2 + " could interact to produce a polymer" + | SecondaryStructureError (s1,s2) -> "Species " + s1 + " and " + s2 + " could interact to produce non-transient secondary structure" + | NeighbouringToeholdsError (s,t1,t2) -> "Species " + s + " contains neightbouring exposed toeholds " + t1 + " and " + t2 + + +let makeMessage (r:Types.range) (k:errorKind) = + let basestring = (string_of_errorKind k) + "." + match r with + | Some r_ -> (r_ ||> Types.format_range) + ": " + basestring + | _ -> basestring + +type DSDException (r:Types.range, k:errorKind) = + inherit Parser.Exception(makeMessage r k,match r with None -> [||] | Some ((r,c),_) -> [|{row = r;column=c;text=string_of_errorKind k}|]) + member x.BeginPos = match r with None -> None | _ -> Some(Types.rangeBegin r) + member x.EndPos = match r with None -> None | _ -> Some(Types.rangeEnd r) + +(* Raise errors. *) +let type_error r k = + match k with + | WrongType (_, expecteds, _) -> if expecteds.IsEmpty + then raise(new DSDException(r, TypeError k)) + else raise(new DSDException(Types.getBeginPos expecteds.Head, TypeError k)) + | _ -> raise(new DSDException(r, TypeError k)) +let char_error p p' = raise(new DSDException(Some(p,p'),CharError)) +let comment_error p p' = raise(new DSDException(Some(p,p'),CommentError)) +let syntax_error p p' m = raise(new DSDException(Some(p,p'),SyntaxError m)) +let dna_char_error c = raise(new DSDException(None, DNAIllegalCharError c)) +let dna_dup_error s = raise(new DSDException(None, DNADuplicateError s)) +let dna_toe_error s = raise(new DSDException(None, DNALongToeholdError s)) +let dna_spec_error s = raise(new DSDException(None, DNAShortSpecificityError s)) +let leak_rates_error l w = raise(new DSDException(None, LeakRatesError(l,w))) +let domain_lengths_error th sp = raise(new DSDException(None, DomainLengthsError(th,sp))) +let interacting_nontoehold_error d d' = raise(new DSDException(None, InteractingNonToeholdError(d,d'))) +let illegal_polymerisation_error m m' = raise(new DSDException(None, IllegalPolymerisationError(m,m'))) +let secondary_structure_error m m' = raise(new DSDException(None, SecondaryStructureError(m,m'))) +let neighbouring_toeholds_error m t1 t2 = raise(new DSDException(None, NeighbouringToeholdsError(m,t1,t2))) diff --git a/ClassicDSD/ClassicDSDDotNet/errors.fsi b/ClassicDSD/ClassicDSDDotNet/errors.fsi new file mode 100644 index 0000000..35a18b4 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/errors.fsi @@ -0,0 +1,39 @@ +module Microsoft.Research.DNA.Errors +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type typeErrorKind = + | UnboundVariable of string + | WrongType of Types.t * (Types.t list) * string + | ModuleArgs of string * int * int + | TupleArgs of string * int * int + | ToeInconsistent of Types.range * bool + | UnTetheredInOrigami of string + | TetheredOutside of string + | RepeatedSpec of string * string + | NoSeq of string + | UnknownSpec of string * string + | UnknownModule of string * string + +type DSDException = + class + inherit Parser.Exception + member BeginPos : Types.pos option + member EndPos : Types.pos option + end + +(* Raise errors. *) +val type_error : Types.range -> typeErrorKind -> 'a +val char_error : Types.pos -> Types.pos -> 'a +val comment_error : Types.pos -> Types.pos -> 'a +val syntax_error : Types.pos -> Types.pos -> string -> 'a +val dna_char_error : char -> 'a +val dna_dup_error : string -> 'a +val dna_toe_error : string -> 'a +val dna_spec_error : string -> 'a +val leak_rates_error : float -> float -> 'a +val domain_lengths_error : int -> int -> 'a +val interacting_nontoehold_error : string -> string -> 'a +val illegal_polymerisation_error : string -> string -> 'a +(*val secondary_structure_error : string -> string -> 'a*) +val neighbouring_toeholds_error : string -> string -> string -> 'a diff --git a/ClassicDSD/ClassicDSDDotNet/gate.fs b/ClassicDSD/ClassicDSDDotNet/gate.fs new file mode 100644 index 0000000..da8b460 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/gate.fs @@ -0,0 +1,1050 @@ +[] +module Microsoft.Research.DNA.Gate +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +(* Multiple segments can be concatenated to form a gate *)(* Multiple segments can be concatenated to form a gate *) +type value = Value.t +type value_env = Value.t_env +type domain = Domain.t +type strand = Strand.t +type options = Options.t +type semantics = Options.semantics + +(* We represent gates as lists of lists of segments. + * The inner lists represent segments joined along a continuous lower strand, so "inner" cons corresponds to lower cons. + * The outer list represent lower-stranded segments joined along an upper strand, so "outer" cons is upper cons. *) +type t = Segment.t list list + +(* Candidate to replace above representation, to make connections more explicit *) +type connects = Uppers | Lowers +type t_complex = Segment of Segment.t + (* first t_complex should be segment not t_complex *) + | Sequence of connects * t_complex * t_complex + +let first_segment (ct:t) :Segment.t = List.head (List.head ct) +let last_segment (ct:t) :Segment.t = List.last (List.last ct) + +let rec first_segment_cp (ct:t_complex) :Segment.t = + match ct with + | Segment(s) -> s + | Sequence(_,s,_) -> first_segment_cp s +let rec last_segment_cp (ct:t_complex) :Segment.t = + match ct with + | Segment(s) -> s + | Sequence(_,_,s) -> last_segment_cp s + +let replace_first (ct:t) (s:Segment.t) : t = (s::(List.tail (List.head ct)))::(List.tail ct) +let replace_last (ct:t) (s:Segment.t) : t = List.rev (replace_first (List.rev ct) s) + +let rec replace_first_cp (ct:t_complex) (s:Segment.t) : t_complex = + match ct with + | Segment(_) -> Segment(s) + | Sequence(c,f,l) -> Sequence(c,replace_first_cp f s,l) +let rec replace_last_cp (ct:t_complex) (s:Segment.t) : t_complex = + match ct with + | Segment(_) -> Segment(s) + | Sequence(c,f,l) -> Sequence(c,f,replace_first_cp l s) + +(* Mirror a gate between top and bottom. *) +let rec mirror (gs:t) : t = + match gs with + | [] -> [] + | (cs::gs) -> Lib.glue (Lib.separate (List.map Segment.mirror cs)) (mirror gs) + +(* reverse <1 2>[3 4]<5 6> : <7 8>[9 10]<11 12> = <12 11>[10 9]<8 7> : <6 5>[4 3]<2 1> *) +let reverse (gs:t) : t = List.map (fun cs -> List.map Segment.reverse (List.rev cs)) (List.rev gs) + +(* "Normalise" a pair of segments by moving shared overhangs to the leftward segment. *) +let normalise_pair ((cl:Segment.t),(cr:Segment.t)) = + match cl,cr with + | Segment.Double(lb1,lt1,s1,rt1,rb1),Segment.Double(lb2,lt2,s2,rt2,rb2) -> + Segment.Double(lb1,lt1,s1,rt1,(rb1@lb2)),Segment.Double([],lt2,s2,rt2,rb2) + | Segment.Double(lb1,lt1,s1,rt1,rb1),Segment.Hairpin(lb2,lt2,s2,hp,Segment.Right) -> + Segment.Double(lb1,lt1,s1,rt1,(rb1@lb2)),Segment.Hairpin([],lt2,s2,hp,Segment.Right) + | Segment.Hairpin(rb1,rt1,s1,hp,Segment.Left),Segment.Double(lb2,lt2,s2,rt2,rb2) -> + Segment.Hairpin(rb1@lb2,rt1,s1,hp,Segment.Left),Segment.Double([],lt2,s2,rt2,rb2) + | Segment.Hairpin(rb1,rt1,s1,hp1,Segment.Left),Segment.Hairpin(lb2,lt2,s2,hp2,Segment.Right) -> + Segment.Hairpin(rb1@lb2,rt1,s1,hp1,Segment.Left),Segment.Hairpin([],lt2,s2,hp2,Segment.Right) + | a,b -> failwith ("Illegally constructed pair of segments " + Segment.display(a) + " and " + Segment.display(b)) + +let rec sets_check compare lls1 lls2 = + match lls1,lls2 with + | [],[] -> 0 + | l1::lls1,l2::lls2 -> + let t_ans = compare l1 l2 in + if t_ans = 0 then + sets_check compare lls1 lls2 + else + t_ans + | _ -> failwith "Gate.sets_check given unequal lists" + +(*"lexically" compare two gates *) +let compare (g1:t) (g2:t) = + let g1_length, g2_length = List.length g1, List.length g2 in + if g1_length < g2_length then + -1 + elif g1_length > g2_length then + 1 + else + let ig1, ig2 = (List.map List.length g1), (List.map List.length g2) in + let id = compare ig1 ig2 in + if id <> 0 then + id + else + sets_check (sets_check Segment.compare) g1 g2 + +let orient (g:t) : t = + let rg = reverse (mirror g) in + if g < rg then g else rg + +(* "Normalise" how gates are represented by moving shared overhangs to the leftward segment. *) +let normalise (g:t) : t = + (* Sort out shared bottom overhangs. *) + let g = List.map (Lib.map_pairs normalise_pair) g in + (* Use the same code to sort out shared top overhangs. *) + (*orient*) (mirror (List.map (Lib.map_pairs normalise_pair) (mirror g))) + +(* "Normalise" a complex by moving shared overhangs to the leftward segment, and moving segments leftward *) +let rec normalise_complex (c:t_complex) : t_complex = + match c with + | Segment(s) -> Segment(s) (* A lone segment is always normalised *) + | Sequence(Lowers, Segment(s1),Segment(s2)) -> + let ns1,ns2= normalise_pair (s1,s2) in Sequence(Lowers, Segment(ns1), Segment(ns2)) + | Sequence(Uppers, Segment(s1), Segment(s2)) -> + let ns1,ns2 = normalise_pair ((Segment.mirror s1),(Segment.mirror s2)) in + Sequence(Uppers, Segment(Segment.mirror ns1), Segment(Segment.mirror ns2)) (*use mirror to normalise, then put segment back*) + | Sequence(Lowers, Segment(s1),Sequence(c,Segment(s2),comp)) -> + let ns1,ns2= normalise_pair (s1,s2) in + Sequence(Lowers, Segment(ns1), normalise_complex(Sequence(c,Segment(ns2),comp))) + | Sequence(Uppers, Segment(s1), Sequence(c,Segment(s2),comp)) -> + let ns1,ns2 = normalise_pair ((Segment.mirror s1),(Segment.mirror s2)) in + Sequence(Uppers, Segment(Segment.mirror ns1), normalise_complex(Sequence(c,Segment(Segment.mirror ns2),comp))) + | Sequence(c, Segment s, comp) -> + normalise_complex (Sequence (c, Segment s, normalise_complex comp)) + | Sequence(c,Sequence(c2,comp1,comp2),comp3) -> + normalise_complex (Sequence(c2,comp1,(normalise_complex (Sequence(c,comp2,comp3))))) + +(* "Unnormalise" a pair of segments by moving shared overhangs to the rightward segment. *) +let unnormalise_pair ((cl:Segment.t),(cr:Segment.t)) = + match cl,cr with + | Segment.Double(lb1,lt1,s1,rt1,rb1),Segment.Double(lb2,lt2,s2,rt2,rb2) -> + Segment.Double(lb1,lt1,s1,rt1,[]),Segment.Double((rb1@lb2),lt2,s2,rt2,rb2) + | Segment.Double(lb1,lt1,s1,rt1,rb1),Segment.Hairpin(lb2,lt2,s2,hp,Segment.Right) -> + Segment.Double(lb1,lt1,s1,rt1,[]),Segment.Hairpin((rb1@lb2),lt2,s2,hp,Segment.Right) + | Segment.Hairpin(rb1,rt1,s1,hp,Segment.Left),Segment.Double(lb2,lt2,s2,rt2,rb2) -> + Segment.Hairpin([],rt1,s1,hp,Segment.Left),Segment.Double((rb1@lb2),lt2,s2,rt2,rb2) + | Segment.Hairpin(rb1,rt1,s1,hp1,Segment.Left),Segment.Hairpin(lb2,lt2,s2,hp2,Segment.Right) -> + Segment.Hairpin([],rt1,s1,hp1,Segment.Left),Segment.Hairpin((rb1@lb2),lt2,s2,hp2,Segment.Right) + | _,_ -> failwith "Illegally constructed pair of segments" + +(* "Unnormalise" a gate by moving shared overhangs to the rightward segment. *) +let unnormalise (g:t) : t = + (* Sort out shared bottom overhangs. *) + let g = List.map (Lib.map_pairs unnormalise_pair) g in + (* Use the same code to sort out shared top overhangs. *) + mirror(List.map (Lib.map_pairs unnormalise_pair) (mirror g)) + +(* Attach a "strand" to the right-hand end of a list of segments. *) +let append_strand_to_segments (cs:Segment.t list) (str:strand) = + let f c = + match c with + | (Segment.Double(lb,lt,s,rt,rb)) -> + (match str with + | Strand.Lower ns -> Segment.Double(lb,lt,s,rt,(rb@ns)) + | Strand.Upper ns -> Segment.Double(lb,lt,s,(rt@ns),rb)) + | Segment.Hairpin(ob,ot,s,hp,Segment.Left) -> + (match str with + | Strand.Lower ns -> Segment.Hairpin(ob@ns,ot,s,hp,Segment.Left) + | Strand.Upper ns -> Segment.Hairpin(ob,ot@ns,s,hp,Segment.Left)) + | _ -> failwith "A right hairpin must be the last element in a gate" + in + Lib.map_last f cs + +(* Attach a "strand" to the left-hand end of a list of segments. *) +let cons_strand_to_segments (str:strand) (cs:Segment.t list) = + let f c = + match c with + | Segment.Double(lb,lt,s,rt,rb) -> + (match str with + | Strand.Lower ns -> Segment.Double((ns@lb),lt,s,rt,rb) + | Strand.Upper ns -> Segment.Double(lb,(ns@lt),s,rt,rb)) + | Segment.Hairpin(ob,ot,s,hp,Segment.Right) -> + (match str with + | Strand.Lower ns -> Segment.Hairpin((ns@ob),ot,s,hp,Segment.Right) + | Strand.Upper ns -> Segment.Hairpin(ob,(ns@ot),s,hp,Segment.Right)) + | _ -> failwith "A left hairpin must be the first element in a gate" + in + Lib.map_first f cs + +(* Attach a "strand" to the right-hand end of a gate. *) +let append_strand_to_gate (g:t) (str:strand) : t = + let f cs = append_strand_to_segments cs str in + Lib.map_last f g + +(* Attach a "strand" to the left-hand end of a gate. *) +let cons_strand_to_gate (str:strand) (g:t) : t = + let f cs = cons_strand_to_segments str cs in + Lib.map_first f g + +(* Join two gates along the upper/lower strand. *) +let join (g1:t) (upper:bool) (g2:t) : t = + if upper then g1@g2 else Lib.glue g1 g2 + +(***************************************************************************************************) + +(* Produce a string representation of a gate. *) +let display (gs:t) = + let rec display_lower (cs:Segment.t list) = Lib.string_of_list Segment.display ":" cs in + Lib.string_of_list display_lower "::" gs + +(* Compute free names, all domains, or all tethered domains appearing in a gate. *) +let free_names (gs:t) = Lib.collect (Lib.collect Segment.free_names) gs +let domains (gs:t) = Lib.collect (Lib.collect Segment.domains) gs +let tethered_domains (gs:t) = Lib.collect (Lib.collect Segment.tethered_domains) gs +let get_tags g = Domain.tags_in_common_list (tethered_domains g) +let rev_fold f init (gs:t) = + let rec loop_o (m, acc_o) = function + | [] -> m, acc_o + | u::us -> + let rec loop_i (m, acc_i) = function + | [] -> m, acc_i + | l::ls -> + let m1, x = f m l in + loop_i (m1, x::acc_i) ls in + let m1, l = loop_i (m, []) u in + loop_o (m1, l::acc_o) us in + loop_o (init, []) gs + +let map f gs = + let m () c = (), f c + let skip () (c:Segment.t) = (), c + gs |> rev_fold m () |> snd |> rev_fold skip () |> snd + +let annotate_tag_sets (gs:t) = + let propagate_left_tags lt c = + let clt, crt = Segment.tag_sets c in + let seen_lt = match clt with Some _ -> clt | None -> lt in + let next_lt = match crt with Some _ -> crt | None -> seen_lt in + next_lt, Segment.set_tags c seen_lt in + let propagate_right_tags rt c = + let clt, crt = Segment.tethered_tag_sets c in + let seen_rt = match crt with Some _ -> crt | None -> rt in + let next_rt = match clt with Some _ -> clt | None -> seen_rt in + next_rt, Segment.add_tags c seen_rt in + gs |> rev_fold propagate_left_tags None |> snd |> rev_fold propagate_right_tags None |> snd + +let unannotate_tag_sets (gs:t) = + let clear_tags c = Segment.set_tags c None in + gs |> map clear_tags + +(** Evaluate the values in a gate. *) +let eval (e:value_env) (g:t) = List.map (List.map (Segment.eval e)) g + +(* Check types and deal with position information. *) +let inferType in_origami (env:Types.type_env) (g:t) = List.iter (List.iter (Segment.inferType in_origami env)) g +let getPosn (g:t) = Segment.getPosn (first_segment g) +let erasePosns (g:t) = List.map (List.map Segment.erasePosns) g +let replacePosns (mrs:Types.range Stringmap.t) (g:t) = List.map (List.map (Segment.replacePosns mrs)) g + +(* Get the list of all NON-TOEHOLD domains exposed in the gate. *) +let exposed_nontoeholds (g:t) = Lib.collect (Lib.collect Segment.exposed_nontoeholds) g + +(** Look for exposed neighbouring toeholds. *) +let neighbouring_toeholds (g:t) = Lib.lookForSome (Lib.lookForSome Segment.neighbouring_toeholds) g + +(***************************************************************************************************) + +(** Migrate all branches as far as possible towards the right. Remember: each moves by less than one segment. *) +let migrate_right_all (gs:t) = + let rec top_migrations gs = + let gs' = Lib.map_pairs Segment.migrate_right_simple gs in + if (gs=gs') then gs else top_migrations gs' + in + (* First do all the top strand migrations. *) + let gs = List.map top_migrations gs in + (* Then do all the bottom strand migrations. *) + mirror(List.map top_migrations (mirror gs)) + +let migrate_right_all_complex c = c + +(** Migrate all branches as far as possible to the left. Remember: each moves by less than one segment. *) +let migrate_left_all (gs:t) = reverse (migrate_right_all (reverse gs)) + +(** Use branch migration to put molecules into a standard form. + * Also use the "normalise" function to ensure that gates are always represented consistently. *) +let standard_form (opts:options) (gs:t) = + match (Options.getRules opts) with + | Options.Detailed -> normalise gs + | Options.Finite | Options.Default | Options.Infinite -> normalise(migrate_right_all gs) + +let standard_form_complex (opts:options) (ct:t_complex) = + match (Options.getRules opts) with + | Options.Detailed -> normalise_complex ct + | Options.Finite | Options.Default | Options.Infinite -> normalise_complex (migrate_right_all_complex ct) + +(* "Physically rotate" a gate. Once it's rotated, put it back into standard form. *) +let rotate (opts:options) (s:t) = standard_form opts (reverse(mirror s)) + +(* Rotate a complex, add standard_form call *) +let rec rotate_complex (opts:options) (c:t_complex) = + standard_form_complex opts + (match c with + | Segment s1 -> (Segment (Segment.rotate s1)) + | Sequence(Uppers,c1,c2) -> Sequence(Lowers, rotate_complex opts c2, rotate_complex opts c1) + | Sequence(Lowers,c1,c2) -> Sequence(Uppers, rotate_complex opts c2, rotate_complex opts c1)) + +let rec compare_complex (c1:t_complex) (c2:t_complex) = + match c1,c2 with + | Segment s1, Segment s2 -> Segment.compare s1 s2 + | Sequence(_, cf1, cr1),Sequence(_,cf2, cr2) -> + let cfs = compare_complex cf1 cf2 in + if cfs <> 0 then cfs else compare_complex cr1 cr2 + | Segment _ , Sequence _ -> -1 + | Sequence _, Segment _ -> 1 + +(* Compare two gates, up to physical rotation. *) +let equal (opts:options) (g1:t) (g2:t) = ((g1 = g2) || (g1 = (rotate opts g2))) + +(* compare two complexes, without changing orientation. *) +let rec equal_complex_static (c1: t_complex) (c2:t_complex) = + match c1,c2 with + | (Segment s1, Segment s2) -> (Segment.equals s1 s2) + | (Sequence(conn1,cl1,cr1),Sequence(conn2,cl2,cr2)) -> + (conn1=conn2 && (equal_complex_static cl1 cl2) && (equal_complex_static cr1 cr2)) + | _,_ -> false + +(* compare two complexes, up to physical rotation *) +let equal_complex (opts:options) (c1:t_complex) (c2:t_complex) = + equal_complex_static c1 c2 || equal_complex_static c1 (rotate_complex opts c2) + +(* Does gate g' match the "pattern" g? *) +let matches (opts:options) (g1:t) (g2:t) = + let inner_match g1 g2 = Lib.forall2 (Lib.forall2 Segment.matches) g1 g2 in + (inner_match g1 g2) || (inner_match g1 (rotate opts g2)) + +(* Is there an extension of env such that gate g' matches the "pattern" g? *) +let matches_env (opts:options) (env: Domain.match_env) (g1:t) (g2:t) = + let inner_match_env g1 g2 = Lib.option_and2 (Lib.option_and2 Segment.matches_env) env g1 g2 in + Lib.option_or [inner_match_env g1 g2; inner_match_env g1 (rotate opts g2)] + +(* Does gate g' match the "pattern" g? *) +let matches_static (g1:t) (g2:t) = Lib.forall2 (Lib.forall2 Segment.matches) g1 g2 + +let has_wildcard (g: t) = List.exists (List.exists Segment.has_wildcard) g + +(***************************************************************************************************) +(*** STICKING REACTIONS. *) + +(** Sticking reactions between a strand and a gate. Note: only the strand may rotate *) +let stick_strand_to_gate sub_map (unproductive:bool) (s:strand) (g:t) = + let rec gather_top (s:strand) (rs:(domain * t) list) (acc:Segment.t list) (lhs:t) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> rs + | (c::gs) -> + (* Try and stick the strand s to the selected gate at segment c, removing unproductive reactions if requested. *) + let allow cl cr stuck_to_rhs = + if unproductive then true else + (* Transfer all shared overhangs to the middle segment, temporarily. *) + let c1,cc,c2 = + if stuck_to_rhs then + match gs with + | [] -> let c1,cc = unnormalise_pair (cl,cr) in (Some c1),cc,None + | c2::_ -> let c1,cc = unnormalise_pair (cl,cr) in let cc,c2 = normalise_pair (cc,c2) in (Some c1),cc,(Some c2) + else + match Lib.get_last_element acc with + | None -> let cc,c2 = normalise_pair (cl,cr) in None,cc,(Some c2) + | Some(_,c1) -> let cc,c2 = normalise_pair (cl,cr) in let c1,cc = unnormalise_pair (c1,cc) in (Some c1),cc,(Some c2) + + (match c1 with + | None -> false + | Some c1 -> (Option.isSome (Segment.migrate_left c1 cc)) || + (Option.isSome (Segment.displace_left c1 cc)) || + (Option.isSome (Segment.migrate_open_left c1 cc))) || + (match c2 with + | None -> false + | Some c2 -> (Option.isSome (Segment.migrate_right cc c2)) || + (Option.isSome (Segment.displace_right cc c2)) || + (Option.isSome (Segment.migrate_open_right cc c2))) || + (Option.isSome (Segment.cover_left cc)) || + (Option.isSome (Segment.cover_right cc)) + in + let possible_branch stuck_to_rhs (lhs: t) (acc:Segment.t list) (gs:Segment.t list) (rhs: t) = + (List.isEmpty acc && (lhs <> []) && not stuck_to_rhs) + || (List.isEmpty gs && (rhs <> []) && stuck_to_rhs) in + let f (cl,cr,(n:Segment.domain, sup),stuck_to_rhs) = + if (sup || (allow cl cr stuck_to_rhs)) && not (possible_branch stuck_to_rhs lhs acc gs rhs) + then [n,(lhs@[acc@[cl;cr]@gs]@rhs)] else [] in + let rs' = Lib.collect f (Segment.stick_sg sub_map c s) in + gather_top s (rs@rs') (acc@[c]) lhs gs rhs + in + (* Compute all sticking reactions of strand "s" onto top strand of gate "g". *) + let top_stickings g s = + List.map + (fun (n,g') -> (g, s, n, g')) + (Lib.collect_contextual (gather_top s [] []) g) + (* Compute all sticking reactions of strand "s" onto bottom strand of gate "g". *) + let bottom_stickings g s = + List.map + (fun (n,g') -> (g, s, n, (mirror g'))) + (Lib.collect_contextual (gather_top (Strand.mirror s) [] []) (mirror g)) + (* Try normally and rotated *) + let normal = (top_stickings g s) @ (bottom_stickings g s) in + let rotated = (top_stickings g (Strand.rotate s)) @ (bottom_stickings g (Strand.rotate s)) in + normal @ rotated + +(** Sticking reactions between a strand and a list of other strands. *) +(* NB: I think that the "well-formedness" constraints will mean that the only reactions of this sort are unproductive... *) +let stick_strand_to_strand sub_map (unproductive:bool) (s1:strand) (s2:strand) = + let allow c = + if unproductive then true else + ((Option.isSome (Segment.cover_left c)) || (Option.isSome (Segment.cover_right c))) + in + let stickings s1 s2 = + let f (c,(n:Segment.domain, sup)) = if sup || allow c then [(s1,s2,n,[[c]])] else [] in + Lib.collect f (Segment.stick_ss sub_map s1 s2) + in + (* Try normally and rotated *) + let normal = stickings s1 s2 in + let rotated = stickings s1 (Strand.rotate s2) in + normal @ rotated + +(** Sticking reactions between a strand and a list of other strands. *) +(* NB: I think that the "well-formedness" constraints will mean that the only reactions of this sort are unproductive... *) +let stick_strand_to_strand_COMPLEX sub_map (unproductive:bool) (s1:strand) (s2:strand) = + let allow c = + if unproductive then true else + ((Option.isSome (Segment.cover_left c)) || (Option.isSome (Segment.cover_right c))) + in + let stickings s1 s2 = + let stick (c,(n:Segment.domain, sup)) = if sup || allow c then [(s1,s2,n,Segment(c))] else [] in + Lib.collect stick (Segment.stick_ss sub_map s1 s2) + in + (* Try normally and rotated *) + let normal = stickings s1 s2 in + let rotated = stickings s1 (Strand.rotate s2) in + normal @ rotated + +(** Sticking reactions between two gates. *) +let stick_gate_to_gate sub_map (opts:options) (g1:t) (g2:t) = + let unproductive = Options.getUnproductive opts in + let allow c1 cc c2 left_on_top = + if unproductive then true else (* Ignore unproductive polymerisations if "polymers" is disabled. *) + (if left_on_top then + (Option.isSome (Segment.migrate_left (Segment.mirror c1) (Segment.mirror cc))) || + (Option.isSome (Segment.displace_left (Segment.mirror c1) (Segment.mirror cc))) || + (Option.isSome (Segment.migrate_open_left (Segment.mirror c1) (Segment.mirror cc))) + else + (Option.isSome (Segment.displace_left c1 cc)) || + (Option.isSome (Segment.migrate_left c1 cc)) || + (Option.isSome (Segment.migrate_open_left (Segment.mirror c1) (Segment.mirror cc)))) + || + (if left_on_top then + (Option.isSome (Segment.displace_right cc c2)) || + (Option.isSome (Segment.migrate_right cc c2)) || + (Option.isSome (Segment.migrate_open_right cc c2)) + else + (Option.isSome (Segment.migrate_right (Segment.mirror cc) (Segment.mirror c2))) || + (Option.isSome (Segment.displace_right (Segment.mirror cc) (Segment.mirror c2))) || + (Option.isSome (Segment.migrate_open_right (Segment.mirror cc) (Segment.mirror c2)))) + || + (Option.isSome (Segment.cover_left cc)) || + (Option.isSome (Segment.cover_right cc)) + in + (* Find the extreme segments and see whether they can polymerise. *) + (* %%%%%%%%%%%%%%%%%%%%%% TO DO: add a check for unwanted secondary structure... + %%%%%%%%%%%%%%%%%%%%%% This may arise if two gates interact but NOT at two extreme segments... *) + let stickings (gl:t) (gr:t) = +// let debug_gl,debug_gr = display gl, display gr in + let gll,csl,cl = + match Lib.get_last_element gl with + | Some(gll,cslc) -> + (match Lib.get_last_element cslc with + | Some(csl,c) -> gll,csl,c + | None -> failwith "Gate.stick_gate_to_gate: cslc is empty") + | None -> failwith "Gate.stick_gate_to_gate: gl is empty" + in + let cr,csr,grr = + match gr with + | ccsr::grr -> + (match ccsr with + | cr::csr -> cr,csr,grr + | [] -> failwith "Gate.stick_gate_to_gate: ccsr is empty") + | [] -> failwith "Gate.stick_gate_to_gate: gr is empty" + in + Lib.collect (fun (c1,cc,c2,(n, sup),left_on_top) -> + if sup || allow c1 cc c2 left_on_top then + let g' = if left_on_top then gll@[csl@[c1]]@[cc::c2::csr]@grr + else gll@[csl@[c1;cc]]@[c2::csr]@grr + in [(gl, gr, n, g')] + else []) + (Segment.stick_gg sub_map cl cr) + in + (* RLP: Order preservation is important for origami code *) + let swapped_stickings g2 g1 = + stickings g2 g1 |> List.map (fun (g2, g1, d, cs) -> (g1, g2, d, cs)) in + (* Try normally and rotated *) + let normal = (stickings g1 g2) @ (swapped_stickings g2 g1) in + let rotated = (stickings g1 (rotate opts g2)) @ (swapped_stickings (rotate opts g2) g1) in + //let debug_gen_gates = Lib.string_of_list display " " (List.map (fun (_,_,_,g) -> g) (normal@rotated)) in + normal @ rotated + (* %%%%%%%%%%%%%%%%%%%% NB: what do we do if g1=g2 - can we discard the duplicate reaction or do we need two copies to get the kinetics right? *) + +(** Sticking reactions that cause a hairpin in a strand *) +(* NB: I think that the "well-formedness" constraints will mean that the only reactions of this sort are unproductive... *) +let pin_strand (unproductive:bool) (s1:strand) = + let allow c = + if unproductive then true else + ((Option.isSome (Segment.cover_left c)) || (Option.isSome (Segment.cover_right c))) + in + let pinings s = + let f (c,(n:Segment.domain, sup)) = if sup || allow c then [(s1,n,[[c]])] else [] in + Lib.collect f (Segment.pin_strand s) + in + pinings s1 + +(** Sticking reactions in a gate that result in a hairpin at one edge of the gate *) +(* NB: This doesn't consider the possibility of a hairpin occuring anywhere except at the leftmost or rightmost segment of a gate + because otherwise a hairpin must be allowed as the overhang of a segment *) +let pin_gate (unproductive:bool) (g:t) = + let rec gather_top (rs:(domain * t) list) (acc:Segment.t list) (lhs:t) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> rs + | (c::gs) -> + (* Try and pin a bottom overhang of the selected gate at segment c, removing unproductive reactions if requested. *) + (* Don't allow hairpins at non-extreme points, regardless of productivity *) + let allow cl cr pinned_rhs = + if ((unproductive && pinned_rhs && List.isEmpty rhs && List.isEmpty gs) || + (unproductive && (not pinned_rhs) && List.isEmpty acc && List.isEmpty lhs)) then true else + (* Transfer all shared overhangs to the middle segment, temporarily. *) + let c1,cc,c2 = + if pinned_rhs then + match gs,rhs with + | [],[] -> let c1,cc = unnormalise_pair (cl,cr) in (Some c1),Some(cc),None + | _,_ -> None,None,None (* Don't pin none-end segments *) + else + match acc,lhs with + | [],[] -> let cc,c2 = normalise_pair (cl,cr) in None,Some(cc),(Some c2) + | _,_ -> None,None,None (* Don't pin none-end segments *) + in + (match c1,cc,c2 with + | None,None,None -> false + | Some c1,Some cc,None -> (Option.isSome (Segment.migrate_left c1 cc)) || + (Option.isSome (Segment.displace_left c1 cc)) || + (Option.isSome (Segment.migrate_open_left c1 cc)) + | None, Some cc, Some c2 -> (Option.isSome (Segment.migrate_right cc c2)) || + (Option.isSome (Segment.displace_right cc c2)) || + (Option.isSome (Segment.migrate_open_right cc c2)) + | _,_,_ -> false) + in + let f (cl,cr,(n:Segment.domain,sup),pinned_rhs) = if sup || allow cl cr pinned_rhs then [n,(lhs@[acc@[cl;cr]@gs]@rhs)] else [] in + let rs' = Lib.collect f (Segment.pin_segment c) in + gather_top (rs@rs') (acc@[c]) lhs gs rhs + in + (* Compute all pinings of segment overhangs on bottom of gate "g". *) + let bottom_pinings g = List.map (fun (n,g') -> (g, n, g')) (Lib.collect_contextual (gather_top [] []) g) + in + (* Compute all pinings of segment overhangs on top of gate "g". *) + let top_pinings g = List.map (fun (n,g') -> (g, n, (mirror g'))) (Lib.collect_contextual (gather_top [] []) (mirror g)) + in + (top_pinings g) @ (bottom_pinings g) + +(***************************************************************************************************) +(*** UNSTICKING REACTIONS. *) + +(* If a strand is ejected (by unbinding, displacing or leaking) determine whether anything else is ejected too. *) +let ejected (lhs:t) (acc:Segment.t list) (s:strand) (gs:Segment.t list) (rhs:t) : ((t list) * (strand list)) = + (* Decide what the "left" and "right" sides of the ejected species should be. *) + let left,right = + match s with + | Strand.Upper _ -> ((if List.isEmpty acc then lhs else []),(if List.isEmpty gs then rhs else [])) + | Strand.Lower _ -> ((if List.isEmpty acc then [] else lhs@[acc]),(if List.isEmpty gs then [] else gs::rhs)) (* RLP: should this be [gs]::rhs ? *) + in + match left,right with + | [],[] -> ([],[s]) + | left,[] -> let g = append_strand_to_gate left s in ([g],[]) + | [],right -> let g = cons_strand_to_gate s right in ([g],[]) + | left,right -> let g = join left (Strand.is_upper s) (cons_strand_to_gate s right) in ([g],[]) + +(** Return all unsticking reactions possible from a given gate. *) +let unsticking_reactions sub_map (opts:options) (g:t) = + let rec gather (rs:(t * domain * t list * strand list) list) (acc:Segment.t list) (lhs:t) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> rs + | c::gs -> + (* Try and do an unsticking operation. *) + let try_unstick lhs acc c gs rhs = + match (Segment.unstick sub_map c) with + (* lhs :: (acc : [n^] : gs) :: rhs *) + | Some(s1,s2,n) -> + let (gs1,ss1) = ejected lhs acc s1 gs rhs in + let (gs2,ss2) = ejected lhs acc s2 gs rhs in + [g,n,(gs1@gs2),(ss1@ss2)] + | None -> [] + in + match (try_unstick lhs acc c gs rhs) with + | [] -> + (* If structural congruence includes branch migration, left migrate (if possible) and try again. *) + (match (Options.getRules opts) with + | Options.Detailed -> gather rs (acc@[c]) lhs gs rhs + | _ -> + let c',gs',rhs' = + match migrate_left_all ((c::gs)::rhs) with (* %%%% If structural congruence includes branch migration, try left migrating first. *) + | (c'::gs')::rhs' -> c',gs',rhs' + | _ -> failwith "Gate.displacement_reactions: migrate_left_all should return a non-empty list with a non-empty head" + in + match (try_unstick lhs acc c' gs' rhs') with + | [] -> gather rs (acc@[c]) lhs gs rhs + | rs' -> gather (rs@rs') (acc@[c]) lhs gs rhs) + (* Managed to do an unbinding straight away. *) + | rs' -> gather (rs@rs') (acc@[c]) lhs gs rhs + in + Lib.collect_contextual (gather [] []) g + +(***************************************************************************************************) +(*** Unbind open reactions **) + +(** Return all reactions where a hairpin opens and gloms onto the overhang of the gate, or just turns into a strand *) +let unbind_open_reactions (opts:options) (g:t) = + let tenacious = + match (Options.getRules opts) with + | Options.Detailed -> false + | _ -> true in + let migrate_top c s = + match Segment.migrate_left c s with + | Some (mc, ms, _) -> Some (mc, ms) + | None -> None in + let migrate_bottom c s = + match Segment.migrate_left (Segment.mirror c) (Segment.mirror s) with + | Some (mc, ms, _) -> Some (Segment.mirror mc, Segment.mirror ms) + | None -> None in + let tenacious_unbind_gg_lcon c s = + match Segment.unbind_open_gg_lcon c s with + | Some r -> Some r + | None -> + if tenacious then + (match migrate_top c s with (* %%%% If structural congruence includes branch migration, try left migrating first. *) + | Some (mc, ms) -> Segment.unbind_open_gg_lcon mc ms + | None -> None) + else None in + let tenacious_unbind_gg_ucon c s = + match Segment.unbind_open_gg_ucon c s with + | Some r -> Some r + | None -> + if tenacious then + (match migrate_bottom c s with (* %%%% If structural congruence includes branch migration, try left migrating first. *) + | Some (mc, ms) -> Segment.unbind_open_gg_ucon mc ms + | None -> None) + else None in + let left_opens = function + | [[c]] -> + (match Segment.unbind_open_down c with + | None -> [] + | Some (st,n) -> [g,n,[],[st]]) + | [c]::[s]::cs -> + (match tenacious_unbind_gg_ucon c s with + | None -> [] + | Some (st,n) -> [g,n,[[st]::cs],[]]) + | [c]::(s::ss)::cs -> + (match tenacious_unbind_gg_ucon c s with + | None -> [] + | Some (st,n) -> [g,n,[(st::ss)::cs],[]]) + | (c::s::ss)::cs -> + (match tenacious_unbind_gg_lcon c s with + | None -> [] + | Some (st,n) -> [g,n,[(st::ss)::cs],[]]) + | _ -> [] in + let rotate_result (g:t, n:Segment.domain, gs, sts) = (g, n, List.map (rotate opts) gs, List.map Strand.rotate sts) in + let lefts = left_opens g in + let rights = left_opens (rotate opts g) |> List.map rotate_result in + lefts@rights + +(***************************************************************************************************) +(*** LEAK REACTIONS. *) + +(** Return all leak reactions possible between a strand and a gate. *) +let leak_strand_into_gate (opts:options) (s:strand) (g:t) :(t * strand * bool * t list * strand list) list = + (* Collect all the different ways that the strand s could leak into this segment. *) + let find_leaks (s:strand) (acc:Segment.t list) (c:Segment.t) (lhs:t) (gs:Segment.t list) (rhs:t) = + let f (c',s',fast: bool) = + (* NB: from "Segment.leak_sg" we can assume that s' is an UPPER strand. *) + let gs_out,ss_out = + match ejected lhs acc s' gs rhs with + | [g_out],[] -> [[acc@[c']@gs]; g_out],[] + | [],[s_out] -> [lhs@[acc@[c']@gs]@rhs],[s_out] + | _,_ -> failwith "Gate.leak_strand_into_gate: ejection not a single gate or strand" + in + (fast,gs_out,ss_out) + in + List.map f (Segment.leak_sg c s) + in + (* Gather all the possible leak reactions. *) + let rec gather_top (s:strand) (rs:(bool * t list * strand list) list) (acc:Segment.t list) (lhs:t) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> failwith "Gate.leak_reactions: empty gate" + | [c] -> rs@(find_leaks s acc c lhs [] rhs) + | (c::c'::gs) -> + (* If structural congruence includes branch migration, try again after left migrating (if possible). + This shouldn't loop as the migration won't be possible a second time. + Also, the call to this function (in reaction.ml) should put the gate back into standard form. *) + let (c1,c1') = + (match (Options.getRules opts) with + | Options.Detailed -> (c,c') + | Options.Infinite | Options.Finite | Options.Default -> Segment.migrate_left_simple (c,c')) + in + (* Collect all the different ways that this segment could leak. *) + let rs' = find_leaks s acc c1 lhs (c1'::gs) rhs in (* Use the migrated segments here. *) + gather_top s (rs@rs') (acc@[c]) lhs (c'::gs) rhs (* Revert to the original segments for the recursive call. *) + in + (* Both upper and lower strands can leak in, and we must also account for rotation. *) + let leaks_with s = + match s with + | Strand.Upper _ -> List.map + (fun (fast,gs',ss') -> (g, s, fast, gs', ss')) + (Lib.collect_contextual (gather_top s [] []) g) + | Strand.Lower _ -> List.map (fun (fast,gs',ss') -> + (g, s, fast, (List.map mirror gs'), (List.map Strand.mirror ss'))) + (Lib.collect_contextual (gather_top (Strand.mirror s) [] []) (mirror g)) + in + let leaks = (leaks_with s) @ (leaks_with (Strand.rotate s)) in + (* Remove any leak reaction where the products are the same as the reactants. *) + List.filter (fun (g,s,_,gs',ss') -> (gs',ss') <> ([g],[s])) leaks + +(** Return all leak reactions possible between two gates. *) +(* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% *) +let leak_gate_into_gate (_:options) (_:t) (_:t) = ([]:(t * t * bool * t list * strand list) list) (* %%%%%%%%%%%%%%%%%%%%%%%%%%%% *) + +(***************************************************************************************************) + +(** Return all single displacement reactions possible from a given gate. *) +let displacement_reactions (opts:options) (g:t) = + let rec gather_top (rs:(domain list * t list * strand list) list) (acc:Segment.t list) (lhs:t) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> rs + | [_] -> rs + | (c1::c2::gs) -> + let left = + (match Segment.displace_left c1 c2 with + | Some(c,s,ns) -> + (match ejected lhs acc s [] [] with + | [g_out],[] -> [ns,[([[c]@gs]@rhs);g_out],[]] + | [],[s_out]-> [ns,[lhs@[acc@[c]@gs]@rhs],[s_out]] + | _,_ -> failwith "Gate.displacement_reactions: leftward ejection not a single gate or strand") + | None -> []) + in + let c2',gs' = + (match (Options.getRules opts) with + | Options.Detailed -> c2,gs + | Options.Infinite | Options.Finite | Options.Default -> + match migrate_left_all [c2::gs] with (* %%%% If structural congruence includes branch migration, try left migrating first. *) + | [c2'::gs'] -> c2',gs' + | _ -> failwith "Gate.displacement_reactions: migrate_left_all should return singleton list") + in + let right = + (match Segment.displace_right c1 c2' with + | Some(c,s,ns) -> + (match ejected [] [] s gs' rhs with + | [g_out],[] -> [ns,[(lhs@[acc@[c]]); g_out],[]] + | [],[s_out] -> [ns,[lhs@[acc@[c]@gs']@rhs],[s_out]] + | _,_ -> failwith "Gate.displacement_reactions: rightward ejection not a single gate or strand") + | None -> []) + in + gather_top (rs@left@right) (acc@[c1]) lhs (c2::gs) rhs + in + (* Compute all displacement reactions from top strand. *) + let top_displacements = List.map (fun (ns,gs',ss') -> (g,ns,gs',ss')) (Lib.collect_contextual (gather_top [] []) g) in + (* Compute all displacement reactions from bottom strand. *) + let bottom_displacements = + List.map + (fun (ns,gs',ss') -> (g, ns, (List.map mirror gs'), (List.map Strand.mirror ss'))) + (Lib.collect_contextual (gather_top [] []) (mirror g)) + + top_displacements @ bottom_displacements + +(***************************************************************************************************) +(** Return all hairpin opening migrations possible on a given gate. *) +let open_migration_reactions (opts:options) (g:t) = + let rec gather_top (rs:(domain list * t) list) (acc:Segment.t list) (lhs:t) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> rs + | [_] -> rs + | (c1::c2::gs) -> + let left = + (match Segment.migrate_open_left c1 c2 with + | Some(c,ns) -> [ns, (lhs@[acc@[c]@gs]@rhs)] + | None -> []) + in + let c2',gs' = + (match (Options.getRules opts) with + | Options.Detailed -> c2,gs + | Options.Infinite | Options.Finite | Options.Default -> + match migrate_left_all [c2::gs] with (* %%%% If structural congruence includes branch migration, try left migrating first. *) + | [c2'::gs'] -> c2',gs' + | _ -> failwith "Gate.open_migration_reactions: migrate_left_all should return singleton list") + in + let right = + (match Segment.migrate_open_right c1 c2' with + | Some(c,ns) -> [ns, (lhs@[acc@[c]@gs']@rhs)] + | None -> []) + in + gather_top (rs@left@right) (acc@[c1]) lhs (c2::gs) rhs + in + (* Compute all open migration reactions from top strand. *) + let top_opens = List.map (fun (ns,gs') -> (g,ns,gs')) (Lib.collect_contextual (gather_top [] []) g) in + (* Compute all open migration reactions from bottom strand. *) + let bottom_opens = List.map (fun (ns,gs') -> (g, ns, (mirror gs'))) + (Lib.collect_contextual (gather_top [] []) (mirror g)) + in + top_opens @ bottom_opens + +(***************************************************************************************************) +(** Return all hairpin closing migrations possible on a given gate. + * These are technically leak reactions, but localised ones so relatively fast. + *) +let close_migration_reactions (opts:options) (g:t) = + let close_lower_left = function + | [] -> [] + | []::_ -> [] (* Consider raising an error or recursing *) + | [c]::gs -> Segment.close_lower_left_migrate c |> List.map (fun (hpds, hp,rg,ds) -> hpds, ds, [hp;rg]::gs) + | (c1::c2::cs)::gs -> + let c, cr = normalise_pair (c1, c2) in + Segment.close_lower_left_migrate c |> List.map (fun (hpds, hp,rg,ds) -> hpds, ds, (hp::rg::cr::cs)::gs) in + + let close_front gs = + let top_closes = gs |> close_lower_left in + let bottom_closes = gs |> mirror |> close_lower_left |> List.map (fun (hpds, d,g') -> (hpds, d, mirror g')) in + top_closes @ bottom_closes in + + let front_closes = g |> close_front |> List.map (fun (hpds, d,g') -> (hpds, g,d,g')) in + let back_closes = g |> rotate opts |> close_front |> List.map (fun (hpds, d,g') -> (hpds, g,d,rotate opts g')) in + + front_closes @ back_closes + +(** Return all hairpin closing displacings possible on a given gate. + * These are technically leak reactions, but localised ones so relatively fast. + *) +let close_displacing_reactions (opts:options) (g:t) = (* do the whole context thing using ejected *) + let close_lower_left = function + | [] -> [] + | []::_ -> [] (* Consider raising an error or recursing *) + | [c]::gs -> Segment.close_lower_left_displace c + |> List.map (fun (hp, c', s, ds) -> + (match ejected [] [] s [c'] gs with + | [], ss -> hp, ds, [[c']::gs], ss + | egs, ss -> hp, ds, [[c']]::egs, ss + )) + | (c1::c2::cs)::gs -> + let c, cr = normalise_pair (c1, c2) in + Segment.close_lower_left_displace c + |> List.map (fun (hp, c', s, ds) -> + (match ejected [] [] s (c'::cr::cs) gs with + | [], ss -> hp, ds, [(c'::cr::cs)::gs], ss + | egs, ss -> hp, ds, [[c']]::egs, ss + )) in + + let close_front gs = + let top_closes = gs |> close_lower_left in + let bottom_closes = gs |> mirror |> close_lower_left |> List.map (fun (hp, ds,egs,ess) -> (hp, ds, List.map mirror egs, List.map Strand.mirror ess)) in + top_closes @ bottom_closes in + + let front_closes = g |> close_front |> List.map (fun (hp, ds,egs,ess) -> (hp, g, ds, egs, ess)) in + let back_closes = g |> rotate opts |> close_front |> List.map (fun (hp, ds,egs,ess) -> (hp, g, ds, List.map (rotate opts) egs, List.map Strand.rotate ess)) in + + front_closes @ back_closes + + + +(** Return all hairpin closing displacings opening a hairpin on the other side. + * These are technically leak reactions, but localised ones so relatively fast. + *) +let close_open_reactions (opts:options) (g:t) = + let close_lower_left = function + | [[c]] -> Segment.close_lower_left_open c |> List.map (fun (hpds, s,ds) -> hpds, [[s]],ds) + | _ -> [] in + + let close_front gs = + let top_closes = gs |> close_lower_left in + let bottom_closes = gs |> mirror |> close_lower_left |> List.map (fun (hpds, g',ds) ->hpds, mirror g', ds) in + top_closes @ bottom_closes in + + let front_closes = g |> close_front |> List.map (fun (hpds, g',ds) -> (hpds, g,ds,g')) in + let back_closes = g |> rotate opts |> close_front |> List.map (fun (hpds, g',ds) -> (hpds, g, ds, rotate opts g')) in + + front_closes @ back_closes + +(***************************************************************************************************) + +(** Return all migration reactions possible on a given gate. *) +let migration_reactions (g:t) = + let rec gather_top (rs:(domain list * t) list) (acc:Segment.t list) (lhs:t) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> rs + | [_] -> rs + | (c1::c2::gs) -> + let left = + (match (Segment.migrate_left c1 c2) with + | Some(c1',c2',ns) -> [ns,(lhs@[acc@[c1';c2']@gs]@rhs)] + | _ -> []) + in + let right = + (match (Segment.migrate_right c1 c2) with + | Some(c1',c2',ns) -> [ns,(lhs@[acc@[c1';c2']@gs]@rhs)] + | _ -> []) + in + gather_top (rs@left@right) (acc@[c1]) lhs (c2::gs) rhs + in + (* Compute all migration reactions on top strand. *) + let top_migrations = List.map (fun (ns,g') -> (g,ns,g')) (Lib.collect_contextual (gather_top [] []) g) in + (* Compute all migration reactions on bottom strand. *) + let bottom_migrations = + List.map (fun (ns,g') -> + (g, ns, mirror g')) + (Lib.collect_contextual (gather_top [] []) (mirror g)) + top_migrations @ bottom_migrations + +(***************************************************************************************************) + +(** Return all cover reactions possible on a given gate. *) +let cover_reactions (g:t) = + (* Gather intra-segment covers computed using the function passed in as first argument. *) + let rec gather (cover:Segment.t -> (Segment.t * domain) option) (rs:(domain * t) list) (acc:Segment.t list) (lhs:t) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> rs + | c::gs -> + let rs' = + match (cover c) with + | Some(c',d) -> [d,(lhs@[acc@[c']@gs]@rhs)] + | None -> [] + gather cover (rs@rs') (acc@[c]) lhs gs rhs + + (* Get all cover reactions on the gate, using unnormalisation to compute the leftward covers. *) + let leftward_covers = + List.map + (fun (n,g') -> (g, n, normalise g')) + (Lib.collect_contextual (gather Segment.cover_left [] []) (unnormalise g)) + + let rightward_covers = + List.map + (fun (n,g') -> (g, n, g')) + (Lib.collect_contextual (gather Segment.cover_right [] []) g) + + leftward_covers @ rightward_covers + +(***************************************************************************************************) + +(** Get all fast reactions on a list of gates (rate may be tau or infinity depending on semantics). *) +let fast_reactions sub_map (opts:options) (gs:t list) : (t list * strand list) list = + (* Consider the results equivalent up to reordering of the strand list. *) + let tau_match (gs1,ss1) (gs2,ss2) = (Lib.is_permutation (equal opts) gs1 gs2) && (Lib.is_permutation Strand.equal ss1 ss2) in + (* All single tau reactions possible from a gate. The strand list is to accumulate displaced strands. *) + let next_steps (g:t) = + let disp_reacts = displacement_reactions opts g in + let displacements = List.map (fun (_,_,gs',ss') -> ((List.map (standard_form opts) gs'),ss')) disp_reacts in + let opens = List.map (fun (_,_,gs') -> [((standard_form opts) gs')],[]) (open_migration_reactions opts g) in + let unsticks = + (match (Options.getRules opts) with (* Don't include unsticking reactions as fast in the "Original" merged semantics. *) + | Options.Infinite | Options.Finite -> + List.map (fun (_,_,gs',ss') -> ((List.map (standard_form opts) gs'),ss')) (unsticking_reactions sub_map opts g) + | Options.Default -> [] + | Options.Detailed -> failwith "Gate.fast_reactions shouldn't be called in single step mode") in + let unstick_opens = + (match (Options.getRules opts) with (* Similarly don't open in all semantics *) + | Options.Infinite | Options.Finite -> + List.map (fun (_,_,gs',s') -> ((List.map (standard_form opts) gs'),s')) (unbind_open_reactions opts g) + | Options.Default -> [] + | Options.Detailed -> failwith "Gate.fast_reactions shouldn't be called in single step") in + let covers = List.map (fun (_,_,g') -> ([g'],[])) (cover_reactions g) in + Lib.union tau_match unstick_opens + (Lib.union tau_match opens (Lib.union tau_match displacements (Lib.union tau_match unsticks covers))) + in + (* Search the tau reaction space to compute transitive closure of tau reactions. *) + (* + let rec search ((gs:t list),(ss:strand list)) = + let gs = List.map (standard_form opts) gs in + match (Lib.collect next_steps gs) with + | [] -> [(gs,ss)] + | xs -> let xs = List.map (fun (gs',ss') -> (gs', ss@ss')) xs in + Lib.collect_union tau_match search xs + in + *) + let rec search ((gs:t list),(ss:strand list)) = + let gs = List.map (standard_form opts) gs in + let fold (nexts, stills, progress) g = + match next_steps g with + | [] -> nexts, g::stills, progress + | xs -> xs@nexts, stills, true in + let (nexts, stills, progress) = Lib.fold_left fold ([], [], false) gs in + if progress then + let xs = List.map (fun (gs',ss') -> (stills@gs', ss@ss')) nexts in + Lib.collect_union tau_match search xs + else [(gs,ss)] + in + + let answer = search (gs,[]) in + if answer = [(gs,[])] then [] else answer (* Remove reflexive edges from otherwise empty results. *) + +(* ************************************************************************************************ *) + +(** Get all "initial" reactions on a gate. *) +let initial_reactions sub_map (opts:options) (g:t) : (t list * strand list) list = + match (Options.getRules opts) with + | Options.Infinite | Options.Default -> fast_reactions sub_map opts [g] + | _ -> [] + +(* ************************************************************************************************ *) + +(* Get the leftmost segment of a gate. *) +let leftmost_segment (g:t) = + match g with + | [] | ([]::_) -> failwith "leftmost_segment: illegal gate structure" + | ((c::_)::_) -> c + +(* Get the rightmost segment of a gate. *) +let rightmost_segment (g:t) = Segment.reverse(leftmost_segment (reverse g)) + +(* Is a gate "reactive"? *) +let is_reactive sub_map (opts:options) (g:t) = + (* Scan the syntax of the gate for available toeholds on the main backbone. *) + (* NB Need to update to check for any available toehold, since reactions will potentially occur on any open hang *) + let rec scan (very_first_segment:bool) (lhs:t) (acc:Segment.t list) (gs:Segment.t list) (rhs:t) = + match gs with + | [] -> (match rhs with [] -> false | (gs'::rhs') -> scan very_first_segment (if List.isEmpty acc then lhs else lhs@[acc]) [] gs' rhs') + | (c::gs') -> if (very_first_segment && (Domain.contains_toehold(Segment.bottom_left_overhang c) || Domain.contains_toehold(Segment.top_left_overhang c))) then true + else match gs',rhs with + | [],[] -> if Domain.contains_toehold(Segment.bottom_right_overhang c) then true else Domain.contains_toehold(Segment.top_right_overhang c) + | [],rhs -> if Domain.contains_toehold(Segment.top_right_overhang c) then true else scan false lhs (acc@[c]) [] rhs + | gs',rhs -> if Domain.contains_toehold(Segment.bottom_right_overhang c) then true else scan false lhs (acc@[c]) gs' rhs + in + (* Check whether unary reactions are possible from the gate. *) + let unary_reaction_possible (opts:options) (g:t) = + (match unsticking_reactions sub_map opts g with [] -> false | _ -> true) || + (match displacement_reactions opts g with [] -> false | _ -> true) || + (match Options.getRules opts with (* ??? Is this correct? ??? *) + | Options.Detailed -> (match migration_reactions g with [] -> false | _ -> true) + | _ -> false) || + (match cover_reactions g with [] -> false | _ -> true) + in + (scan true [] [] [] g) || (unary_reaction_possible opts g) + +let is_reactive_complex (_:options) (c:t_complex) = + let rec reactive_toe_holds = function + | Segment(s) -> Segment.is_reactive s + | Sequence(_,c,rst) -> reactive_toe_holds c || reactive_toe_holds rst + in + (*Check for unary reactions on the complex, based on the semantics *) + (* ADD THIS AFTER THE REACTION GENS ARE CONVERTED *) + let unary_reaction_check (_:t_complex) = false in + reactive_toe_holds c || unary_reaction_check c + +(* ************************************************************************************************ *) +let universal_counters (g:t) = List.map (List.map Segment.universal_counters) g + + + +(* FD Additions *) +//let getEnergy (gate : t) = +// SequenceCalc.getGateEnergy(gate) + + + + diff --git a/ClassicDSD/ClassicDSDDotNet/gate.fsi b/ClassicDSD/ClassicDSDDotNet/gate.fsi new file mode 100644 index 0000000..fc9cf1a --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/gate.fsi @@ -0,0 +1,124 @@ +module Microsoft.Research.DNA.Gate +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type value = Value.t +type value_env = Value.t_env +type domain = Domain.t +type strand = Strand.t +type options = Options.t +type semantics = Options.semantics +type t = Segment.t list list +type connects = Uppers | Lowers (* Which strands are the complex connections on *) +type t_complex = | Segment of Segment.t + | Sequence of connects * t_complex * t_complex + +val first_segment : t -> Segment.t +val replace_first : t -> Segment.t -> t +val last_segment : t -> Segment.t +val replace_last : t -> Segment.t -> t +val normalise : t -> t +val normalise_pair : Segment.t*Segment.t -> Segment.t*Segment.t +val cons_strand_to_segments : strand -> Segment.t list -> Segment.t list +val append_strand_to_segments : Segment.t list -> strand -> Segment.t list +val cons_strand_to_gate : strand -> t -> t +val append_strand_to_gate : t -> strand -> t +val join : t -> bool -> t -> t + +val display : t -> string +val free_names : t -> (Value.name * Value.range) list +val domains : t -> domain list +val tethered_domains : t -> domain list +val get_tags : t -> Domain.tag list option +val annotate_tag_sets : t -> t +val unannotate_tag_sets : t -> t + +val eval : value_env -> t -> t +val inferType : bool option -> Types.type_env -> t -> unit +val getPosn : t -> Types.range +val erasePosns : t -> t +val replacePosns : Types.range Stringmap.t -> t -> t +val compare : t -> t -> int +val equal : options -> t -> t -> bool +val matches : options -> t -> t -> bool +val matches_static : t -> t -> bool (*comparison function that does not rotate either gate*) +val matches_env : options -> Domain.match_env -> t -> t -> Domain.match_env option +val has_wildcard : t -> bool + +(** Find exposed long domains. *) +val exposed_nontoeholds : t -> domain list + +(** Look for exposed neighbouring toeholds. *) +val neighbouring_toeholds : t -> (domain * domain) option + +(** Use branch migration to put molecules into a standard form. *) +val standard_form : options -> t -> t + +(* "Physically rotate" a gate. Once it's rotated, put it back into standard form. *) +val rotate : options -> t -> t + +(* support function for rotation and standard form in branching structures *) +val migrate_right_all : t -> t + +(* Are two gates equal, up to physical rotation? *) +val equal : options -> t -> t -> bool + +(* Are two complexes equal, up to physical rotations *) +val equal_complex : options -> t_complex -> t_complex -> bool + +(** Sticking reactions. *) +val stick_strand_to_gate : Domain.sub_map -> bool -> strand -> t -> (t * strand * domain * t) list +val stick_strand_to_strand : Domain.sub_map -> bool -> strand -> strand -> (strand * strand * domain * t) list +val stick_gate_to_gate : Domain.sub_map -> options -> t -> t -> (t * t * domain * t) list + +(** Pinning reactions *) +val pin_strand : bool -> strand -> (strand * domain * t) list +val pin_gate : bool -> t -> (t * domain * t) list + +(** Return all unsticking reactions possible from a given gate. *) +val unsticking_reactions : Domain.sub_map -> options -> t -> (t * domain * t list * strand list) list + +(** Return all reactions on a given gate that open a hairpin after an unbind *) +val unbind_open_reactions: options -> t -> (t * domain * t list * strand list) list + +(** Return all leak reactions possible between lists of gates and strands. *) +val leak_strand_into_gate : options -> strand -> t -> (t * strand * bool * t list * strand list) list + +(** Return all leak reactions possible between two gates. *) +val leak_gate_into_gate : options -> t -> t -> (t * t * bool * t list * strand list) list + +(** Return all (single) displacement reactions possible from a given gate. *) +val displacement_reactions : options -> t -> (t * domain list * t list * strand list) list + +(** Return all migration (leak) reactions resulting from hairpins closing possible on a given gate. *) +val close_migration_reactions : options -> t -> (domain list * t * domain list * t) list +(** Return all displacing (leak) reactions resulting from hairpins closing possible on a given gate. *) +val close_displacing_reactions : options -> t -> (domain list * t * domain list * t list * strand list) list +(** Return all open (leak) reactions resulting from hairpins closing possible on a given gate. *) +val close_open_reactions : options -> t -> (domain list * t * domain list * t) list + +(** Return all migration reactions possible on a given gate. *) +val migration_reactions : t -> (t * domain list * t) list + +(** Return all migration reactions that open a hairpin on a given gate. *) +val open_migration_reactions : options -> t -> (t * domain list * t) list + +(** Return all cover reactions possible on a given gate. *) +val cover_reactions : t -> (t * domain * t) list + +(** Get all combined fast reactions on a list of gates (rate may be tau or infinity depending on semantics). *) +val fast_reactions : Domain.sub_map -> options -> t list -> (t list * strand list) list + +(** Get all "initial" reactions on a gate. *) +val initial_reactions : Domain.sub_map -> options -> t -> (t list * strand list) list + +(** Is a gate "reactive"? *) +val is_reactive : Domain.sub_map -> options -> t -> bool + +(******************************************************************************) +val universal_counters : t -> t + + + +(* FD Additions: *) +//val getEnergy : t -> SequenceCalc.energy \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/jsapi.fs b/ClassicDSD/ClassicDSDDotNet/jsapi.fs new file mode 100644 index 0000000..ad9b380 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/jsapi.fs @@ -0,0 +1,72 @@ +[] +module Microsoft.Research.DNA.JSAPI +open Microsoft.Research.CRNEngine +open Microsoft.Research.DNA.Dsd +open Microsoft.Research.CRNEngine.JSAPI + +type ParseObject = + { code : string + ; toeholds: string + ; specificities: string } + +type ParseResult = + { bundle : bundle + ; settings : Options.t + ; unexpanded : GuiIG } + +let set_options result settings = + let bundle = Dsd.set_options result.bundle settings + { result with bundle = bundle; settings = settings } + +/// This invokes the DSD parser. It consumes the toeholds text, the specificities text, and the code, and produces a Dsd.bundle. Note that the type of the bundle is opaque here, so it can be changed arbitrarily, provided that the API is preserved. +let parser:string->string->string->(bundle*Task option) = parse_extended + +/// Parses code and converts the unexpanded model into a CRN. +let user_parse (code:ParseObject) : ParseResult = + let (bundle,task) = parser code.toeholds code.specificities code.code in + let crn = convert_unexpanded bundle in + let gui = Gui.from_crn crn in + let model:GuiModel = { top = gui; systems = [] } + let ig:GuiIG = {task = task; nodes = Map.empty |> Map.add "" model; edges = Map.empty; expanded = false} + let options = get_options bundle + // I'm removing the rules program from the options, because it doesn't serialise properly and isn't needed anyway. + let settings = Options.set_rules_program None options + { bundle = bundle + ; settings = settings + ; unexpanded = ig } + +/// Expands the bundle into a CRN, unless it's JIT. If it's JIT, it just returns the unexpanded CRN. +let user_expand (bundle:bundle) : GuiModel = + let options = get_options bundle + let crn = if Options.get_is_jit options then convert_unexpanded bundle else convert_expand bundle + let gui = Gui.from_crn crn in + let model:GuiModel = { top = gui; systems = [] } + model + +/// Parses code and expands the model into a CRN, unless it's JIT. If it's JIT, it just returns the unexpanded CRN. +let user_compile (code:ParseObject) : GuiModel = + let (bundle,task) = parser code.toeholds code.specificities code.code in + let options = get_options bundle + let crn = if Options.get_is_jit options then convert_unexpanded bundle else convert_expand bundle + let gui = Gui.from_crn crn in + let model:GuiModel = { top = gui; systems = [] } + model + +let user_parse_oldsyntax (code:ParseObject) : ParseResult = { code with code = code.code |> SLConversion.convertSL } |> user_parse +let user_compile_oldsyntax (code:ParseObject) : GuiModel = { code with code = code.code |> SLConversion.convertSL } |> user_compile + +let get_jit_classic (bundle:bundle) : Microsoft.Research.CRNEngine.JSAPI.jit = + { jit = match Dsd.to_jit bundle with + | Choice1Of2 x -> x + | _ -> failwith "Internal error: expecting Classic DSD JIT." + calculus = Dsd.makeDsdCalculus bundle } + +let get_jit_rules (bundle:bundle) : Microsoft.Research.CRNEngine.JSAPI.jit> = + { jit = match Dsd.to_jit bundle with + | Choice2Of2 x -> x + | _ -> failwith "Internal error: expecting Rules DSD JIT." + calculus = Dsd.to_rules_calculus bundle } + +let is_jit (bundle:bundle) = Dsd.is_jit bundle + +let is_classic (bundle:bundle) = match bundle with ClassicDSD _ -> true | _ -> false \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/logicDSD.fs b/ClassicDSD/ClassicDSDDotNet/logicDSD.fs new file mode 100644 index 0000000..a5d7c2b --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/logicDSD.fs @@ -0,0 +1,1309 @@ +[] +module Microsoft.Research.DNA.LogicDSD + +open RulesDSD.Syntax +open RulesDSD.Substitution +open RulesDSD.Unification +open RulesDSD.ProcessEquality + +open System +open Parser +open System.Diagnostics + +let deSub (Sub s) = s + +//let NO_TAG = Term<_>.Func("%NO_TAG", []) +//let ANY_TAG = Term<_>.Func("%ANY_TAG", []) + + + +(* domain terms *) +[] +type Tag = NoTag | AnyTag | Tag of Term + with + static member ToString(t:Tag) = + match t with + | NoTag -> "{}" + | AnyTag -> "" + | Tag tag -> sprintf "{%s}" (Term.ToString tag) + static member IsConcrete (x : Tag) = + match x with + | NoTag + | AnyTag -> false + | Tag _ -> true + static member Canonical cle tag = + match tag with + | NoTag + | AnyTag -> tag + | Tag t -> Tag (Term.Canonical cle t) + static member Compare cle tag1 tag2 = + match tag1, tag2 with + | NoTag, NoTag -> EQ + | NoTag, _ -> LT + | AnyTag, NoTag -> GT + | AnyTag, AnyTag -> EQ + | AnyTag, Tag _ -> LT + | Tag t1, Tag t2 -> Term.Compare cle t1 t2 + | Tag _, _ -> GT + +and + [] + Domain = { name : string + // TODO: should there be a DNA seq : string? + isComplementary : bool + isToehold : bool + // tag : Term } + tag : Tag } + with + //static member NoTag : Term = NO_TAG // Term.Func("%NO_TAG", []) + //static member AnyTag : Term = ANY_TAG // = Term.Func("%ANY_TAG", []) + //static member IsConcreteTag (x : Term) = x <> Domain.NoTag && x <> Domain.AnyTag + static member ToString(x:Domain) = + x.name + + if x.isToehold then "^" else "" + + if x.isComplementary then "*" else "" + + if x.tag = Tag.NoTag + then "" // domains get NoTag as default value when they are parsed + else Tag.ToString x.tag + //+ if x.tag = Domain.NoTag then "" + // elif x.tag = Domain.AnyTag then "{_}" + // else sprintf "{%s}" (Term.ToString x.tag) + override this.ToString() = Domain.ToString this + static member ToStringSiteGraph(x:Domain) = + x.name + // there is no need to print "^" for toeholds, because toeholds are colored in the SVG visualization + + if x.isToehold then "^" else "" + + if x.isComplementary then "*" else "" + static member Create(name:string, isComplementary:bool, isToehold:bool, tag:Tag) = + { name = name + isComplementary = isComplementary + isToehold = isToehold + tag = tag } + static member Create(name:string, isComplementary:bool, isToehold:bool) = + { name = name + isComplementary = isComplementary + isToehold = isToehold + tag = NoTag } + + /// NB: Compare is only meant to be used in the normal form algorithm + static member Compare (d1:Domain) (d2:Domain) : int = + match System.String.Compare(d1.name, d2.name) with + | x when x = LT -> LT + | x when x = GT -> GT + | x when x = EQ -> match d1.isToehold, d2.isToehold with + | true, false -> LT + | false, true -> GT + | true, true + | false, false -> match d1.isComplementary, d2.isComplementary with + | true, false -> LT + | false, true -> GT + | true, true + | false, false -> EQ + | _ -> failwith "Unexpected error." + static member Canonical cle (d:Domain) = + { name = d.name + isComplementary = d.isComplementary + isToehold = d.isToehold + tag = d.tag |> Tag.Canonical cle } + +and [] + Bond = Bond of BondID + | Var of Var + with + static member ToString(x:Bond) = + match x with + | Bond d -> sprintf "%i" d + | Var v -> printVar v + override this.ToString() = Bond.ToString this + static member Compare compareBonds (b1:Bond) (b2:Bond) : int = + match b1, b2 with + | Bond.Var (_,X), Bond.Var (_,Y) -> System.String.Compare(X, Y) + | Bond.Var _, Bond.Bond _ -> LT + | Bond.Bond _, Bond.Var _ -> GT + | Bond.Bond i, Bond.Bond j -> compareBonds i j + +and [] + DomainT = Dom of Domain + // | Var of Var * Term (* domain variable, tag for that domain *) + | Var of Var * Tag + with + static member ToString(x:DomainT) = + match x with + | Dom d -> Domain.ToString d + | Var (v, t) -> printVar v + Tag.ToString t + override this.ToString() = DomainT.ToString this + static member ToStringSiteGraph(x:DomainT) = + match x with + | Dom d -> Domain.ToStringSiteGraph d + | Var (v,_) -> printVar v + static member Compare cle (d1:DomainT) (d2:DomainT) : int = + let domNumber x = match x with + | DomainT.Dom d -> match d.tag with + | NoTag -> 0 + | AnyTag -> 1 + | Tag _ -> 2 + | DomainT.Var(_, tag) -> match tag with + | AnyTag -> 3 + | NoTag -> 4 + | Tag _ -> 5 + let n1 = domNumber d1 + let n2 = domNumber d2 + if n1 < n2 then LT + elif n1 > n2 then GT + else + match d1, d2 with + | DomainT.Var ((_,X), NoTag), DomainT.Var ((_,Y), NoTag) -> System.String.Compare(X, Y) + | DomainT.Var ((_,X), tag1), DomainT.Var ((_,Y), tag2) -> + let cmp = System.String.Compare(X, Y) + if cmp = EQ + then Tag.Compare cle tag1 tag2 + else cmp + | DomainT.Dom d, DomainT.Dom e -> + let cmp = Domain.Compare d e + if cmp = EQ + then + Tag.Compare cle d.tag e.tag + // if d.tag = NoTag && e.tag = Domain.NoTag then EQ + // elif d.tag = Domain.NoTag && e.tag <> Domain.NoTag then LT + // elif d.tag <> Domain.NoTag && e.tag = Domain.NoTag then GT + // else Term.Compare cle d.tag e.tag + else cmp + | _,_ -> failwith "" + static member Canonical cle (d:DomainT) = + match d with + | DomainT.Dom d -> d |> Domain.Canonical cle |> DomainT.Dom + | _ -> d + +(* Site terms *) +and + [] + Site = Unbound of DomainT + | Bound of DomainT * Bond + with + static member ToStringWith domPrinter (x:Site) = + match x with + | Unbound d -> domPrinter d + | Bound (d, b) -> sprintf "%s!%s" (domPrinter d) (Bond.ToString b) + static member ToString(x:Site) = Site.ToStringWith (DomainT.ToString) x + override this.ToString() = Site.ToString this + + static member GetBonds x = + match x with + | Unbound _ -> Set.empty + | Bound (_, b) -> Set.singleton b + static member Map(f:Bond -> Bond, this) = + match this with + | Unbound _ -> this + | Bound (d, b) -> Bound (d, f b) + static member Compare cle compareBonds (s1:Site) (s2:Site) : int = + match s1, s2 with + | Site.Unbound X, Site.Unbound Y -> DomainT.Compare cle X Y + | Site.Unbound _, Site.Bound _ -> LT + | Site.Bound _, Site.Unbound _ -> GT + | Site.Bound(d1, b1), Site.Bound(d2, b2) -> + match DomainT.Compare cle d1 d2 with + | x when x = LT -> LT + | x when x = GT -> GT + | x when x = EQ -> Bond.Compare compareBonds b1 b2 + | _ -> failwith "Unexpected error." + + static member Canonical cle (x:Site) = + match x with + | Site.Bound(d,b) -> (DomainT.Canonical cle d, b) |> Site.Bound + | Site.Unbound(d) -> d |> DomainT.Canonical cle |> Site.Unbound + +and + [] + [] + SiteT = Site of Site + | Var of Var + with + static member ToStringWith domPrinter (x:SiteT) = + match x with + | Site s -> Site.ToStringWith domPrinter s + | Var v -> printVar v + static member ToString(x:SiteT) = SiteT.ToStringWith (DomainT.ToString) x + override this.ToString() = SiteT.ToString this + + static member GetBonds x = + match x with + | Site s -> Site.GetBonds s + | Var _ -> Set.empty + + static member Map(f:Bond -> Bond, this) = + match this with + | SiteT.Var _ -> this + | SiteT.Site s -> SiteT.Site (Site.Map(f, s)) + + static member Compare cle compareBonds (x:SiteT) (y:SiteT) : int = + match x, y with + | SiteT.Var (_,X), SiteT.Var (_,Y) -> System.String.Compare(X, Y) + | SiteT.Var _, SiteT.Site _ -> LT + | SiteT.Site _, SiteT.Var _ -> GT + | SiteT.Site s1, SiteT.Site s2 -> Site.Compare cle compareBonds s1 s2 + + static member Canonical cle (x:SiteT) = + match x with + | SiteT.Var _ -> x + | SiteT.Site s -> s |> Site.Canonical cle |> SiteT.Site + + + + + + + + + + + +(*****************************************************************) +(*****************************************************************) +(* Canonical form. + Sorts a process's strands and bonds in canonical form. + A process is in canonical form if: + * strands are sorted in lexicographic order, whereby + domains are sorted alphabetical order on the name of + the domain + * bonds are enumerated in increasing order, such + that the first bond to occur in the sorted list of strands + has ID 0, the second bond to occur has ID 1, etc. *) +(*****************************************************************) +(*****************************************************************) +let dsdCanonicalForm (cle:CLE) (p:Process) = // TODO factor out refresher? + let speciesCompare = cle.compare + + (* bond names renamer, starting from 0 upwards *) + let newBondRefresher () = + let freshBondsCounter = ref 0 + let refreshedBonds = ref Map.empty + let bondRefresher (s:SiteT) = + SiteT.Map(fun b -> match b with + | Bond.Var _ -> b + | Bond.Bond i -> if Map.containsKey i !refreshedBonds + then + Bond.Bond (!refreshedBonds).[i] + else + let freshID = !freshBondsCounter + freshBondsCounter := freshID + 1 + refreshedBonds := Map.add i freshID (!refreshedBonds) + Bond.Bond freshID + , s) + bondRefresher + + (* Bisimulation algorithm to split up lexicographically equivalent strands. + Strands can be grouped lexicographically, i.e. they have exactly the same domain names + and site kinds (bound or not), but they might be used in different contexts (e.g. one is bound to + a single strand while another one is bound to a bigger complex). + + For example, if we have: + + | + | + and are lexicographically equivalent (same names, same type of sites), but + in the strand is bound at the '3 end, while + is bound at the 5' end. + This is very important to find a unique canonical form. + + Sometimes strands cannot be differentiated by the context. + For example in: + | + the strands are lexicographically equivalent, and they are perfectly symmetrical. + Any permutation of bonds produces the same system. + We want to find out these cases too; we can give their bond any names without affecting the canonical form + (hopefully, I don't have a proof that the canonical form algorithm below is indeed unique yet. This is a variant of + the Paige-Tarjan block refinement algorithm to find equivalent strands up to bonds; see chapter 6 of Handbook of Process Algebra + for an overview. I believe that Nauty by McKay uses the same principle in its search for a canonical form, see + "McKay's Canonical Graph Labeling Algorithm" by S. G. Hartke and A. J. Radcliffe). + + If two strands have the same domains, this algorithm tries to differentiate them + by trying to find the earliest bond that points to different (non-bisimilar) strands. + *) + let sortIntoEquivalenceClasses p = + let bondRefresher = newBondRefresher () + let rec f (acc:Strand list list) (xs:Strand list) = + match xs with + | [] -> acc // sort internally each equivalence class by bond value + |> List.map (List.sortWith (fun str -> str |> List.compareWith (SiteT.Compare cle compare))) + | x::xs' -> if acc.IsEmpty + then f [[x]] xs' + else match List.compareWith (SiteT.Compare cle (fun _ _ -> EQ)) x acc.Head.Head with + | 0 (* EQ *) -> let acc' = (x::acc.Head) :: acc.Tail + f acc' xs' + | _ -> f ([x] :: acc) xs' + p + |> Process.ToList + // rename bonds so that they start from 0 upwards + |> List.fold (fun acc strand -> let strand' = strand |> List.map bondRefresher + strand' :: acc) [] + |> List.sortWith (List.compareWith ((SiteT.Compare cle (fun _ _ -> EQ)) (*integer compare*))) + |> f [] + |> List.rev + + let rec bisimulationSort (eqBlocks (* equivalence blocks *) : (Strand list) list) = + let foldi fold first source = + source + |> List.fold(fun (prev,i) c -> (fold i prev c,i + 1)) (first,0) + |> fst + let bondsInfo : ((int * int * int) Set) array = // array that maps a bond to a set of matching + // (block index, strand index, site index) + eqBlocks + |> foldi (fun blockIdx acc block -> + block + |> foldi (fun strandIdx acc strand -> + strand + |> foldi (fun siteIdx acc site -> + match site with + | SiteT.Site (Site.Bound(_,Bond.Bond i)) -> + let bondInfo = (blockIdx, strandIdx, siteIdx) + if Map.containsKey i acc + then acc.Add(i, Set.add bondInfo acc.[i]) + else acc.Add(i, Set.singleton bondInfo) + | _ -> acc + ) acc + ) acc + ) Map.empty + |> Map.toArray + |> fun m -> m |> Array.sortInPlaceBy fst + m |> Array.map snd + + let getBonds (s:Strand) : (int * int) list = // (siteIndex, bond) list + s |> foldi (fun siteIdx acc site -> + match site with + | SiteT.Site (Site.Bound(_,Bond.Bond b)) -> (siteIdx, b) :: acc + | _ -> acc + ) [] + |> List.rev + + let comparer x y = if x = y then EQ elif x < y then LT else GT + + let splitBlock = + eqBlocks + |> foldi (fun blockIdx acc block -> + match acc with + | Some _ -> acc + | None -> + block + |> foldi (fun splitterIdx acc splitter -> + match acc with + | Some _ -> acc + | None -> + let splitterBonds = getBonds splitter + let splitterResult = // try to split the block + block + |> foldi (fun targetIdx (ltAcc, eqAcc, gtAcc) target -> // (list of bisimilar strands to acc, list of non-bisimilar strands to acc) + if targetIdx = splitterIdx + then (ltAcc, target :: eqAcc, gtAcc) + else + let targetBonds = target |> getBonds + let isSplittable = + List.zip splitterBonds targetBonds + |> List.fold ( + fun acc ((siteIdx1, bond1), (siteIdx2, bond2)) -> + if acc <> EQ + then acc + else + let info1 = (blockIdx, splitterIdx, siteIdx1) + let info2 = (blockIdx, targetIdx, siteIdx2) + let splitterInfo = Set.remove info1 bondsInfo.[bond1] + let targetInfo = Set.remove info2 bondsInfo.[bond2] + if targetInfo.Count <> splitterInfo.Count + then comparer targetInfo.Count splitterInfo.Count + elif targetInfo.Count = 0 + then EQ + elif targetInfo.Count > 1 + then failwith <| sprintf "Bond %i cannot occur more than twice in a strand" bond1 + else + let (tBlock, tStrand, tSite) = targetInfo |> Set.toList |> List.head + let (sBlock, sStrand, sSite) = splitterInfo |> Set.toList |> List.head + if tBlock <> sBlock + then comparer tBlock sBlock + elif tStrand <> sStrand + then comparer tStrand sStrand + elif tSite <> sSite + then comparer tSite sSite + else EQ + ) EQ + match isSplittable with + | -1 (* LT *) -> target::ltAcc, eqAcc, gtAcc + | 0 (* EQ *) -> ltAcc, target::eqAcc, gtAcc + | 1 (* GT *) -> ltAcc, eqAcc, target::gtAcc + | _ -> failwith "" + ) ([], [], []) + match splitterResult with + | [], _, [] -> None // not a splitter + | lts, eqs, gts -> Some (blockIdx, lts, eqs, gts) + + ) None + ) None + match splitBlock with + | None -> eqBlocks // no splitter discovered: eqBlocks is a bisimulation + | Some (blockIdx, lessThanSplitter, equalsToSplitter, greaterThanSplitter)-> + let eqBlocks' = List.take blockIdx eqBlocks + @ ([lessThanSplitter; equalsToSplitter; greaterThanSplitter] + |> List.filter (List.isEmpty >> not)) + @ List.skip (blockIdx + 1) eqBlocks + bisimulationSort eqBlocks' + (*/bisimulation sort*) + + let normalise (p: Process) = + let bondRefresher = newBondRefresher() + + p + |> sortIntoEquivalenceClasses + |> bisimulationSort + // flatten all equivalence blocks + |> List.concat + // refresh bond names according to the new sorting + |> List.fold (fun acc strand -> let strand' = strand |> List.map bondRefresher + strand' :: acc) [] + |> List.rev + |> Process.OfList + + + // put a process in canonical form + p + |> normalise + + + +let logicDsdComposeProcesses (shiftBonds:bool) (p:Process) (q:Process) = + let q' = + if shiftBonds + then + let maxBondP = p |> Process.Fold + (fun acc x -> match x with + | SiteT.Site (Site.Bound (_, Bond.Bond i)) -> + if acc <= i + then acc + 1 + else acc + | _ -> acc) 0 + q |> Process.Map + (fun x -> + match x with + | SiteT.Site (Site.Bound (d, Bond.Bond i)) -> + SiteT.Site (Site.Bound (d, Bond.Bond (maxBondP + i))) + | _ -> x) + else q + (Process.ToList p) @ (Process.ToList q') + |> Process.OfList + + + + + + + + +let rec unifyTag cle tag1 tag2 : Sub> list = + match tag1, tag2 with + | NoTag, NoTag + | AnyTag, _ + | _, AnyTag -> [Substitution>.id |> deSub] + | Tag t1, Tag t2 -> unify cle [TEq (t1, t2)] |> List.map deSub + | Tag _, NoTag + | NoTag, Tag _ -> [] + +and unifyDomain (cle:CLE> ) (d1:DomainT, d2:DomainT) : Sub> list = + //let tagsMatch tag1 tag2 = + // if tag1 = tag2 + // then true + // else match tag1, tag2 with + // | AnyTag, NoTag + // | NoTag, AnyTag -> false + // | AnyTag, _ + // | _, AnyTag -> true + // | Tag t, _ + // | _, Tag t when t = Term.Wildcard -> t = Term.Wildcard + // | _ -> false + //let unifyTags tag1 tag2 = + // if tagsMatch tag1 tag2 + // then [Substitution>.id |> deSub] + // elif Tag.IsConcrete tag1 && Tag.IsConcrete tag2 + // then unify cle [TEq (tag1, tag2)] |> List.map deSub + // else [] + match d1, d2 with + | DomainT.Var ((-1,"_"), tag1), td2 + | td2 , DomainT.Var ((-1,"_"), tag1) -> + match td2 with + | DomainT.Var (_, tag2) -> unifyTag cle tag1 tag2 + | DomainT.Dom d -> unifyTag cle tag1 d.tag + + (* + | _, DomainT.Var ((-1,"_"), tag1) + // wildcards match anything + | DomainT.Var ((-1,"_"), None), _ + | _, DomainT.Var ((-1,"_"), None) -> [Substitution>.id |> deSub] + // generate a solution + | DomainT.Var (x, None), d + | d, DomainT.Var (x, None) -> + let asd : Choice = Choice1Of2 d + [Substitution>.Create(x, asd) |> deSub] + // Skip wildcards + | DomainT.Var ((-1, "_"), Some t1), DomainT.Var(_, Some t2) + | DomainT.Var (_ , Some t1), DomainT.Var((-1, "_"), Some t2) + -> unify cle [TEq (t1, t2)] |> List.map deSub + | DomainT.Var ((-1, "_"), Some tag1), DomainT.Dom d + | DomainT.Dom d, DomainT.Var ((-1, "_"), Some tag1) + -> match d.tag with + | None -> [] + | Some tag2 -> unify cle [TEq (tag1, tag2)] |> List.map deSub + *) + // generate a solution + | DomainT.Var (x, AnyTag), d + | d, DomainT.Var (x, AnyTag) -> + let asd : Choice = Choice1Of2 d + [Substitution>.Create(x, asd) |> deSub] + + + + | DomainT.Var (x, tag1), DomainT.Var (y, tag2) -> + let theta = Substitution>.Create(x, Choice1Of2 <| DomainT.Var(y, tag2)) + unifyTag cle tag1 tag2 + |> List.map (fun theta' -> Substitution.Compose theta (Sub theta') cle |> deSub) + | DomainT.Var (x, tag1), DomainT.Dom d + | DomainT.Dom d, DomainT.Var (x, tag1) -> + let theta = Substitution>.Create(x, Choice1Of2 <| DomainT.Dom d) + unifyTag cle tag1 d.tag + |> List.map (fun theta' -> Substitution.Compose theta (Sub theta') cle |> deSub) + + // check for equality + | DomainT.Dom d1, DomainT.Dom d2 -> + if d1.name = d2.name + && d1.isComplementary = d2.isComplementary + && d1.isToehold = d2.isToehold + then unifyTag cle d1.tag d2.tag + else [] + +and unifyBond (i1:Bond, i2:Bond) = + match i1, i2 with + | Bond.Var (-1,"_"), _ + | _, Bond.Var (-1,"_") -> Some Substitution.id + // generate a solution + | Bond.Var x, i + | i, Bond.Var x -> Some (Substitution>.Create(x, Choice2Of2 i)) + // check for equality + | Bond.Bond b1, Bond.Bond b2 -> if b1 = b2 + then Some Substitution.id + else None +and unifySite cle (site1:SiteT, site2:SiteT) = + match site1, site2 with + | SiteT.Var (-1,"_"), _ + | _, SiteT.Var (-1,"_") -> [Substitution>.id |> deSub] + | SiteT.Var x, s + | s, SiteT.Var x -> [Substitution>.Create(x, s) |> deSub] + + | SiteT.Site (Unbound d1), + SiteT.Site (Unbound d2) -> unifyDomain cle (d1, d2) + | SiteT.Site (Bound (d1, i1)), + SiteT.Site (Bound (d2, i2)) -> + match unifyDomain cle (d1, d2) with + | [] -> [] + | thetas1 -> + match unifyBond (i1, i2) with + | Some theta2 -> thetas1 |> List.map (fun theta1 -> Substitution>.Compose (Sub theta1) theta2 cle |> deSub) + | None -> [] + + | _, _-> [] + + + +let domApply unwrap (cle:CLE>) (sub:Sub>) (d:DomainT) = + let resolveDomain x = + let msg y z = failwithf "Cannot substitute %s %s in domain %s" y z (snd x) + match sub.TryFind x with + | Some (Choice4Of4 (Choice1Of2 d)) -> d + | Some (Choice1Of4 a) -> msg "site" (Term.ToStringWith cle a) + | Some (Choice2Of4 a) -> msg "location" (Location.ToString a) + | Some (Choice3Of4 (SiteT.Site (Site.Unbound d))) -> if unwrap then d else msg "site" (cle.toString (SiteT.Site (Site.Unbound d))) + | Some (Choice3Of4 a ) -> msg "site" (SiteT.ToString a) + | Some (Choice4Of4 (Choice2Of2 a)) -> msg "bond" (Bond.ToString a) + | None -> DomainT.Var (x, AnyTag) ///NoTag) + + match d with + | DomainT.Var ((-1, "_"), AnyTag) + | DomainT.Var ((-1, "_"), NoTag) -> d + | DomainT.Var ((-1, "_"), Tag tag) -> + let tag' = Substitution.Apply(Sub sub, tag, cle) + DomainT.Var ((-1, "_"), Tag tag') + + | DomainT.Var (x, tag1) -> + match tag1 with + | AnyTag -> resolveDomain x + | NoTag -> match resolveDomain x with + | DomainT.Var (z, NoTag) -> DomainT.Var (z, NoTag) + | DomainT.Var (z, AnyTag) -> DomainT.Var (z, NoTag) + | DomainT.Var (z, Tag t) -> failwith <| sprintf "Tag mismatch: cannot substitute %s in %s{} with %s{%s}" (RulesDSD.Syntax.printVar x) (RulesDSD.Syntax.printVar x) (RulesDSD.Syntax.printVar z) (Term.ToStringWith cle t) + | DomainT.Dom d -> if d.tag = NoTag + then DomainT.Dom d + else failwith <| sprintf "Tag mismatch: cannot substitute %s in %s{} with %s" (RulesDSD.Syntax.printVar x) (RulesDSD.Syntax.printVar x) (Domain.ToString d) + | Tag t1 -> match resolveDomain x with + | DomainT.Var (z, AnyTag) -> DomainT.Var (z, Tag t1) + | DomainT.Var (z, NoTag) -> failwith <| sprintf "Tag mismatch: cannot substitute %s in %s{%s} with %s{}" (printVar x) (printVar x) (Term.ToString t1) (printVar z) + | DomainT.Var (z, Tag tag2) -> if Substitution.Apply(Sub sub, t1, cle) = tag2 + then DomainT.Var (z, Tag tag2) + else failwith <| sprintf "Cannot substitute %s in %s with %s" (RulesDSD.Syntax.printVar x) (DomainT.ToString d) (snd x) + | DomainT.Dom d -> match d.tag with + | NoTag -> failwith "" + | AnyTag -> DomainT.Dom { d with tag = Tag t1 } + | Tag tag2 -> + if Substitution.Apply(Sub sub, t1, cle) = tag2 + then DomainT.Dom { d with tag = Tag tag2 } + else failwith <| sprintf "Cannot substitute %s in %s with %s" (RulesDSD.Syntax.printVar x) (Domain.ToString d) (Domain.ToString d) + (* + if d.tag = AnyTag + then DomainT.Dom d + elif Substitution.Apply(Sub sub, t1, cle) = d.tag + then DomainT.Var (z, Tag tag2) + else failwith <| sprintf "Tag mismatch: cannot substitute %s in %s{%s} with %s{}" (printVar x) (printVar x) (Term.ToString t1) (printVar z) + *) + (* + | DomainT.Var (x, Tag tag1) -> + match resolveDomain x with + | DomainT.Var (y, t2) -> + match t2 with + | NoTag -> failwith "" + | AnyTag -> DomainT.Var (y, Tag (Substitution.Apply(Sub sub, tag1, cle))) + | Tag tag2 -> if Substitution.Apply(Sub sub, tag1, cle) = tag2 + then DomainT.Var (y, Tag tag2) + else failwith <| sprintf "Cannot substitute %s in %s with %s" (RulesDSD.Syntax.printVar x) (DomainT.ToString d) (snd x) + | DomainT.Dom dom -> + match dom.tag with + | NoTag -> failwith "" + | AnyTag -> DomainT.Dom { dom with tag = Tag tag1 } + | Tag tag2 -> + if Substitution.Apply(Sub sub, tag1, cle) = tag2 + then DomainT.Dom { dom with tag = Tag tag2 } + else failwith <| sprintf "Cannot substitute %s in %s with %s" (RulesDSD.Syntax.printVar x) (DomainT.ToString d) (DomainT.ToString d) + *) + + | DomainT.Dom dom -> + match dom.tag with + | NoTag + | AnyTag -> d + | Tag tag2 -> let tag2' = Substitution.Apply(Sub sub, tag2, cle) + DomainT.Dom {dom with tag = Tag tag2' } + +let bondApply (cle:CLE>) (sub:Sub>) (b:Bond) = + let msg y z = failwithf "Cannot substitute %s %s in bond %s" y z (Bond.ToString b) + match b with + | Bond.Var v -> match sub.TryFind v with + | Some (Choice4Of4 (Choice2Of2 b)) -> b + | Some (Choice1Of4 a) -> msg "site" (Term.ToStringWith cle a) + | Some (Choice2Of4 a) -> msg "location" (Location.ToString a) + | Some (Choice3Of4 a) -> msg "site" (cle.toString a) + | Some (Choice4Of4 (Choice1Of2 d)) -> msg "domain" (DomainT.ToString d) + | None -> b + | Bond.Bond _ -> b + +let siteApply (cle:CLE>) (sub:Sub>) (s:SiteT) = + let msg v y z = failwithf "Cannot substitute site variable %s with %s %s" (snd v) y z + match s with + | SiteT.Var (-1, "_") -> s + | SiteT.Var v -> match sub.TryFind v with + | None -> s + | Some (Choice3Of4 s') -> s' + | Some (Choice1Of4 t) -> msg v "term" (Term.ToStringWith cle t) + | Some (Choice2Of4 l) -> msg v "location" (Location.ToString l) + | Some (Choice4Of4 (Choice1Of2 d)) -> SiteT.Site (Site.Unbound d) + | Some (Choice4Of4 (Choice2Of2 b)) -> SiteT.Site (Site.Bound (DomainT.Var((-1, ""), AnyTag), b)) + | SiteT.Site(Unbound (DomainT.Var (x, t))) -> let unwrap = match sub.TryFind x with + | Some (Choice3Of4 (SiteT.Site (Unbound _))) -> true + | _ -> false + SiteT.Site(Unbound (domApply unwrap cle sub (DomainT.Var (x, t)))) + | SiteT.Site(Unbound d ) -> SiteT.Site(Unbound (domApply false cle sub d)) + | SiteT.Site(Bound (d,i)) -> SiteT.Site(Bound (domApply false cle sub d, bondApply cle sub i)) + +let dsdSubApply (cle:CLE>) (sub:Sub>) (y:Choice>) : SiteT = + match y with + | Choice1Of2 s -> siteApply cle sub s + | Choice2Of2 c -> match c with + | Choice1Of2 d -> SiteT.Site (Site.Unbound (domApply true cle sub d)) + | Choice2Of2 b -> SiteT.Site (Site.Bound (DomainT.Var((-1, "_"), AnyTag), bondApply cle sub b)) + + +let dsdSubApply2 (cle:CLE>) (sub:Sub>) (y:Choice) : Choice = + match y with + | Choice1Of2 d -> Choice1Of2 (domApply false cle sub d) + | Choice2Of2 b -> Choice2Of2 (bondApply cle sub b) + + +let rec fvDomain dt = + match dt with + | DomainT.Dom _ -> Set.empty + | DomainT.Var (x, t) -> let fvTag = match t with + | NoTag + | AnyTag -> Set.empty + | Tag tag -> fvt ({ CLE>.empty with fvs = fvSiteT}) tag + let fvx = if x = (-1, "_") then Set.empty else Set.singleton (IVar (x, Choice1Of2 dt)) (*DVar x*) + Set.union fvTag fvx + +and fvBond b = + match b with + | Bond.Bond _ -> Set.empty + | Bond.Var (-1, "_") -> Set.empty + | Bond.Var x -> Set.singleton (Variable.IVar (x, Choice2Of2 b)) (*BVar x*) + +and fvSiteT (st:SiteT) = + match st with + | Site (Bound (d, i)) -> Set.union (fvDomain d) (fvBond i) + | Site (Unbound d) -> fvDomain d + | SiteT.Var x -> if x = (-1, "_") then Set.empty else Set.singleton (SVar (x, st)) + +// split a process into connected components of hybridized strands +let toDsdComplexes(p:Process) : Process list = + // TODO: optimize using a better algorithm to find connected components + // (e.g. https://en.wikipedia.org/wiki/Kosaraju%27s_algorithm, cfr. SiteGraphReactor) + let rec findComplex (complex:(SiteT list) list) (bonds:Set) strands = + let neighbours, strands' = + strands + |> List.partition (fun (x,_) -> Set.intersect bonds x + |> Set.isEmpty + |> not) + + if neighbours.IsEmpty + then + let system = complex + |> List.mapi (fun i x -> i, x) + |> Map.ofList + |> Process.Proc + (system, strands) + else + let complex' = complex @ (neighbours |> List.map snd) + let bonds' = Set.unionMany (bonds :: (neighbours |> List.map fst)) + findComplex complex' bonds' strands' + + + let rec findAllComplexes complexesAcc strandsAcc : Process list = + match strandsAcc with + | [] -> complexesAcc + | (bonds, strand)::rest -> + let (complex, strandsAcc') = findComplex [strand] bonds rest + let complexesAcc' = complex :: complexesAcc + findAllComplexes complexesAcc' strandsAcc' + + let findComplexes (Process.Proc sys:Process) : Process list = + let strands = sys + |> Map.toList + |> List.map (fun (_, strand) -> (strand + |> List.map SiteT.GetBonds + |> Set.unionMany + , strand)) + findAllComplexes [] strands + + p + |> findComplexes + + + + +let toStringSiteGraph (cle:CLE>) (x:Term) = + let printer x = match x with + | Choice1Of2 d -> DomainT.ToStringSiteGraph d + | Choice2Of2 b -> Bond.ToString b + let cle' = { cle with toStringTempVar = printer } + Term.ToStringWith cle' x + +(* Logic DSD predicates *) +let rec resolveDsdGoal (cle:CLE>) (name, args) (theta:Sub>) = + // (Substitution> *Substitution> * Literal list * Clause) list option + let f (Sub s) = s + let extendSolutions (cle:CLE>) (theta:Substitution>) solutions = + match solutions with + | [] -> None + | sols -> sols |> List.fold (fun acc sol -> + let theta' = Substitution.Update theta sol cle + (f sol, f theta') :: acc + ) [] + |> Some + + let g = Pred(name, args) + match g with + (*****************) + (* Context setup *) + (*****************) + | Pred ("toComplexes", [Term.Proc p; output]) + -> + let ps = p |> toDsdComplexes + |> List.map Term.Proc + |> Term.TList + unify cle [TEq (ps, output)] + |> extendSolutions cle (Sub theta) + + | Pred ("fromComplexes", [term; output]) + -> + match Term.FlattenList term with + | Choice1Of2 ts -> + let p0 = RulesDSD.Syntax.Process.OfList [] + match ts |> List.fold + (fun st t -> match st with + | None -> None + | Some (q:RulesDSD.Syntax.Process) + -> match t with + | Term.Proc p -> Some (cle.ComposeProcesses (*false*) q p ) + | _ -> None + ) + (Some p0) + with + | None -> None + | Some p -> unify cle [TEq (Term.Proc p, output) ] + |> extendSolutions cle (Sub theta) + | Choice2Of2 _ -> None + + | Pred ("toList", [Term.Proc (Process.Proc s); output]) + -> let strands = s + |> Map.toList + |> List.map (snd >> (List.map (fun d -> Pat (Pattern.Inner [d, Location.Var (-1, "_")]))) >> TList) + // |> List.map (fun d -> Pattern (Pattern.Inner [d])) + unify cle [TEq (output, TList strands) ] + |> extendSolutions cle (Sub theta) + + | Pred ("toDomains", [Term.Proc (Process.Proc s); output ]) + -> let domains = s + |> Map.toList + |> List.collect snd + |> List.map (fun d -> match d with + | SiteT.Site (Site.Bound (dm,_)) -> Pat (Pattern.Inner [SiteT.Site (Site.Unbound dm), Location.Var (-1, "_")]) + | SiteT.Site (Site.Unbound dm) -> Pat (Pattern.Inner [d, Location.Var (-1, "_")]) + | _ -> Pat (Pattern.Inner [d, Location.Var (-1, "_")])) + |> List.distinct + unify cle [TEq (output, TList domains) ] + |> extendSolutions cle (Sub theta) + + | Pred ("toSites", [Term.Proc (Process.Proc s); output ]) + -> let domains = s + |> Map.toList + |> List.collect snd + |> List.distinct + |> List.map (fun d -> Pat (Pattern.Inner [d, Location.Var (-1, "_")])) + unify cle [TEq (output, TList domains) ] + |> extendSolutions cle (Sub theta) + + (********************) + (* Strand utilities *) + (********************) + | Pred ("compl", [ Pat (Pattern.Inner [Site (Unbound (DomainT.Dom d)), _]) + Pat (Pattern.Inner [Site (Unbound (DomainT.Dom d')), _])]) + -> if d.isComplementary = not (d'.isComplementary) + && d.name = d'.name + && d.isToehold = d'.isToehold + then Some [f Substitution.id, theta] + else None + | Pred ("compl", [dvar; Pat (Pattern.Inner [Site (Unbound (DomainT.Dom d)), l])]) + | Pred ("compl", [Pat (Pattern.Inner [Site (Unbound (DomainT.Dom d)), l]); dvar]) + -> let d' = { d with isComplementary = not d.isComplementary; tag = NoTag } + unify cle [TEq (dvar, Pat (Pattern.Inner [Site (Unbound (DomainT.Dom d')), l]))] + |> extendSolutions cle (Sub theta) + | Pred ("freshBond", [pat; Term.TList sys ]) + -> + match ProcessEquality.Flatten cle (*false*) <| Term.TList sys with + | Some p -> let g' = ("freshBond", [pat; Term.Proc p ]) + resolveDsdGoal cle g' theta + | None -> None + | Pred ("freshBond", [Term.Var (i,y); Term.Proc sys]) + | Pred ("freshBond", [Pat (Pattern.Inner [Site (Bound (_, Bond.Var (i,y))), _]); Term.Proc sys ]) + -> + let freshBond = sys + |> Process.Fold + (fun acc site -> + match site with + | SiteT.Site (Site.Bound(_, Bond.Bond i)) -> + if acc <= i + then i+1 + else acc + | _ -> acc) 0 + let sol = Substitution>.Create( ((i,y) : Var), Choice2Of2 (Bond.Bond freshBond)) + let theta' = (Sub theta).Add((i,y), Choice2Of2 (Bond.Bond freshBond), cle) + Some [f sol, f theta'] + + | Pred ("complementary", [Pat (Pattern.Inner [SiteT.Site (Unbound (Dom d)), _])]) + | Pred ("complementary", [Pat (Pattern.Inner [SiteT.Site (Bound(Dom d, _)), _])]) + -> + if d.isComplementary + then Some [f Substitution.id, theta] + else None + | Pred ("toehold", [Pat (Pattern.Inner [SiteT.Site (Unbound (Dom d)), _])]) + | Pred ("toehold", [Pat (Pattern.Inner [SiteT.Site (Bound(Dom d, _)), _])]) + -> + if d.isToehold + then Some [f Substitution.id, theta] + else None + | Pred ("unbound", [Pat (Pattern.Inner [SiteT.Site (Unbound (Dom _)), _])]) + -> + Some [f Substitution.id, theta] + | _ -> None + +let refreshTag cle idProvider tag = + match tag with + | NoTag -> NoTag + | AnyTag -> AnyTag + | Tag t -> Tag (Term.refresh cle idProvider t) + +let refreshDomain (cle : CLE>) idProvider (d:Domain) = + if d.tag = NoTag || d.tag = AnyTag + then d + else { d with tag = refreshTag cle idProvider d.tag } + +let refreshDomainT cle idProvider = function + | DomainT.Var ((-1, "_"), tag) -> let tag' = tag |> refreshTag cle idProvider + DomainT.Var ((-1, "_"), tag') + | DomainT.Var ((_, x), tag) -> let tag' = tag |> refreshTag cle idProvider + DomainT.Var ((idProvider x, x), tag') + | DomainT.Dom d -> DomainT.Dom (refreshDomain cle idProvider d) + +let refreshBond idProvider = function + | Bond.Bond b -> Bond b + | Bond.Var (-1, "_") -> Bond.Var (-1, "_") + | Bond.Var (_, x) -> Bond.Var (idProvider x, x) + +let refreshSite cle idProvider = function + | Site.Bound (d, b) -> let d' = refreshDomainT cle idProvider d + let b' = refreshBond idProvider b + Site.Bound (d', b') + | Site.Unbound d -> let d' = refreshDomainT cle idProvider d + Site.Unbound d' +// TODO: refactor refresh into respective types +let refreshSiteT cle idProvider = function + | SiteT.Site s -> SiteT.Site (refreshSite cle idProvider s) + | SiteT.Var (-1, "_") -> SiteT.Var (-1, "_") + | SiteT.Var (_, x) -> SiteT.Var (idProvider x, x) + + + +let disambiguateVars (cle:CLE>) (c:Clause) : Clause = + let updateMap (m : Map) // what has v been mapped to so far? A term, location, site, domain, bond? + v // variable + (arg:Choice, Location, SiteT, DomainT, Bond>) = // what type of element is v being mapped to? + if m.ContainsKey v + then m.Add (v, (match m.[v] with (a,b,c,d,e) -> match arg with + | Choice1Of5 _ -> (true,b,c,d,e) + | Choice2Of5 _ -> (a,true,c,d,e) + | Choice3Of5 _ -> (a,b,true,d,e) + | Choice4Of5 _ -> (a,b,c,true,e) + | Choice5Of5 _ -> (a,b,c,d,true))) + else m.Add (v, match arg with + | Choice1Of5 _ -> (true,false,false,false,false) + | Choice2Of5 _ -> (false,true,false,false,false) + | Choice3Of5 _ -> (false,false,true,false,false) + | Choice4Of5 _ -> (false,false,false,true,false) + | Choice5Of5 _ -> (false,false,false,false,true)) + + let rec getMapDomain m d = + match d with + | DomainT.Var (v, tag) -> let m' = updateMap m v (Choice4Of5 d) + match tag with + | NoTag + | AnyTag -> m' + | Tag t -> getMapTerm m' t + | DomainT.Dom dom -> match dom.tag with + | NoTag + | AnyTag -> m + | Tag t ->getMapTerm m t + + and getMapBond m b = + match b with + | Bond.Var v -> updateMap m v (Choice5Of5 b) + | Bond.Bond _ -> m + and getMapLocation m l = + match l with + | Location.Var (x, y) -> let v = (x,y) in updateMap m v (Choice2Of5 l) + | Location.Loc _ -> m + + and getMapSite m s = + match s with + | SiteT.Var v -> updateMap m v (Choice3Of5 s) + | SiteT.Site (Site.Unbound d) -> getMapDomain m d + | SiteT.Site (Site.Bound (d,b)) -> getMapBond (getMapDomain m d) b + and getMapHole m (s:SiteT, l:Location) = getMapLocation (getMapSite m s) l + + and getMapPattern m = + function + | Pattern.Inner hs -> hs |> List.fold getMapHole m + | Pattern.Nihil -> m + | Pattern.FivePrime hs -> hs |> List.fold getMapHole m + | Pattern.ThreePrime hs -> hs |> List.fold getMapHole m + | Pattern.Nicking(hs1, hs2) -> let m' = hs1 |> List.fold getMapHole m + hs2 |> List.fold getMapHole m' + | Pattern.Strand hs -> hs |> List.fold getMapHole m + + and getMapProcess m = + function + | Process.Proc strandsMap -> strandsMap + |> Map.toList + |> List.map snd + |> List.fold (fun acc s -> s |> List.fold getMapSite acc) m + and getMapTerm m = + function + | Term.Var (x, y) -> let v = (x, y) + if m.ContainsKey v + then m.Add (v, (match m.[v] with (_, a,b,c,d) -> (true,a,b,c,d)) ) + else m.Add (v, (true,false,false,false,false)) + | Term.Const _ + | Term.Float _ -> m + | Func (_, ts) + | TList ts -> ts |> List.fold getMapTerm m + | TCons (t1, t2) -> let m' = getMapTerm m t1 + getMapTerm m' t2 + | Proc p -> getMapProcess m p + | Pat p -> getMapPattern m p + | Term.TMSet _ -> failwith "Multisets not supported in Logic DSD yet" + | Term.TCRN _ -> failwith "CRNs not supported in Logic DSD yet" + + + + + let getMapPredicate m = function + | Predicate.Pred(_, args) -> args |> List.fold getMapTerm m + + let getMapLit m = function + | Pos p -> getMapPredicate m p + | Neg p -> getMapPredicate m p + + + match c.head with + | Pred (_, lits) -> + // Build a map [variable name -> set of variable types associated with that name in the clause] + c.body + |> List.fold getMapLit (lits |> List.fold getMapTerm Map.empty) + |> Map.fold (fun (clause:Clause) varName assignments -> + if varName = (-1, "_") then clause // skip wildcards + else + match assignments with + | false, false, false, false, false + | true, false, false, false, false + | false, true, false, false, false + | false, false, true, false, false + | false, false, false, true, false + | false, false, false, false, true -> clause + | hasTVar, hasLVar, hasSVar, hasDVar, hasBond -> + if hasBond + then + if hasTVar + then failwith <| sprintf "Operation unsupported: cannot use bond variable \"%s\" alone as a term (it must be used in a pattern, e.g. D!%s)" (snd varName) (snd varName) + else failwith <| sprintf "Cannot unify bond variable \"%s\" with a %s variable" (snd varName) + (if hasDVar then "domain" + elif hasSVar then "site" + else "location") + elif hasLVar then + if hasSVar || hasDVar || hasBond + then failwith <| sprintf "Cannot unify location variable \"%s\" with a %s variable" (snd varName) + (if hasDVar then "domain" + elif hasSVar then "site" + else "bond") + elif not hasTVar + then clause + else + let pattern = Term.Pat <| Pattern.Inner [SiteT.Var (-1,"_"), Location.Var varName] + let sub = Substitution.Create(varName, pattern).Add(varName, Choice2Of4 <| Location.Var varName, cle) + sub.Apply(clause,cle) + + else // disambiguate variable + let rec substituteTerm (v:Var) (x:Term) ss (* site substitution *) (t:Term) : Term= + let f g x = + match x with + | NoTag -> NoTag + | AnyTag -> AnyTag + | Tag y -> Tag (g y) + let mapSite s = + match s with + | SiteT.Site (Site.Unbound (DomainT.Dom d)) -> SiteT.Site (Site.Unbound (DomainT.Dom ( { d with tag = f (substituteTerm v x ss) d.tag }))) + | SiteT.Site (Site.Bound (DomainT.Dom d, l)) -> SiteT.Site (Site.Bound (DomainT.Dom ( { d with tag = f (substituteTerm v x ss) d.tag }), l)) + | SiteT.Site (Site.Unbound (DomainT.Var (x', tag))) -> if tag = NoTag then s else SiteT.Site (Site.Unbound (DomainT.Var (x', f (substituteTerm v x ss) tag))) + | SiteT.Site (Site.Bound (DomainT.Var (x', tag),l)) -> if tag = NoTag then s else SiteT.Site (Site.Bound (DomainT.Var (x', f (substituteTerm v x ss) tag),l)) + | SiteT.Var v' -> match ss with + | None -> s + | Some s' -> if v = v' then s' else s + match t with + | Term.Var (v1, v2) -> if v = (v1, v2) then x else t + | Term.Const _ + | Term.Float _ -> t + | Term.Func (n, ts) -> Term.Func (n, ts |> List.map (substituteTerm v x ss)) + | Term.TList ts -> Term.TList (ts |> List.map (substituteTerm v x ss)) + | Term.TCons (t1, t2) -> Term.TCons (t1 |> substituteTerm v x ss, t2 |> substituteTerm v x ss) + | Term.Proc p -> p |> Process.Map (mapSite) + |> Term.Proc + | Term.Pat p -> p |> Pattern.Map (fun (s,l) -> mapSite s, l) + |> Term.Pat + | Term.TMSet _ -> failwith "Multisets not supported in Logic DSD yet" + | Term.TCRN _ -> failwith "CRNs not supported in Logic DSD yet" + + if hasDVar + then + let site = SiteT.Site <| (Site.Unbound (DomainT.Var (varName, AnyTag))) + let pattern = Term.Pat <| Pattern.Inner [site, Location.Var (-1,"_")] + let f = substituteTerm varName pattern (Some site) + Clause.Map f clause + else // can only be SVar at this point + let site = SiteT.Var varName + let pattern = Term.Pat <| Pattern.Inner [site, Location.Var (-1,"_")] + let f = substituteTerm varName pattern None + Clause.Map f clause + ) c + + + +let rec composer x y = dsdSubApply engine x (Choice1Of2 y) +and printer x = match x with + | Choice1Of2 x -> DomainT.ToString x + | Choice2Of2 x -> Bond.ToString x +and dsdToCanonicalFormProcess x = dsdCanonicalForm engine x +and dsdUnify x = unifySite engine x +and dsdApplySub x = dsdSubApply engine x +and dsdApplySubVar x = dsdSubApply2 engine x +and dsdCompose x = composer x +// and dsdComposeVar x = dsdSubApply2 engine x +and dsdRefresh x = refreshSiteT engine x +and dsdResolveGoal x = resolveDsdGoal engine x +and dsdDisambiguateVars x = disambiguateVars engine x +and dsdCompare x = SiteT.Compare engine compare x +and dsdCanonicalSite x = SiteT.Canonical engine x +and engine : CLE> = + { + toString = SiteT.ToString + toStringTempVar = printer // fun _ -> failwith "" + compare = dsdCompare + cast = fun (x:Choice) -> + match x with + | Choice1Of2 d -> SiteT.Site (Site.Unbound d) + | Choice2Of2 b -> SiteT.Site (Site.Bound (DomainT.Var((-1, "_"), AnyTag), b)) + toCanonicalForm = dsdCanonicalSite + toCanonicalFormProcess = dsdToCanonicalFormProcess + unify = dsdUnify + underscore = fun _ -> SiteT.Var(-1, "_") + applyAll = dsdApplySub + applySub = dsdCompose + applySubVar = dsdApplySubVar + fvs = fvSiteT + disambiguateVars = dsdDisambiguateVars + ComposeProcesses = logicDsdComposeProcesses false // Process<'s> -> Process<'s> -> Process<'s> + refresh = dsdRefresh + resolveGoal = dsdResolveGoal + domainKeywords = ["!"; "{"; "@"] + } + + + + + + + + + + + + + + + +///////////////// +///////////////// +//// Parsing //// +///////////////// +///////////////// +let pbond idProvider = + choice [ + RulesDSD.Parser.pname |>> (idProvider >> Bond.Var) + pint32 .>> spaces |>> Bond.Bond + ] + +let rec psite cle (idProvider : string -> (int*string)) isInitials : Parser.t = + let ptag st = Parser.choice [ Parser.braces (choice [ RulesDSD.Parser.pterm (psite cle idProvider isInitials) cle idProvider engine.domainKeywords |>> Tag + preturn NoTag ]) + preturn (if isInitials then NoTag else AnyTag) ] st // "st" avoids an infinite loop in the definition of ptag + let pdomain = + // make sure not to parse Prolog terms by mistake + Parser.plookAhead (RulesDSD.Parser.pname >>. choice [Parser.kw "(" >>. Parser.failParser "" >>= fun _ -> failwith "asdasdasd" + preturn ()] ) >>. + // parse domain + RulesDSD.Parser.pname >>= fun domName -> + if domName = "_" || System.Char.IsUpper (domName, 0) + then // dom is a variable + let domVar = if domName = "_" + then (-1, "_") + else idProvider domName + ptag |>> fun tag -> DomainT.Var (domVar, tag) + else // dom is a concrete domain + choice [ + kw "^" >>. + choice [ + (kw "*" >>. ptag |>> fun tag -> DomainT.Dom (Domain.Create(domName, true, true, tag))) + (ptag |>> fun tag -> DomainT.Dom (Domain.Create(domName, false, true, tag))) + ] + (kw "*" >>. ptag |>> fun tag -> DomainT.Dom (Domain.Create(domName, true, false, tag))) + (ptag |>> fun tag -> DomainT.Dom (Domain.Create(domName, false, false, tag))) + ] + pdomain .>>. choice [kw "!" >>. pbond idProvider |>> Some + preturn None] + |>> fun (d, b) -> + match b with + | None -> let ud = SiteT.Site (Site.Unbound d) + match d with + | DomainT.Var (x, tag) -> if tag = AnyTag then SiteT.Var x else ud + | _ -> ud + | Some bond -> SiteT.Site (Site.Bound (d, bond)) + + + + + + + +////////////////////// +// Concrete process // +////////////////////// + +(* The main purpose of the following definitions is to provide an intermediate data structure 'ProcessC' that strips a Syntax.Process + of Term-related components, thus providing a simpler data structure to render in the tool. *) + +// the suffix 'C' is for 'concrete', and it helps to separate this module's namespace from Syntax's namespace +type TagC = NoTagC | AnyTagC | TagC of string +type DomainC = { name : string + isComplementary : bool + isToehold : bool + tag : TagC } with + override this.ToString() = this.name + (if this.isToehold then "^" else "") + (if this.isComplementary then "*" else "") + end +type BondC = int +type SiteC = BoundC of DomainC * BondC + | UnboundC of DomainC + with override this.ToString() = match this with + | BoundC (domain,bond) -> domain.ToString()+"."+bond.ToString() + | UnboundC domain -> domain.ToString() + end +type StrandC = SiteC list +type ProcessC = StrandC list + + +let to_concrete_domain (dt:DomainT) : DomainC = + match dt with + | DomainT.Dom d -> + { name = d.name + isComplementary = d.isComplementary + isToehold = d.isToehold + tag = match d.tag with + | NoTag -> NoTagC + | AnyTag -> AnyTagC + | Tag t -> TagC(Term.ToString t) } + | DomainT.Var ((_,v),_) -> failwith <| sprintf "Cannot create concrete domain from %s, which is a variable." v + +let to_concrete_bond (b:Bond) = + match b with + | Bond.Bond i -> i + | Bond.Var (_, v) -> failwith <| sprintf "Cannot create concrete bond from %s, which is a variable." v +let to_concrete_site (st:SiteT) : SiteC = + match st with + | SiteT.Site s -> match s with + | Site.Bound (d, b) -> let d' = to_concrete_domain d + let b' = to_concrete_bond b + BoundC(d', b') + | Site.Unbound d -> UnboundC <| to_concrete_domain d + | SiteT.Var (_, v) -> failwith <| sprintf "Cannot create concrete site from %s, which is a variable." v + +let to_concrete_strand (s:Strand) : StrandC = + s + |> List.map to_concrete_site + +let to_concrete_process (Process.Proc p) : ProcessC = + p + |> Map.toList + |> List.map (snd >> to_concrete_strand) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/measures.fs b/ClassicDSD/ClassicDSDDotNet/measures.fs new file mode 100644 index 0000000..d4f4555 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/measures.fs @@ -0,0 +1,14 @@ +[] +module Microsoft.Research.DNA.Measures + +[] type kcal +[] type cal +[] type mol +/// Temperature in Kelvin +[] type K +/// Temperature in Centigrade +[] type C +/// Seconds (time) +[] type s +[] type litre +[] type M = mol/litre \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/measures.fsi b/ClassicDSD/ClassicDSDDotNet/measures.fsi new file mode 100644 index 0000000..d4f4555 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/measures.fsi @@ -0,0 +1,14 @@ +[] +module Microsoft.Research.DNA.Measures + +[] type kcal +[] type cal +[] type mol +/// Temperature in Kelvin +[] type K +/// Temperature in Centigrade +[] type C +/// Seconds (time) +[] type s +[] type litre +[] type M = mol/litre \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/options.fs b/ClassicDSD/ClassicDSDDotNet/options.fs new file mode 100644 index 0000000..6baba48 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/options.fs @@ -0,0 +1,574 @@ +[] +module Microsoft.Research.DNA.Options + +open Microsoft.Research.DNA +open Microsoft.Research.DNA.Measures + +module Lib = Microsoft.Research.CRNEngine.Lib +module E = Microsoft.Research.CRNEngine.Expression + +open Parser +type parser<'a> = Parser.t<'a> + +type prim = Microsoft.Research.CRNEngine.Expression.t + +(* We currently have four core reaction-level semantics to pick from. *) +type semantics = + | [] Infinite + | [] Default + | [] Finite + | [] Detailed +type generate_predicates = + | [] All_predicates + | [] No_predicates + +///Species rendering modes. +type renderer = + | [] Classic + | [] Circles + | [] Branches +///Determines how branches are arranged. +type arrange_mode = + | [] Wide + | [] Babylon +type renderer_mode = + | [] Complement + | [] Condensed + | [] Nucleotides +type rendering = { + renderer: renderer + mode: renderer_mode + rotate_labels: bool + arrange: arrange_mode +} +let default_rendering = {renderer=Branches;mode=Complement;rotate_labels=false;arrange=Babylon} + +(* Type for all DSD-specific options. *) +type t = { (* These are from the UI. *) + rules : semantics; + leaks : bool; + pin_leaks : bool; + polymers : bool; + unproductive : bool; + sequence_rates : bool; + temperature : float; + stabilityCorrection : float; + coaxialDangle : float; + doubleCoaxialDangle : float; + terminalDangleFactor : float; + coaxialCorrection : prim; + declare_domains : bool; + check_dna : bool; + colour_toeholds : bool; + program : string; + toeholds : string; + specificities : string; + plot_names : bool; + state_images : bool; + (* These are from the directives. *) + toehold_bind_rate:float; + toehold_unbind_rate:float; + leak_rate_l:prim; + leak_rate_w:prim; + pinleak_rate:prim option; + tau_rate:prim; + elementary_migration_rate:prim; + toehold_length:int; + specificity_length:int; + local_concentrations:(string * prim) list; + generate_predicates: generate_predicates; + rendering: rendering + is_jit: bool + rulesProgram: Map<(string * int), Set>> option} + +(* DSD-specific constants. *) +let default_matching_degree = 1.0 (* Deprecated *) +let default_toehold_bind_rate = 3.0E-4 (* /nM/s *) +let default_toehold_unbind_rate = 0.1126 (* /s *) +let default_leak_rate_l = 1.0E-9 (* /nM/s *) +let default_leak_rate_w = default_leak_rate_l / 100.0 (* /M/s Currently not used, since "slow leaks" are disabled. *) +let default_tau_rate = default_toehold_unbind_rate +let default_toehold_length = 6 +let default_specificity_length = 20 +let default_elementary_migration_rate = 1.0 / (125E-6) (* /s elementary step time scale of 125 /s/step *) + +let default_terminalDangleFactor = 1.0 // no units. 1.0 = full terminal dangles, 0.0 = no terminal dangle terms. +let default_coaxialCorrection = 0.0 // +let default_stabilityCorrection = 0.0 +let default_coaxialDangle = 2.0 +let default_doubleCoaxialDangle = 3.2 + +(* Default DSD-specific options. *) +let default_options = { rules = Default; + leaks = false; + pin_leaks = false; + polymers = false; + unproductive = false; + sequence_rates = false; + temperature = 23.0; + stabilityCorrection = default_stabilityCorrection; + coaxialDangle = default_coaxialDangle; + doubleCoaxialDangle = default_doubleCoaxialDangle; + terminalDangleFactor = default_terminalDangleFactor; + coaxialCorrection = prim.Float default_coaxialCorrection; + declare_domains = false; + check_dna = true; + colour_toeholds = true; + plot_names = true; + rendering = default_rendering; + state_images = true; + program = ""; + toeholds = DefaultDatabase.toeholds; + specificities = DefaultDatabase.specificities; + toehold_bind_rate = default_toehold_bind_rate; + toehold_unbind_rate = default_toehold_unbind_rate; + leak_rate_l = prim.Float default_leak_rate_l; + leak_rate_w = prim.Float default_leak_rate_w; + pinleak_rate = None; + tau_rate = prim.Float default_tau_rate; + elementary_migration_rate = prim.Float default_elementary_migration_rate; + toehold_length = default_toehold_length; + specificity_length = default_specificity_length; + local_concentrations = []; + generate_predicates = No_predicates; + is_jit = false + rulesProgram = None} + +type option_piece = (* A single option; a list of option_piece's can form an Option.t object. *) + | Rules of semantics + | Leaks + | PinLeaks + | Polymers + | Unproductive + | SequenceRates + | DeclareDomains + | CheckDna + | ColourToeholds + | Program of string + | Toeholds of string + | Specificities of string + | Rendering of rendering + | PlotNames + | StateImages + (* These are from the directives. *) + | ToeholdBindRate of float + | ToeholdUnbindRate of float + | LeakRateL of prim + | LeakRateW of prim + | PinLeakRate of prim option + | TauRate of prim + | ElementaryMigrationRate of prim + | ToeholdLength of int + | SpecificityLength of int + | LocalConcentrations of (string * prim) list + | GeneratePredicates of generate_predicates + (************************************) + | Temperature of float + | StabilityCorrection of float + | CoaxialDangle of float + | DoubleCoaxialDangle of float + | TerminalDangleFactor of float + | CoaxialCorrection of prim + | IsJit of bool + | IsRules of Map<(string * int), Set>> + +(* Keep the UI settings and erase those that are set in the program text (i.e. reset them to defaults). *) +let keep_ui_options (opts:t) = { default_options with check_dna = opts.check_dna; + colour_toeholds = opts.colour_toeholds; + rendering = opts.rendering; + plot_names = opts.plot_names; + state_images = opts.state_images; + program = opts.program; + toeholds = opts.toeholds; + specificities = opts.specificities; + local_concentrations = opts.local_concentrations } +(* +let keep_ui_options (opts:t) = { opts with toehold_bind_rate = default_toehold_bind_rate; + toehold_unbind_rate = default_toehold_unbind_rate; + leak_rate_l = default_leak_rate_l; + leak_rate_w = default_leak_rate_w; + tau_rate = default_tau_rate; + elementary_migration_rate = default_elementary_migration_rate; + toehold_length = default_toehold_length; + specificity_length = default_specificity_length } + *) +(******************************************************************************) +(* *** Get/set DSD-specific options. *) + +let getColourToeholds (opts:t) = opts.colour_toeholds +let setColourToeholds (b:bool) (opts:t) = { opts with colour_toeholds=b } +let getRules (opts:t) = opts.rules +let setRules (s:semantics) (opts:t) = { opts with rules=s } +let getLeaks (opts:t) = opts.leaks +let setLeaks (b:bool) (opts:t) = { opts with leaks=b } +let getPinLeaks (opts:t) = opts.pin_leaks +let setPinLeaks (b:bool) (opts:t) = { opts with pin_leaks=b } +let getUnproductive (opts:t) = opts.unproductive +let setUnproductive (b:bool) (opts:t) = { opts with unproductive = b } +let getSequenceRates (opts:t) = opts.sequence_rates +let setSequenceRates (b:bool) (opts:t) = { opts with sequence_rates = b } + +let getStabilityCorrection (opts:t) = opts.stabilityCorrection +let setStabilityCorrection (input : float) (opts:t) = {opts with stabilityCorrection = (input * 1.0) } +let getCoaxialDangle (opts:t) = opts.coaxialDangle +let setCoaxialDangle (input : float) (opts:t) = {opts with coaxialDangle = (input * 1.0) } +let getDoubleCoaxialDangle (opts:t) = opts.doubleCoaxialDangle +let setDoubleCoaxialDangle (input : float) (opts:t) = {opts with doubleCoaxialDangle = (input * 1.0) } + +(* 5' (phosphate) vs 3' (hydroxl) penalty *) +let getCoaxialCorrection (opts:t) = opts.coaxialCorrection +let setCoaxialCorrection (input:prim) (opts:t) = {opts with coaxialCorrection =( input ) } + +let getTemperature (opts:t) = opts.temperature +let setTemperature (opts:t) (input:float) = { opts with temperature = input * 1.0} +let getTerminalDangleFactor (opts:t) = opts.terminalDangleFactor +let setTerminalDangleFactor (opts:t) (input:float) = {opts with terminalDangleFactor = input} + +let getDeclareDomains(opts:t) = opts.declare_domains +let setDeclareDomains (b:bool) (opts:t) = { opts with declare_domains = b } +let getCheckDNA (opts:t) = opts.check_dna +let setCheckDNA (b:bool) (opts:t) = { opts with check_dna = b } +let getProgramText (opts:t) = opts.program +let setProgramText (s:string) (opts:t) = { opts with program = s } +let getToeholdsText (opts:t) = opts.toeholds +let setToeholdsText (s:string) (opts:t) = { opts with toeholds = s } +let getSpecificitiesText (opts:t) = opts.specificities +let setSpecificitiesText (s:string) (opts:t) = { opts with specificities = s } +let getPolymers (opts:t) = opts.polymers +let setPolymers (b:bool) (opts:t) = { opts with polymers = b } +let getRendering (opts:t) = opts.rendering +let setRendering m opts = {opts with rendering = m} +let getPlotNames (opts:t) = opts.plot_names +let setPlotNames (b:bool) (opts:t) = { opts with plot_names = b } +let getStateImages (opts:t) = opts.state_images +let setStateImages (b:bool) (opts:t) = { opts with state_images = b } + +(* Leak rates. *) +let get_leak_rate_l (opts:t) = opts.leak_rate_l +let get_leak_rate_w (opts:t) = opts.leak_rate_w +let set_leak_rate_l (l:prim) (opts:t) = { opts with leak_rate_l = l } (* Check commented out as not using slow leaks, so don't want to restrict fast leak rate *) + (*let w = opts.leak_rate_w in + if (w < l) then {opts with leak_rate_l=l} + else Errors.leak_rates_error l w*) +let set_leak_rate_w (w:prim) (opts:t) = { opts with leak_rate_w = w } (* Check commented out as not using slow leaks, so don't want to restrict fast leak rate *) + (*let l = opts.leak_rate_l in + if (w < l) then {opts with leak_rate_w=w} + else Errors.leak_rates_error l w*) + +let get_pinleak_rate (opts:t) = opts.pinleak_rate +let set_pinleak_rate (l:prim option) (opts:t) = { opts with pinleak_rate = l } + + +(* Tau reaction rate. *) +let get_tau_rate (opts:t) = opts.tau_rate +let set_tau_rate (r:prim) (opts:t) = {opts with tau_rate=r} + +(* Elementary migration rate. *) +let get_elementary_migration_rate (opts:t) = opts.elementary_migration_rate +let set_elementary_migration_rate (r:prim) (opts:t) = {opts with elementary_migration_rate=r} + +(* Toehold domain length. *) +let get_toehold_length (opts:t) = opts.toehold_length +let set_toehold_length (thlen:int) (opts:t) = + let splen = opts.specificity_length in + if (thlen < splen) then {opts with toehold_length=thlen} + else Errors.domain_lengths_error thlen splen + +(* Specificity domain length. *) +let get_specificity_length (opts:t) = opts.specificity_length +let set_specificity_length (splen:int) (opts:t) = + let thlen = opts.toehold_length in + if (thlen < splen) then {opts with specificity_length=splen} + else Errors.domain_lengths_error thlen splen + +(* Toehold rates. *) +let get_toehold_bind_rate (opts:t) = opts.toehold_bind_rate +let set_toehold_bind_rate (r:float) (opts:t) = {opts with toehold_bind_rate=r} +let get_toehold_unbind_rate (opts:t) = opts.toehold_unbind_rate +let set_toehold_unbind_rate (r:float) (opts:t) = {opts with toehold_unbind_rate=r} + +let set_local_concentrations lcs opts = {opts with local_concentrations = lcs} +let get_local_concentrations opts = opts.local_concentrations +let get_local_concentration opts tag = + match Lib.try_assoc tag opts.local_concentrations with + | Some lc -> lc + | None -> failwith (sprintf "The local concentration of %s is not defined" tag) + +let get_generate_predicates (opts:t) = opts.generate_predicates +let set_generate_predicates g opts = {opts with generate_predicates = g} + +let get_is_jit (opts : t) : bool = opts.is_jit +let set_is_jit (b : bool) (opts : t) = {opts with is_jit = b} + +let get_rules_program (opts : t) : Map<(string * int), Set>> option = opts.rulesProgram +let set_rules_program (r : Map<(string * int), Set>> option) (opts : t) = {opts with rulesProgram = r} + +(* parses an "option" directive and returns corresponding option_piece's *) +(* TODO: some things look weird, maybe they have to be fixed somehow? + - the parser takes "toeholds" followed by 2 floats; the Options structure has 3 fields related to toeholds, one string field "toeholds" which does not seem to be in use in the code base, and 2 float fields "toehold_bind_rate" and "toehold_unbind_rate" + - the parser takes "leak" followed by one value, and put is into "leak_rate_l". There is another field "leak_rate_w" which is not utilzed. + *) +let pfloatSp = pfloat .>> spaces +let pint32Sp = pint32 .>> spaces +let nameSp = name .>> spaces +let intName = nameSp <|> (pint32Sp |>> string) +let expParser = E.parse nameSp .>> spaces + +let localConc = Parser.sqBrackets + (Parser.sepBy (Parser.paren ((intName .>> ((kw ",")) .>>. expParser ))) (kw ";")) + >>= fun x -> preturn [LocalConcentrations x] +let localConc2 = Parser.sqBrackets + (Parser.sepBy (intName .>> (kw "=") .>>. expParser ) (kw ";")) + >>= fun x -> preturn [LocalConcentrations x] +let toeholds = pfloatSp >>= fun f1 -> + pfloatSp >>= fun f2 -> preturn [ToeholdBindRate f1; ToeholdUnbindRate f2] +let leak = expParser >>= fun v -> preturn [ LeakRateL v ] +let pinLeak = expParser >>= fun v -> preturn [ PinLeakRate (Some v) ] +let tauRate = expParser >>= fun v -> preturn [ TauRate v ] +let elemMigrateRate = expParser >>= fun v -> preturn [ ElementaryMigrationRate v ] +let lengths = pint32Sp >>= fun i -> + pint32Sp >>= fun j -> preturn [ToeholdLength i; SpecificityLength j] + +let KW_COMPLEMENT = "complement" +let KW_CONDENSED = "condensed" +let KW_NUCLEOTIDES = "nucleotides" +let KW_BRANCHES = "branches" +let KW_BABYLON = "babylon" +let KW_WIDE = "wide" +let KW_CIRCLES = "circles" +let KW_CLASSIC = "classic" +let KW_ROTATE_LABELS = "rotate_labels" + +let dictToMap (dic : System.Collections.Generic.IDictionary<_,_>) = + dic + |> Seq.map (|KeyValue|) + |> Map.ofSeq + +let displayRendering (r:rendering) = + let renderer = + if r.renderer <> default_rendering.renderer + then + sprintf "renderer = %s; " + <| match r.renderer with + | renderer.Branches -> KW_BRANCHES + | renderer.Circles -> KW_CIRCLES + | renderer.Classic -> KW_CLASSIC + else "" + let mode = + if r.mode <> default_rendering.mode + then + sprintf "mode = %s; " + <| match r.mode with + | renderer_mode.Complement -> KW_COMPLEMENT + | renderer_mode.Condensed -> KW_CONDENSED + | renderer_mode.Nucleotides -> KW_NUCLEOTIDES + else "" + let rotate_labels = + if r.rotate_labels <> default_rendering.rotate_labels + then + sprintf "rotate_labels = %s; " (string r.rotate_labels) + else "" + let arrange = + if r.arrange <> default_rendering.arrange + then + sprintf "arrange = %s; " + <| match r.arrange with + | arrange_mode.Babylon -> KW_BABYLON + | arrange_mode.Wide -> KW_WIDE + else "" + if r <> default_rendering + then sprintf "directive rendering { %s }" (renderer + mode + arrange + rotate_labels) + else "" + +// \ts directive +let cle = Microsoft.Research.DNA.LogicDSD.engine +let optionParsers = [ + (* + \gbar \te{compilation} \nt{Mode} & Compilation mode\\ + \nt{Mode} ::= \te{detailed} &\\ + \gbar \te{infinite} &\\ + \gbar \te{finite} &\\ + \gbar \te{default} &\\ + *) + kw "compilation" >>. choice [ kw "detailed" >>. preturn [Rules Detailed] + kw "infinite" >>. preturn [Rules Infinite] + kw "finite" >>. preturn [Rules Finite] + kw "default" >>. preturn [Rules Default] ] + kw "leaks" >>. preturn [Leaks] + kw "pinleaks" >>. preturn [PinLeaks] + kw "polymers" >>. preturn [Polymers] + kw "unproductive" >>. preturn [Unproductive] + kw "sequenceRates" >>. preturn [SequenceRates] + kw "declare" >>. preturn [DeclareDomains] + kw "toeholds" >>. toeholds // sets ToeholdBindRate and ToeholdUnbindRate + kw "leak" >>. leak // sets LeakRateL and LeakRateW + kw "pinleak" >>. pinLeak + kw "tau" >>. tauRate + kw "migrate" >>. elemMigrateRate + kw "lengths" >>. lengths + kw "localconcentrations" >>. localConc + kw "locations" >>. localConc2 + kw "predicates" >>. choice [kw "all" >>. preturn [GeneratePredicates All_predicates]; + kw "none" >>. preturn [GeneratePredicates No_predicates] ] + kw "rendering" >>. (record default_rendering + [ + "renderer", (choice [ + kw KW_BRANCHES |>> fun _ r -> ({r with renderer = Branches}) + kw KW_CLASSIC |>> fun _ r -> ({r with renderer = Classic}) + kw KW_CIRCLES |>> fun _ r -> ({r with renderer = Circles}) + ]) + ; "mode", (choice [ + kw KW_NUCLEOTIDES |>> fun _ r -> ({r with mode = Nucleotides}) + kw KW_COMPLEMENT |>> fun _ r -> ({r with mode = Complement}) + kw KW_CONDENSED |>> fun _ r -> ({r with mode = Condensed}) + ]) + ; "arrange", (choice [ + kw "babylon" |>> fun _ r -> ({r with arrange = Babylon}) + kw "wide" |>> fun _ r -> ({r with arrange = Wide}) + ]) + ; KW_ROTATE_LABELS, pbool |>> fun x b -> ({b with rotate_labels = x}) + ]) >>= (Rendering >> List.singleton >> preturn) + (* + kw "rendermode" >>. choice [kw KW_COMPLEMENT >>. preturn [Rendering {default_rendering with renderer=Classic;classic=Complement}] + kw KW_CONDENSED >>. preturn [Rendering {default_rendering with renderer=Classic;classic=Condensed}] + kw KW_NUCLEOTIDES >>. preturn [Rendering {default_rendering with renderer=Classic;classic=Nucleotides}] + kw KW_BRANCHES >>. preturn [Rendering {default_rendering with renderer=Branches}] + kw KW_CIRCLES >>. preturn [Rendering {default_rendering with renderer=Circles}]] + *) + kw "jit" >>. preturn [IsJit true] + kw "rules" >>. braces (RulesDSD.Parser.pprogram cle (fun x -> Microsoft.Research.DNA.LogicDSD.psite cle x false) : t>) + |>> fun (program:RulesDSD.Syntax.RulesProgram)-> + program + |> dictToMap + |> IsRules + |> List.singleton + // (System.Collections.Generic.Dictionary. IsRules >> List.singleton) + + kw "jit" >>. preturn [IsJit true] + kw "rules" >>. braces (RulesDSD.Parser.pprogram cle (fun x -> Microsoft.Research.DNA.LogicDSD.psite cle x false)) + |>> fun program -> + program + |> dictToMap + |> IsRules + |> List.singleton + // (System.Collections.Generic.Dictionary. IsRules >> List.singleton) + ] + +let parse_option = choice optionParsers + +let update_options ops o = + match o with + | Rules s -> { ops with rules = s } + | Leaks -> { ops with leaks = true } + | PinLeaks -> { ops with pin_leaks = true } + | Polymers -> { ops with polymers = true } + | Unproductive -> { ops with unproductive = true } + | SequenceRates -> { ops with sequence_rates = true } + | DeclareDomains -> { ops with declare_domains = true } + | CheckDna -> { ops with check_dna = true } + | ColourToeholds -> { ops with colour_toeholds = true } + | Program s -> { ops with program = s } + | Toeholds s -> { ops with toeholds = s } + | Specificities s -> { ops with specificities = s } + | Rendering r -> { ops with rendering = r } + | PlotNames -> { ops with plot_names = true } + | StateImages -> { ops with state_images = true } + (* These are from the directives. *) + | ToeholdBindRate f -> { ops with toehold_bind_rate = f } + | ToeholdUnbindRate f -> { ops with toehold_unbind_rate = f } + | LeakRateL p -> { ops with leak_rate_l = p } + | LeakRateW p -> { ops with leak_rate_w = p } + | PinLeakRate p -> { ops with pinleak_rate = p } + | TauRate p -> { ops with tau_rate = p } + | ElementaryMigrationRate p -> { ops with elementary_migration_rate = p } + | ToeholdLength i -> { ops with toehold_length = i } + | SpecificityLength i -> { ops with specificity_length = i } + | LocalConcentrations l -> { ops with local_concentrations = l } + | GeneratePredicates gp -> { ops with generate_predicates = gp } + (************************************************************************) + | Temperature f -> { ops with temperature = f } + | StabilityCorrection f -> { ops with stabilityCorrection = f } + | CoaxialDangle f -> { ops with coaxialDangle = f } + | DoubleCoaxialDangle f -> { ops with doubleCoaxialDangle = f } + | TerminalDangleFactor f -> { ops with terminalDangleFactor = f } + | CoaxialCorrection p -> { ops with coaxialCorrection = p } + | IsJit b -> { ops with is_jit = b } + | IsRules r -> { ops with rulesProgram = Some r} + + +let display + {rules = rules; + leaks = leaks; + pin_leaks = pin_leaks; + polymers = polymers ; + unproductive = unproductive ; + sequence_rates = sequence_rates; + temperature = _; + stabilityCorrection = _; + coaxialDangle = _; + doubleCoaxialDangle = _; + terminalDangleFactor = _; + coaxialCorrection = _; + declare_domains = declare_domains ; + check_dna = _ ; //check_dna ; // not used? + colour_toeholds = _; // colour_toeholds ; // not used? + program = _; + toeholds = _; + specificities = _; + rendering = rendering; + plot_names = _; + state_images = _; + (* These are from the directives. *) + toehold_bind_rate = toehold_bind_rate; + toehold_unbind_rate= toehold_unbind_rate; + leak_rate_l=leak_rate_l; + leak_rate_w=_; + pinleak_rate=pinleak_rate; + tau_rate=tau_rate; + elementary_migration_rate=elementary_migration_rate; + toehold_length=toehold_length; + specificity_length=specificity_length; + local_concentrations=local_concentrations; + generate_predicates= generate_predicates; + is_jit = isJit; + } : string = + + let plrates = match pinleak_rate with + | None -> None + | Some x -> Some ("directive pinleak " + E.to_string id x) + let lengths = (toehold_length, specificity_length) + let defLengths = (default_options.toehold_length, default_options.specificity_length) + let a1 = if rules = default_options.rules + then None + else Some (match rules with + | Infinite -> "directive compilation infinite" + | Finite -> "directive compilation finite" + | Detailed -> "directive compilation detailed" + | Default -> "directive compilation defaul") + let a2 = if leaks = default_options.leaks then None else Some "directive leaks" + let a3 = if pin_leaks = default_options.pin_leaks then None else Some "directive pinleaks" + let a4 = if polymers = default_options.polymers then None else Some "directive polymers" + let a5 = if unproductive = default_options.unproductive then None else Some "directive unproductive" + let a6 = if sequence_rates = default_options.sequence_rates then None else Some "directive sequenceRates" + let a7 = if declare_domains = default_options.declare_domains then None else Some "directive declare" + let a8 = if toehold_bind_rate = default_options.toehold_bind_rate + || toehold_unbind_rate = default_options.toehold_unbind_rate then None else Some ("directive toeholds " + toehold_bind_rate.ToString() + " " + toehold_unbind_rate.ToString() ) + let a9 = if leak_rate_l = default_options.leak_rate_l then None else Some ("directive leak " + E.to_string id leak_rate_l) + let a10 = if pinleak_rate = default_options.pinleak_rate then None else plrates + let a11 = if tau_rate = default_options.tau_rate then None else Some ("directive tau " + E.to_string id tau_rate) + let a12 = if elementary_migration_rate = default_options.elementary_migration_rate then None else Some ("directive migrate " + E.to_string id elementary_migration_rate) + let a13 = if lengths = defLengths then None else Some ("directive lengths " + toehold_length.ToString() + " "+specificity_length.ToString()) + let a14 = if local_concentrations = default_options.local_concentrations + then None + else Some ("directive localconcentrations [" + + String.concat "; " + (List.map (fun (n, x) -> "(" + n + ", " + E.to_string id x + ")") local_concentrations) + + "]") + let a15 = if generate_predicates = default_options.generate_predicates then None else Some ("directive predicates " + match generate_predicates with + | All_predicates -> "all" + | No_predicates -> "none") + let a16 = if rendering = default_options.rendering then None else Some (displayRendering rendering) + let a17 = if isJit then Some "directive jit" else None + match List.choose id [a1;a2;a3;a4;a5;a6;a7;a8;a9;a10;a11;a12;a13;a14;a15;a16;a17] with + | [] -> "" + | xs -> String.concat "\n" xs + "\n" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/options.fsi b/ClassicDSD/ClassicDSDDotNet/options.fsi new file mode 100644 index 0000000..2604fe9 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/options.fsi @@ -0,0 +1,181 @@ +module Microsoft.Research.DNA.Options +open Microsoft.Research.DNA + +open Microsoft.Research.DNA.Measures + +//#use measures.ml +open Parser + +type parser<'a> = Parser.t<'a> +type option_piece + +type prim = Microsoft.Research.CRNEngine.Expression.t + +type semantics = + | [] Infinite + | [] Default + | [] Finite + | [] Detailed +type generate_predicates = + | [] All_predicates + | [] No_predicates + +///Species rendering modes + +type renderer = + | [] Classic + | [] Circles + | [] Branches +///Determines how branches are arranged. +type arrange_mode = + | [] Wide + | [] Babylon +type renderer_mode = + | [] Complement + | [] Condensed + | [] Nucleotides +type rendering = { + renderer: renderer + mode: renderer_mode + rotate_labels: bool + arrange: arrange_mode +} + +(* Main type for DSD-specific options. *) +type t = { (* These are from the UI. *) + rules : semantics; + leaks : bool; + pin_leaks : bool; + polymers : bool; + unproductive : bool; + sequence_rates : bool; + temperature : float; + stabilityCorrection : float; + coaxialDangle : float; + doubleCoaxialDangle : float; + terminalDangleFactor : float; + coaxialCorrection : prim; + declare_domains : bool; + check_dna : bool; + colour_toeholds : bool; + program : string; + toeholds : string; + specificities : string; + plot_names : bool; + state_images : bool; + (* These are from the directives. *) + toehold_bind_rate:float; + toehold_unbind_rate:float; + leak_rate_l:prim; + leak_rate_w:prim; + pinleak_rate:prim option; + tau_rate:prim; + elementary_migration_rate:prim; + toehold_length:int; + specificity_length:int; + local_concentrations:(string * prim) list; + generate_predicates: generate_predicates; + rendering: rendering + is_jit: bool + rulesProgram: Map<(string * int), Set>> option} + +(* Default values of DSD-specific options. *) +val default_matching_degree : float +val default_toehold_bind_rate : float +val default_toehold_unbind_rate : float +val default_leak_rate_l : float +val default_leak_rate_w : float +val default_tau_rate : float +val default_toehold_length : int +val default_specificity_length : int +val default_elementary_migration_rate : float + +val default_options : t +val keep_ui_options : t -> t + +val getColourToeholds : t -> bool +val setColourToeholds : bool -> t -> t +val getRules : t -> semantics +val setRules : semantics -> t -> t +val getLeaks : t -> bool +val setLeaks : bool -> t -> t +val getPinLeaks : t -> bool +val setPinLeaks : bool -> t -> t +val getUnproductive : t -> bool +val setUnproductive : bool -> t -> t +val getSequenceRates : t -> bool +val setSequenceRates : bool -> t -> t + +val getStabilityCorrection : t -> float +val setStabilityCorrection : float -> t -> t +val getCoaxialDangle : t -> float +val setCoaxialDangle : float -> t -> t + +val getDoubleCoaxialDangle : t -> float +val setDoubleCoaxialDangle : float -> t -> t + +val getCoaxialCorrection : t -> prim +val setCoaxialCorrection : prim -> t -> t + +val getTemperature : t -> float +val setTemperature : t -> float -> t +val getTerminalDangleFactor: t -> float +val setTerminalDangleFactor: t -> float -> t + +val getDeclareDomains : t -> bool +val setDeclareDomains : bool -> t -> t +val getCheckDNA : t -> bool +val setCheckDNA : bool -> t -> t +val getProgramText : t -> string +val setProgramText : string -> t -> t +val getToeholdsText : t -> string +val setToeholdsText : string -> t -> t +val getSpecificitiesText : t -> string +val setSpecificitiesText : string -> t -> t +val getPolymers : t -> bool +val setPolymers : bool -> t -> t +val getRendering : t -> rendering +val setRendering : rendering -> t -> t +val getPlotNames : t -> bool +val setPlotNames : bool -> t -> t +val getStateImages : t -> bool +val setStateImages : bool -> t -> t + +val get_leak_rate_l : t -> prim +val set_leak_rate_l : prim -> t -> t +val get_leak_rate_w : t -> prim +val set_leak_rate_w : prim -> t -> t +val get_tau_rate : t -> prim +val get_pinleak_rate : t -> prim option +val set_pinleak_rate : prim option -> t -> t +val set_tau_rate : prim -> t -> t +val get_elementary_migration_rate : t -> prim +val set_elementary_migration_rate : prim -> t -> t +val get_toehold_length : t -> int +val set_toehold_length : int -> t -> t +val get_specificity_length : t -> int +val set_specificity_length : int -> t -> t +val get_toehold_bind_rate : t -> float +val set_toehold_bind_rate : float -> t -> t +val get_toehold_unbind_rate : t -> float +val set_toehold_unbind_rate : float -> t -> t + +val set_local_concentrations : (string * prim) list -> t -> t +val get_local_concentrations : t -> (string * prim) list +val get_local_concentration : t -> string -> prim + +val get_generate_predicates : t -> generate_predicates +val set_generate_predicates : generate_predicates -> t -> t + +val get_is_jit : t -> bool +val set_is_jit : bool -> t -> t +// CS: a Rules DSD program is stored as a Map instead of a Dictionary +// because W# doesn't support non-string keys in Dictionary (as of 11/04/2018). +val get_rules_program : t -> Map<(string * int), Set>> option +val set_rules_program : Map<(string * int), Set>> option -> t -> t + +val optionParsers : parser list +val parse_option : parser +val update_options : t -> option_piece -> t + +val display : t -> string \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/origami.fs b/ClassicDSD/ClassicDSDDotNet/origami.fs new file mode 100644 index 0000000..1e3c948 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/origami.fs @@ -0,0 +1,489 @@ +[] +module Microsoft.Research.DNA.Origami +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +module Prim = Microsoft.Research.CRNEngine.Expression + +type options = Options.t +type value_env = Value.t_env +type domain = Domain.t +type strand = Strand.t +type gate = Gate.t + +type tag = Domain.tag + +type content = C_strand of strand | C_gate of gate +type t = content list + +(* Function to Lib.collect over an origami *) +let origami_collect s_proc g_proc cs = + Lib.collect (fun c -> + match c with C_strand s -> s_proc s + | C_gate g -> g_proc g) cs + +(* Function to Lib.map over an origami *) +let origami_map s_proc g_proc cs = + List.map (fun c -> + match c with C_strand s -> C_strand (s_proc s) + | C_gate g -> C_gate (g_proc g)) cs + +(* Function to iterate over an origami *) +let origami_iter s_proc g_proc cs = + List.iter (fun c -> + match c with C_strand s -> s_proc s + | C_gate g -> g_proc g) cs + +(* Render an origami to a string, only rendering anchored strands and gates once, with debugging information *) +let debug_display (cs : list) = + let as_string = + cs + |> Lib.string_of_list + (fun c -> + match c with + | C_strand s -> "Strand: " + Strand.display(s) + | C_gate g -> "Gate: " + Gate.display(g)) + "; " + "[[" + as_string + "]]" + +(* Render an origami to a string, only rendering anchored strands and gates once and ignoring shared anchors *) +let display (cs : t) = + "[[ " + (Lib.string_of_list Lib.id "\n | " + (origami_collect (fun s -> [Strand.display s]) (fun g -> [Gate.display g]) cs)) + " ]]" + +let display_option d = function + | None -> "None" + | Some x -> d x + +(* Collect all free names from the anchored strands and gates on an origami *) +let free_names (cs:t) = origami_collect Strand.free_names Gate.free_names cs + +(* Collect all domains from the anchored strands and gates on an origami *) +let domains (cs : t) : domain list = origami_collect Strand.domains Gate.domains cs + +(* Evaluate all of the values within the anchored strands and gates of an origami *) +let eval env (cs:t) = origami_map (Strand.eval env) (Gate.eval env) cs +(* Type check all of the anchored strands and gates of an origami *) +let inferType env (cs:t) = origami_iter (Strand.inferType (Some true) env) (Gate.inferType (Some true) env) cs +(* Erase or replace source information in all anchored domains, strands, and gates *) +let erasePosns (cs:t) = origami_map Strand.erasePosns Gate.erasePosns cs +let replacePosns t cs = origami_map (Strand.replacePosns t) (Gate.replacePosns t) cs + +(* Does origami cs 'match' the pattern origami csp, i.e. do the contained species match *) +(* NB: Need to include the notion of optional anchored species for this match *) +let matches opts csp cs = + (List.length csp = List.length cs) && + List.forall2 (fun cp c -> + match cp,c with + (C_strand sp, C_strand s) -> Strand.matches sp s + | (C_gate gp, C_gate g) -> Gate.matches opts gp g + | _,_ -> false) csp cs + +let matches_env (_:options) (_: Domain.match_env) (_:t) (_:t) = (None: Domain.match_env option) + +let has_wildcard (o:t) = + let content_has_wildcard = function + | C_strand s -> Strand.has_wildcard s + | C_gate g -> Gate.has_wildcard g in + List.exists content_has_wildcard o + +(* Convert all of the anchored strands and gates into their standard forms, according to the semantics *) +let standard_form opts (cs : t) = + origami_map Strand.standard_form (Gate.standard_form opts) cs + |> List.sort + +(* Collect a list of all of the neighbouring toeholds on the anchored strands and gates. + Used for a deprecated(?) correctness check *) +let neighbouring_toeholds (cs : t) : (domain*domain) option list = + origami_collect (fun s -> [Strand.neighbouring_toeholds s]) (fun g -> [Gate.neighbouring_toeholds g]) cs + +(* Collect a list of all exposed nontoehold domains on the anchored strands and gates. *) +let exposed_nontoeholds (cs : t) : domain list = origami_collect Strand.exposed_nontoeholds Gate.exposed_nontoeholds cs + +(* An origami is reactive if any of the anchored species are reactive *) +let is_reactive sub_map (opts : options) (cs : t) : bool = + List.exists (fun c -> + match c with + C_strand s -> Strand.is_reactive s + | C_gate g -> Gate.is_reactive sub_map opts g) cs + +(* rotate the anchored gates and strands of an origami *) +let rotate (opts : options) (cs : t) : t = origami_map Strand.rotate (Gate.rotate opts) cs + +(*Types for lists of anchored components, associated with their domain *) +type gate_assoc = (domain * (gate * domain list)) list +type strand_assoc = (domain * (strand * domain list)) list +type domain_assoc = (domain * int) list + +(* Returns the anchored location of a tethered domain; -1 as an illegal location *) +let get_anchor = function Domain.Toe(_,_,_,Some (_,i)) | Domain.Normal(_,_,Some (_,i)) -> i | _ -> -1 + +(* compare tethers by their anchored location *) +let matching_tether d1 d2 = + match d1,d2 with + | Domain.Toe(_,_,_,Some (_,i)), Domain.Toe(_,_,_,Some(_,j)) + | Domain.Normal(_,_,Some (_,i)), Domain.Normal(_,_,Some(_,j)) -> i=j + | _ -> false + +let less_than_tether d1 d2 = (get_anchor d1) < (get_anchor d2) + +let matching_tether_options d1 d2 = + match d1,d2 with Some(d1),Some(d2) -> matching_tether d1 d2 | _ -> false + +(* try_find_domain, association find comparing only the tethered position of a domain *) +let rec try_find_domain d = function + [] -> None + | (dk,store)::assocs -> + if matching_tether d dk then Some(store) else try_find_domain d assocs + +let rec lookup_anchor i = function + [] -> None + | (dk,store)::assocs -> + if (get_anchor dk) = i then Some(store) else lookup_anchor i assocs + +(* try_remove_domain, association remove comparing only the tetthered position of a domain *) +let rec try_remove_domain d = function + [] -> [] + | (dk,store)::assocs -> + if matching_tether d dk then assocs else (dk,store)::(try_remove_domain d assocs) + +let try_remove_domain_option d ds = + match d with Some(d) -> try_remove_domain d ds | None -> ds + +(* remove all domain associations in ds from the association lists *) +let rec remove_all ds = function + [] -> [] + | (d,a)::assocs -> if (List.exists (matching_tether d) ds) then remove_all ds assocs else (d,a)::(remove_all ds assocs) + +(* Pull apart an origami to look at the individual strands and gates, but retain the domain sharing information *) +let separate_species (o : t) : strand list * gate list = //strand_assoc * gate_assoc * domain_assoc = + let rec joined_domains acc_s acc_g = function + [] -> acc_s,acc_g + | (C_strand s)::ts -> joined_domains (s::acc_s) acc_g ts + | (C_gate g)::ts -> joined_domains acc_s (g::acc_g) ts + in + let ss,gs = joined_domains [] [] o in + List.rev ss, List.rev gs + +(* Give the anchored species of an origami *) +let origami_species o = separate_species o |> (fun (ss, gs) -> gs, ss) + +(* Build a new origami based on the anchored domain order of an existing origami and affiliated associations *) +let construct_origami (strands : strand list) (gates : gate list) = + (strands |> List.map C_strand) @ (gates |> List.map C_gate) + +(* Do two origami contain equal anchored domains and equal species, upto gate rotation *) +let equal opts csp cs = + (List.length csp = List.length cs) && + List.forall2 (fun cp c -> + match cp,c with + C_strand sp, C_strand s -> Strand.equal sp s + | C_gate gp, C_gate g -> Gate.equal opts gp g + | _ -> false) csp cs + +(**************************************************************************************************************************************) +(** Sticking reactions using an origami: both inside the origami and causing new strands and gates to enter *) + +let localize_bind_rate_from_tags opts m = + let get_tag_lc (t,_:float) = Options.get_local_concentration opts t in + match Domain.get_tags m with + | None -> m + | Some tags -> + let lcs = List.map get_tag_lc tags in + let lc = Lib.fold_left Prim.add (Prim.Float 0.0) lcs in (* RLP: Is max in the paper *) + Domain.localize_bind_rate m lc + +let remove_strand = Lib.remove_first Strand.equal +let remove_gate opts = Lib.remove_first (Gate.equal opts) + +(* Function to build the different gate + strand sticking functions, using maps_over *) +let sticking_reactions_strand_gate sub_map (opts : options) (o:t) build_reactants = + let strands,gates = separate_species o in + let gate_strand_stick (s:strand, g:gate) = + let rs = (Gate.stick_strand_to_gate sub_map (Options.getUnproductive opts) (Strand.annotate_tag_sets s) (Gate.annotate_tag_sets g)) in + List.map (fun (_,_,dom,gn) -> (g,s,localize_bind_rate_from_tags opts dom,Gate.unannotate_tag_sets gn)) rs in + let build_origami_reaction (g,s,(dom:domain),(gn:gate)) = + let strands = remove_strand s strands in + let gates = remove_gate opts g gates in + (g,s,dom,gn,construct_origami strands (gn::gates)) + in + build_reactants strands gates + |> List.collect gate_strand_stick + |> List.map build_origami_reaction + +(* Function to build the different strand + strand sticking functions, using build_reactants *) +let sticking_reactions_strand_strand sub_map (opts : options) (o:t) build_reactants = + let strands,gates = separate_species o in + let strand_strand_stick (s1, s2) = + let rs = (Gate.stick_strand_to_strand sub_map (Options.getUnproductive opts) (Strand.annotate_tag_sets s1) (Strand.annotate_tag_sets s2)) in + List.map (fun (_,_,dom,gn) -> (s1,s2,localize_bind_rate_from_tags opts dom,Gate.unannotate_tag_sets gn)) rs in + let build_origami_reaction (s1,s2,(dom:domain),(gn:gate)) = + let strands = strands |> remove_strand s1 |> remove_strand s2 in + (s1,s2,dom,gn,construct_origami strands (gn::gates)) + + build_reactants strands gates + |> List.collect strand_strand_stick + |> List.map build_origami_reaction + +(* Function to build the different gate + gate sticking functions, using build_reactants *) +let sticking_reactions_gate_gate sub_map (opts : options) (o:t) build_reactants = + let strands,gates = separate_species o in + let gate_gate_stick (g1, g2) = + let rs = (Gate.stick_gate_to_gate sub_map opts (Gate.annotate_tag_sets g1) (Gate.annotate_tag_sets g2)) in + List.map (fun (_,_,dom,gn) -> (g1,g2,localize_bind_rate_from_tags opts dom,Gate.unannotate_tag_sets gn)) rs in + let build_origami_reaction (g1,g2,(dom:domain),(gn:gate)) = + let gates = gates |> remove_gate opts g1 |> remove_gate opts g2 in + (g1,g2,dom,gn,construct_origami strands (gn::gates)) + in + build_reactants strands gates + |> List.collect gate_gate_stick + |> List.map build_origami_reaction + +(** Sticking reactions between strands and a given gate within an origami *) + +(** ... gates and a given strand within an origami *) +let sticking_reactions_sg sub_map (opts:options) (o:t) (s:strand) : (gate * strand * domain * gate * t) list = + let build_reactants (_:strand list) (gates:gate list) = List.map (fun g -> s, g) gates in + sticking_reactions_strand_gate sub_map opts o build_reactants + +(** ... strands and a given gate within an origami *) +let sticking_reactions_gs sub_map (opts:options) (o:t) (g:gate) : (gate * strand * domain * gate * t) list = + let build_reactants (strands:strand list) (_:gate list) = List.map (fun s -> s, g) strands in + sticking_reactions_strand_gate sub_map opts o build_reactants + +(** ... strands and a given strand within an origami *) +let sticking_reactions_ss sub_map (opts:options) (o:t) (s:strand) : (strand * strand * domain * gate * t) list = + let build_reactants (strands:strand list) (_:gate list) = List.choose (fun st -> if Strand.equal s st then None else Some (s, st)) strands in + sticking_reactions_strand_strand sub_map opts o build_reactants + +(** ... gates and a given gate within an origami *) +let sticking_reactions_gg sub_map (opts:options) (o:t) (g:gate) : (gate * gate * domain * gate * t) list = + let build_reactants (_:strand list) (gates:gate list) = List.choose (fun gt -> if Gate.equal opts g gt then None else Some (g, gt)) gates in + sticking_reactions_gate_gate sub_map opts o build_reactants + +(** Sticking reactions that bring a new strand or gate into an origami *) + +(* ... a new strand sticking onto gates within an origami *) +let entry_reactions_sg sub_map (opts:options) (o:t) (s:strand) : (gate * strand * domain* gate * t) list = + let build_reactants (_:strand list) (gates:gate list) = List.map (fun g -> s, g) gates in + sticking_reactions_strand_gate sub_map opts o build_reactants + +(* ... a new gate sticking onto strands within an origami *) +let entry_reactions_gs sub_map (opts:options) (o:t) (g:gate) : (gate * strand * domain * gate * t) list = + let build_reactants (strands:strand list) (_:gate list) = List.map (fun s -> s, g) strands in + sticking_reactions_strand_gate sub_map opts o build_reactants + +(* ... a new strand sticking onto strands within an origami *) +let entry_reactions_ss sub_map (opts:options) (o:t) (s:strand) : (strand * strand * domain * gate * t) list = + let build_reactants (strands:strand list) (_:gate list) = List.map (fun st -> s, st) strands in + sticking_reactions_strand_strand sub_map opts o build_reactants + +(* ... a new gate sticking onto gates within an origami *) +let entry_reactions_gg sub_map (opts:options) (o:t) (g:gate) : (gate * gate * domain * gate * t) list = + let build_reactants (_:strand list) (gates:gate list) = List.map (fun gt -> g, gt) gates in + sticking_reactions_gate_gate sub_map opts o build_reactants + +(**************************************************************************************************************************************) +(** Pinning reactions on gates and strands within an origami *) + +(* Pinning reactions on strands inside of an origami *) +let pinning_reactions_s (opts:options) (o:t) : (strand * domain * gate * t) list = + let strands,gates = separate_species o in + let pin s = Gate.pin_strand (Options.getUnproductive opts) s in + let build_origami_reaction (s,(dom:domain),(gn:gate)) = + let strands = remove_strand s strands in + (s,dom,gn,construct_origami strands (gn::gates)) + in + let reactions = Lib.collect pin strands in + List.map build_origami_reaction reactions + +(* Pinning reactions on gate overhangs inside of an origami *) +let pinning_reactions_g (opts:options) (o:t) = + let strands,gates = separate_species o in + let pin g = Gate.pin_gate (Options.getUnproductive opts) g in + let build_origami_reaction (g,(dom:domain),(gn:gate)) = + let gates = remove_gate opts g gates in + (g,dom,gn,construct_origami strands (gn::gates)) + in + let reactions = Lib.collect pin gates in + List.map build_origami_reaction reactions + +(** Compute all possible leak pin migration reactions on a new gate in an origami. *) +let close_migration_reactions (opts:options) (o:t) = + let strands,gates = separate_species o in + let pin g = Gate.close_migration_reactions opts g in + let build_origami_reaction (hp:domain list, g,(doms:domain list),(gn:gate)) = + let gates = remove_gate opts g gates in + (hp, g,doms,gn,construct_origami strands (gn::gates)) + in + let reactions = Lib.collect pin gates in + List.map build_origami_reaction reactions + +(** Compute all possible leak pin displacing reactions on a new gate in an origami. *) +let is_strand_free = Strand.tethered_domains >> List.isEmpty +let is_gate_free = Gate.tethered_domains >> List.isEmpty + +let close_displacing_reactions (opts:options) (o:t) = + let strands,gates = separate_species o in + let pin g = Gate.close_displacing_reactions opts g in + let build_origami_reaction (hp:domain list, g,(doms:domain list),(gs:gate list),(ss:strand list)) = + let gates = remove_gate opts g gates in + let ss_out, ss_in = ss |> List.partition is_strand_free in + let gs_out, gs_in = gs |> List.partition is_gate_free in + (hp, g,doms,gs_out,ss_out,construct_origami (ss_in@strands) (gs_in@gates)) + in + let reactions = Lib.collect pin gates in + List.map build_origami_reaction reactions + +(** Compute all possible leak pin open reactions on a new gate in an origami. *) +let close_open_reactions (opts:options) (o:t) = + let strands,gates = separate_species o in + let pin g = Gate.close_open_reactions opts g in + let build_origami_reaction (hp:domain list, g,(doms:domain list),(gn:gate)) = + let gates = remove_gate opts g gates in + (hp, g,doms,gn,construct_origami strands (gn::gates)) + in + let reactions = Lib.collect pin gates in + List.map build_origami_reaction reactions + +(**************************************************************************************************************************************) +(** Unsticking reactions on a gate within an origami, some of which expell a gate or a strand if no constituent domains are anchored. *) + +let is_reaction_expelling (_, _, gs, ss) = + List.exists is_gate_free gs || List.exists is_strand_free ss + +(*Function for generating unsticking or displacement reactions, that don't expell *) +let separating_reactions (opts:options) (o:t) (reactions: (gate * 'dom * gate list * strand list) list) = + let build_origami_reaction (g, d:'dom, gs, ss) = + let strands,gates = separate_species o in + let gates = remove_gate opts g gates in + (g, d, gs, ss, construct_origami (ss@strands) (gs@gates)) in + reactions |> List.filter (is_reaction_expelling >> not) |> List.map build_origami_reaction + +(*Function for generating unsticking or displacement reactions, that do expell *) +let separating_reactions_expel (opts:options) (o:t) (reactions: (gate * 'dom * gate list * strand list) list) = + let build_origami_reaction (g, d:'dom, gs, ss) = + let strands,gates = separate_species o in + let gates = remove_gate opts g gates in + let ss_out, ss_in = List.partition is_strand_free ss in + let gs_out, gs_in = List.partition is_gate_free gs in + (g, d, gs, ss, construct_origami (ss_in@strands) (gs_in@gates), gs_out, ss_out) in + reactions |> List.filter is_reaction_expelling |> List.map build_origami_reaction + +(** Return all unsticking reactions possible on a given gate in an origami, without expulsion *) +let unsticking_reactions sub_map (opts:options) (g:gate) (o:t) : (gate * domain * gate list * strand list * t) list = + separating_reactions opts o (Gate.unsticking_reactions sub_map opts g) + +(** Return all unsticking reactions possible on gates in an origami, with expulsion *) +let unsticking_reactions_expel sub_map (opts:options) (g:gate) (o:t): (gate * domain * gate list * strand list * t * gate list * strand list) list = + separating_reactions_expel opts o (Gate.unsticking_reactions sub_map opts g) + +(** Return all (single) displacement reactions possible from anchored gates in an origami, without expulsion *) +let displacement_reactions (opts:options) (g:gate) (o:t): (gate * domain list * gate list * strand list * t) list = + separating_reactions opts o (Gate.displacement_reactions opts g) + +(** Return all (single) displacement reactions possible from anchored gates in an origami with expulsion **) +let displacement_reactions_expel(opts:options) (g:gate) (o:t): (gate * domain list * gate list * strand list * t * gate list * strand list) list = + separating_reactions_expel opts o (Gate.displacement_reactions opts g) + +(** Return all reactions that open a hairpin after an unbind on gates in an origami *) +let unbind_open_reactions(opts:options) (g:gate) (o:t): (gate * domain * gate list * strand list * t) list = + separating_reactions opts o (Gate.unbind_open_reactions opts g) + +(*************************************************************************************************************************************) +(* Reactions within an origami on one gate *) + +(* Function to generate interior reactions on one gate in an origami *) +let interior_reactions (opts: options) (o:t) (reactions: (gate * 'dom * gate) list) = + let strands,gates = separate_species o in + let build_origami_reaction ((g:gate),dom:'dom,gt2) = + let gates = gt2::(remove_gate opts g gates) in + (g,dom,gt2,construct_origami strands gates) + in + List.map build_origami_reaction reactions + +(** Return all migration reactions possible on anchored gates in an origami. *) +let migration_reactions (opts: options) (g:gate) (o:t) : (gate * domain list * gate * t) list = + interior_reactions opts o (Gate.migration_reactions g) + +(** Return all migration reactions that open a hairpin on gates in an origami. *) +let open_migration_reactions (opts:options) (g:gate) (o:t): (gate * domain list * gate * t) list = + interior_reactions opts o (Gate.open_migration_reactions opts g) + +(** Return all cover reactions possible on an anchored gate in an origami. *) +let cover_reactions (opts:options) (g:gate) (o:t) : (gate * domain * gate * t) list = + interior_reactions opts o (Gate.cover_reactions g) + +(***********************************************************************************************************************) +(* Functions to gather reactions *) + +(** Get all fast reactions on anchored gates in an origami (rate may be tau or infinity depending on semantics), may expel. *) +let fast_reactions sub_map (opts:options) (o:t): (gate list * strand list * t) list = + (* Consider the results equivalent up to reordering of the strand list. *) + let tau_match (gs1,ss1,os1,o1) (gs2,ss2,os2,o2) = + (Lib.is_permutation (Gate.equal opts) gs1 gs2) && (Lib.is_permutation Strand.equal ss1 ss2) && + (Lib.is_permutation (equal opts) (Lib.union (equal opts) [o1] os1) (Lib.union (equal opts) [o2] os2)) in + (* All single tau reactions possible from a gate. The strand list is to accumulate displaced strands. *) + let next_steps (o:t) (os:t list) = + let _,gates = separate_species o in + let displacements = List.map (fun (_,_,_,_,o') -> ([],[],os,o')) + (Lib.collect (fun g -> (displacement_reactions opts g o)) gates) in + let displacement_expels = + List.map (fun (_,_,_,_,o',gs,ss) -> ((List.map(Gate.standard_form opts) gs),ss,os,o')) + (Lib.collect (fun g -> (displacement_reactions_expel opts g o)) gates) in + let opens = + List.map (fun (_,_,_,o') -> [],[],os,o') + (Lib.collect (fun g -> open_migration_reactions opts g o) gates) in + let unsticks = + match (Options.getRules opts) with (* Don't include unsticking reactions as fast in the "Original" merged semantics. *) + | Options.Infinite | Options.Finite -> + List.map (fun (_,_,_,_,o') -> ([],[],os,o')) + (Lib.collect (fun g -> (unsticking_reactions sub_map opts g o)) gates) + | Options.Default -> [] + | Options.Detailed -> failwith "Origami.fast_reactions shouldn't be called in single step mode" + let unstick_expels = + match (Options.getRules opts) with (* Don't include unsticking reactions as fast in the "Original" merged semantics. *) + | Options.Infinite | Options.Finite -> + List.map (fun (_,_,_,_,o',gs,ss) -> (List.map(Gate.standard_form opts) gs,ss,os,o')) + (Lib.collect (fun g -> (unsticking_reactions_expel sub_map opts g o)) gates) + | Options.Default -> [] + | Options.Detailed -> failwith "Origami.fast_reactions shouldn't be called in single step mode" + let unstick_opens = + match (Options.getRules opts) with (* Similarly don't open in all semantics *) + | Options.Infinite | Options.Finite -> + List.map (fun (_,_,_,_,o') -> ([],[],os,o')) + (Lib.collect (fun g -> (unbind_open_reactions opts g o)) gates) + | Options.Default -> [] + | Options.Detailed -> failwith "Origami.fast_reactions shouldn't be called in single step" + let covers = + List.map + (fun (_,_,_,o') -> ([],[],os,o')) + (Lib.collect (fun g->(cover_reactions opts g o)) gates) in + + Lib.union tau_match displacements + (Lib.union tau_match displacement_expels + (Lib.union tau_match opens + (Lib.union tau_match unsticks + (Lib.union tau_match unstick_expels + (Lib.union tau_match unstick_opens covers))))) + in + (* Search the tau reaction space to compute transitive closure of tau reactions. *) + let rec search ((gs:gate list),(ss:strand list),(os:t list),o) = + let ost = standard_form opts o in + match (next_steps ost (o::os)) with + | [] -> [gs,ss,os,o] + | xs -> xs + |> List.map (fun (gs',ss',os',o') -> (gs'@gs, ss'@ss,os',o')) + |> Lib.collect_union tau_match search + in + let answer = search ([],[],[],o) in + List.map (fun (gs,ss,_,o') -> (gs,ss,o')) answer + +(** Get all "initial" reactions on anchored gates in an origami. *) +let initial_reactions sub_map (opts:options) (o:t) : (gate list * strand list * t) list = + match Options.getRules opts with + | Options.Infinite | Options.Default -> fast_reactions sub_map opts o + | _ -> [] + + +let universal_counters (cs:t) = origami_map Strand.universal_counters Gate.universal_counters cs diff --git a/ClassicDSD/ClassicDSDDotNet/origami.fsi b/ClassicDSD/ClassicDSDDotNet/origami.fsi new file mode 100644 index 0000000..ca65ad3 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/origami.fsi @@ -0,0 +1,97 @@ +module Microsoft.Research.DNA.Origami +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type value_env = Value.t_env +type options = Options.t +type domain = Domain.t +type strand = Strand.t +type gate = Gate.t + +(* The content of an origami is a tethered domain anchoring a strand or gate. + The additional domain option indicates that this domain is part of a strand or gate anchored d'. + (This avoids duplicating gates and strands.) + Only one of strand, gate, or domain will be Some *) +type tag = Domain.tag + +type content = C_strand of strand | C_gate of gate + +type t = content list + +val display : t -> string +val debug_display : t -> string +val free_names : t -> (Value.name * Value.range) list +val domains : t -> domain list +val eval : value_env -> t -> t +val inferType : Types.type_env -> t -> unit +val erasePosns : t -> t +val replacePosns : Types.range Stringmap.t -> t -> t +val matches : options -> t -> t -> bool +val matches_env : options -> Domain.match_env -> t -> t -> Domain.match_env option +val has_wildcard : t -> bool + +val origami_map : (strand -> strand) -> (gate -> gate) -> t -> t + +val standard_form : options -> t -> t +val equal : options -> t -> t -> bool + +val neighbouring_toeholds : t -> (domain*domain) option list +val exposed_nontoeholds : t -> domain list + +val is_reactive : Domain.sub_map -> options -> t -> bool +val rotate : options -> t -> t + +val origami_species : t -> gate list * strand list + +(** Sticking reactions between gates and strands within an origami, after creating a new gate or strand *) +val sticking_reactions_sg : Domain.sub_map -> options -> t -> strand -> (gate * strand * domain * gate * t) list +val sticking_reactions_gs : Domain.sub_map -> options -> t -> gate -> (gate * strand * domain * gate * t) list +val sticking_reactions_ss : Domain.sub_map -> options -> t -> strand -> (strand * strand * domain * gate * t) list +val sticking_reactions_gg : Domain.sub_map -> options -> t -> gate -> (gate * gate * domain * gate * t) list + +(** Sticking reactions that bring a new strand or gate into an origami *) +val entry_reactions_sg : Domain.sub_map -> options -> t -> strand -> (gate * strand * domain * gate * t) list +val entry_reactions_gs : Domain.sub_map -> options -> t -> gate -> (gate * strand * domain * gate * t) list +val entry_reactions_ss : Domain.sub_map -> options -> t -> strand -> (strand * strand * domain * gate * t) list +val entry_reactions_gg : Domain.sub_map -> options -> t -> gate -> (gate * gate * domain * gate * t) list + +(** Pinning reactions on gates and strands within an origami *) +val pinning_reactions_s : options -> t -> (strand * domain * gate * t) list +val pinning_reactions_g : options -> t -> (gate * domain * gate * t) list + +val close_migration_reactions : options -> t -> (domain list * gate * domain list * gate * t) list +val close_displacing_reactions : options -> t -> (domain list * gate * domain list * gate list * strand list * t) list +val close_open_reactions : options -> t -> (domain list * gate * domain list * gate * t) list + +(** Return all unsticking reactions possible on a given gate in an origami, without expulsion *) +val unsticking_reactions : Domain.sub_map -> options ->gate-> t -> (gate * domain * gate list * strand list * t) list +(** Return all unsticking reactions possible on a given gate in an origami, with expulsion *) +val unsticking_reactions_expel : Domain.sub_map -> options ->gate-> t -> (gate * domain * gate list * strand list * t * gate list * strand list) list + +(** Return all reactions that open a hairpin after an unbind on a given gate in an origami *) +val unbind_open_reactions: options ->gate-> t -> (gate * domain * gate list * strand list * t) list + +(** Right, what are the leaks going to be like in an origami and with the other stuff in the soup **) + +(** Return all (single) displacement reactions possible from a given anchored gate in an origami, without expulsion *) +val displacement_reactions : options -> gate -> t -> (gate * domain list * gate list * strand list * t) list +(** Return all (single) displacement reactions possible from a given anchored gate in an origami with expulsion **) +val displacement_reactions_expel : options -> gate -> t -> (gate * domain list * gate list * strand list * t * gate list * strand list) list + +(** Return all migration reactions possible on anchored gates in an origami. *) +val migration_reactions : options -> gate -> t -> (gate * domain list * gate * t) list + +(** Return all migration reactions that open a hairpin on gates in an origami. *) +val open_migration_reactions : options -> gate -> t -> (gate * domain list * gate * t) list + +(** Return all cover reactions possible on an anchored gate in an origami. *) +val cover_reactions : options -> gate -> t -> (gate * domain * gate * t) list + + +(** Get all combined fast reactions on anchored gates in an origami (rate may be tau or infinity depending on semantics). *) +val fast_reactions : Domain.sub_map -> options -> t -> (gate list * strand list * t) list + +(** Get all "initial" reactions on anchored gates in an origami. *) +val initial_reactions : Domain.sub_map -> options -> t -> (gate list * strand list * t) list + +val universal_counters : t -> t \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/paket.references b/ClassicDSD/ClassicDSDDotNet/paket.references new file mode 100644 index 0000000..eac8c36 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/paket.references @@ -0,0 +1,4 @@ +group NETSTANDARD + +FSharp.Core +WebSharper.Core \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/pattern.fs b/ClassicDSD/ClassicDSDDotNet/pattern.fs new file mode 100644 index 0000000..ee2c1e1 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/pattern.fs @@ -0,0 +1,74 @@ +[] +module Microsoft.Research.DNA.Pattern +open Microsoft.Research.DNA + +type value = Value.t + +type t = + | Name of string + | Pat of t list + +(* Convert parameter list into a flattened string list, to remove the tuple information for substitution *) +let rec toStringList (l:t list) = + match l with + | [] -> [] + | Name(x):: ps -> x::toStringList ps + | Pat(patlist) :: ps -> List.append (["(" + (String.concat ", " (toStringList patlist)) + ")"]) (toStringList(ps)) + +let rec expandTuples (vs : value list) (ps : t list) = + match (vs,ps) with + ([],[]) -> [] + | (Value.Tuple(vs,_)::vals, Pat(ps)::parms) -> List.append (expandTuples vs ps) (expandTuples vals parms) + | (v::vals,p::parms) -> v::expandTuples vals parms + | (_,_) -> failwith "expandTuples called incorrectly" + +let rec expandPatterns (vs : value list) (ps : t list) = + match (vs,ps) with + ([],[]) -> [] + | (Value.Tuple(vs,_)::vals, Pat(ps)::parms) -> List.append (expandPatterns vs ps) (expandPatterns vals parms) + | (v::vals,p::parms) -> v::expandTuples vals parms + | (_,_) -> failwith "expandTuples called incorrectly" + +let rec toTypes = function + | [] -> [] + | Name(x)::pats -> (ref Types.BottomT)::(toTypes pats) + | Pat(ps)::pats -> (ref (Types.TupT(toTypes ps,Types.emprange)))::(toTypes pats) + +let rec toTypeEnv ((typs: Types.t ref list),(names: t list)) = + match (names,typs) with + | [],[] -> [] + | Name(x)::pats,t::typs -> (x,t)::(toTypeEnv (typs,pats)) + | Pat(ps)::pats,t::typs -> + (match !t with Types.TupT(ts,r) -> (toTypeEnv (ts,ps))@(toTypeEnv (typs,pats)) + | _ -> failwith "Typecheck failed" ) + | _,_ -> failwith "toTypeEnv not given lists of equal length" + +let check_parameter_types (env : Types.type_env) x rng parms givens = + let rec type_check parm given = + if (Types.equal parm given) then () + else begin + match (!parm,!given) with + Types.BottomT,_ -> () + | p, Types.BottomT -> given := p + | Types.TiedT(ts,b,rs),Types.TiedT(ts',b',rs') -> begin given:=Types.TiedT(ts',b,rs'); + List.iter (fun t -> t:=!given) ts' end + | Types.TiedT(ts,Some(b),rs), g -> if (b && Types.is_numeric(g)) || (Types.is_num_or_bool g) then () + else Errors.type_error rng (Errors.WrongType(!given,[!parm]," parameters ")) + | Types.TiedT(_,None,_),Types.TiedT(_,_,_) | Types.TiedT(_,None,_),Types.IntT _ | Types.TiedT(_,None,_),Types.FloatT _ + | Types.TiedT(_,None,_),Types.BoolT _ | Types.TiedT(_,None,_),Types.StringT _ -> () + | Types.DomainT(Some(b),_),Types.DomainT(None,_) -> given:=Types.DomainT(Some(b),rng) + | Types.TupT(ps,_),Types.TupT(gs,_) -> if List.length ps = List.length gs + then List.iter2 type_check ps gs + else Errors.type_error rng (Errors.TupleArgs(x,List.length gs,List.length ps)) + | p,g -> Errors.type_error rng (Errors.WrongType(g,[p], " parameters ")) + end + in + let rec check = function + | [],[] -> () + | p::parms, g::givens -> type_check p g; check(parms,givens) + | _,_ -> failwith "length check failed" + + if (List.length parms)=(List.length givens) then + check (parms,givens) + else + Errors.type_error rng (Errors.ModuleArgs(x,(List.length givens),(List.length parms))) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/pattern.fsi b/ClassicDSD/ClassicDSDDotNet/pattern.fsi new file mode 100644 index 0000000..db6de2c --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/pattern.fsi @@ -0,0 +1,17 @@ +module Microsoft.Research.DNA.Pattern +open Microsoft.Research.DNA + +type value = Value.t + +type t = + | Name of string + | Pat of t list + +val toStringList : t list -> string list + +val toTypes : t list -> Types.t ref list +val toTypeEnv : Types.t ref list * t list -> Types.type_env + +val check_parameter_types : Types.type_env -> string -> Types.range -> Types.t ref list -> Types.t ref list -> unit + +val expandTuples : value list -> t list -> value list \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/process.fs b/ClassicDSD/ClassicDSDDotNet/process.fs new file mode 100644 index 0000000..8b2a65e --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/process.fs @@ -0,0 +1,569 @@ +[] +module Microsoft.Research.DNA.Process +open Microsoft.Research.DNA +open System.Diagnostics +open Microsoft.Research.CRNEngine +open Microsoft.Research.DNA.LogicDSD + +type EngineRate<'a,'b> = Microsoft.Research.CRNEngine.Rate<'a,'b> +(* +module Expression = Microsoft.Research.CRNEngine.Expression +type EngineRate<'a,'b> = Microsoft.Research.CRNEngine.Rate<'a,'b> + +type Key<'a> when 'a:equality = Microsoft.Research.CRNEngine.Key<'a> +module Lib = Microsoft.Research.CRNEngine.Lib +module Stringmap = Microsoft.Research.CRNEngine.Stringmap +module Hashtable = Microsoft.Research.CRNEngine.Hashtable +module Mset = Microsoft.Research.CRNEngine.Mset +*) +type value = Value.t +type value_env = Value.t_env +type domain = Domain.t +type strand = Strand.t +type gate = Gate.t +type origami = Origami.t +type species = Species.t +type species_env = Species.t_env +type parameter = Pattern.t + +type prim = Microsoft.Research.CRNEngine.Expression.t // Microsoft.Research.CRNEngine.Crn.value +type expression = Microsoft.Research.CRNEngine.Expression.t> +type sreaction = Microsoft.Research.CRNEngine.Reaction +type spatialInitial = Microsoft.Research.CRNEngine.Spatial_initial.t + +type dom_data = + | DNA of string * Types.range + | Rate of value + | Colour of string * Types.range + | Subdomains of (string list * bool) * Types.range +type dom_spec = string * dom_data +[] // displays a process in debug mode +type t = + | Repeat of value * bool * t * value option * Spatial_initial.t option (* amount, constant, p, time, spatial *) + | Strand of strand * value option + | Gate of gate * value option (* Should be deprecated for below, once at least solo reactions completed *) + //| Complex of branch * value + | Origami of t list * value option (*origami*) + | Instance of string * Types.range * value list * value option (* module name, ?, module parameters, time *) + | Parallel of t list + | New of (string * dom_spec list) * t + | Chemical of t Dsdreaction.mass_action_reaction + | LogicDsdProcess of RulesDSD.Syntax.Process * value option + member this.DisplayMe() = + let newline = "\n" + let rec displays (p:t list) = + match p with + | [] -> "" + | [p] -> p.DisplayMe() + | p::ps -> p.DisplayMe() + "\n| " + displays ps + let displayTime (t : Value.t option) = + match t with + | Some time -> " @ " + Value.to_string time + | None -> "" + match this with + | Repeat(i,b,p,t,sp) -> + match sp with + | None -> (if b then "constant " else "") + + Value.to_string i + p.DisplayMe() + + displayTime t + | Some spInitial -> p.DisplayMe () + " with {" + + (["value = " + Value.to_string i + "constant = " + if b then "true" else "false" + "spatial = " + Spatial_initial.to_string spInitial] + |> String.concat "; ") + + match t with Some time -> "; time = " + Value.to_string time | None -> "" + + "}" + | Strand(s,t) -> Strand.display s + displayTime t + | Gate(g,t) -> Gate.display g + displayTime t + | Origami(o,t) -> (o |> Lib.string_of_list (fun x -> x.DisplayMe()) "|" |> Lib.brack) + displayTime t + | Instance(x,_,vs,t) -> + match t with + | Some time -> x + Value.to_strings vs + " @ " + Value.to_string time + | None -> x + Value.to_strings vs + | Parallel([]) -> "()" + | Parallel(ps) -> newline + "( " + displays ps + newline + ")" + | New((n,specs),p) -> + let display_spec s = + match s with + | (n, Rate v) -> n + " = " + Value.to_string v + | (n, DNA (s,_)) -> n + " = " + s + | (n, Colour (c,_)) -> n + " = \"" + c + "\"" + | (n, Subdomains ((ds,false),_)) -> n + " = \"(" + Lib.string_of_list Lib.id "," ds + ")\"" + | (n, Subdomains ((ds,true),_)) -> n + " = \"^(" + Lib.string_of_list Lib.id "," ds + ")\"" in + let rec display_specs slist = + match slist with + | [] -> "" + | [s] -> display_spec s + | s::specs -> (display_spec s) + (display_specs specs) in + newline + "new " + n + (match specs with [] -> "" | specs -> "{" + (display_specs specs) + "}") + + newline + p.DisplayMe() + | Chemical mar -> + let catalysts_str = Mset.to_string (fun (x:t) -> x.DisplayMe()) " + " mar.ma_catalysts in + let reactants_str = Mset.to_string (fun (x:t) -> x.DisplayMe())" + " mar.ma_reactants in + let products_str = Mset.to_string (fun (x:t) -> x.DisplayMe()) " + " mar.ma_products in + let rate_to_string = function + | Dsdreaction.Crn_ma v -> "{" + Expression.to_string id v + "}" + | Dsdreaction.Crn_func e -> "{" + Expression.to_string (Key.to_string (fun (x:t) -> x.DisplayMe())) e + "}" in + let rate_str = match mar.ma_reverseRate with + | None -> "->" + rate_to_string mar.ma_rate + "}" + | Some r -> "<->" + rate_to_string mar.ma_rate + rate_to_string r in + catalysts_str + " ~ " + reactants_str + rate_str + products_str + | LogicDsdProcess (p, t) -> sprintf "[%s] @ %s" (RulesDSD.Syntax.Process.ToStringWith Microsoft.Research.DNA.LogicDSD.engine p) (displayTime t) + +type t_bind = + Def of string * parameter list * (value list -> bool) * t +type t_env = t_bind list + +type sim_species = species * float * bool + +(* Function to map over the rates in a spec list *) +let dom_spec_map f (specs: dom_spec list) = + List.map (fun s -> match s with (n,Rate(v)) -> (n,Rate(f v)) | s->s) specs + +(* Erase the position information from a process (i.e. set them all to "empty") .*) +let rec erasePosns = function +| Repeat(i,b,p,t,sp) -> Repeat(i,b,(erasePosns p),t,sp) +| Strand (s,t) -> Strand(Strand.erasePosns s,t) +| Gate (g,t) -> Gate(Gate.erasePosns g,t) +//| Complex (c,t) -> Complex(Branch.erasePosns c,t) +| Origami (o,t) -> (o |> List.map erasePosns, t) |> Origami +| Instance(x,_,vs,t) -> Instance(x,Types.emprange,(List.map Value.erasePosns vs),t) +| Parallel ps -> Parallel(List.map erasePosns ps) +| New((n,specs),p) -> New((n, + (List.map (fun s -> + match s with + | (n,Rate(v)) -> (n,Rate(Value.erasePosns v)) + | (n,DNA(s,_)) -> (n,DNA(s,Types.emprange)) + | (n, Colour (c,_)) -> (n, Colour (c,Types.emprange)) + | (n, Subdomains (ds,_)) -> (n, Subdomains (ds,Types.emprange))) + specs)), + (erasePosns p)) +| Chemical mar -> Chemical (Dsdreaction.map_mass_action_reaction erasePosns mar) +| LogicDsdProcess (p,t) -> LogicDsdProcess (p, t) + +(* Replace the position info of certain variables with the supplied information. + * This allows us to track positions correctly across module instantiations. *) +let rec replacePosns (mrs:Types.range Stringmap.t) = function + | Repeat(i,b,p,t,sp) -> Repeat((Value.replacePosns mrs i),b,(replacePosns mrs p),t,sp) + | Strand(s,t) -> Strand( Strand.replacePosns mrs s,t) + | Gate(g,t) -> Gate(Gate.replacePosns mrs g,t) + // | Complex(c,t) -> Complex(Branch.replacePosns mrs c,t) + | Origami(o,t) -> (o |> List.map (replacePosns mrs),t) |> Origami + | Parallel(ps) -> Parallel(List.map (replacePosns mrs) ps) + | New((s,specs),p) -> + let specs = (List.map (fun s -> + match s with + | (n,Rate(v)) -> (n,Rate(Value.replacePosns mrs v)) + | (n,DNA(s,p)) -> (n,DNA(s,p)) + | (n, Colour (c,p)) -> (n, Colour (c,p)) + | (n, Subdomains (ds,p)) -> (n, Subdomains (ds,p))) + specs) + match (Stringmap.tryFind s mrs) with + | Some _ -> let mrs = Stringmap.remove s mrs + New((s,specs),(replacePosns mrs p)) + | None -> New((s,specs),(replacePosns mrs p)) + + | Instance(x,rng,vs,t) -> + let vs = List.map (Value.replacePosns mrs) vs in + begin match (Stringmap.tryFind x mrs) with + Some rng -> Instance(x,rng,vs,t) + | None -> Instance(x,rng,vs,t) end + | Chemical mar -> Chemical (Dsdreaction.map_mass_action_reaction (replacePosns mrs) mar) + | LogicDsdProcess (p,t) -> LogicDsdProcess (p,t) + +(** Produce a string representation of a process (or list of processes). *) +let rec display (p:t) = + let newline = "\n"//Lib.newline in + let displayTime (t : Value.t option) = + match t with + | Some time -> " @ " + Value.to_string time + | None -> "" + match p with + | Repeat(i,b,p,t,sp) -> + match sp with + | None -> (if b then "constant " else "") + Value.to_string i + " * " + display p + displayTime t + | Some spInitial -> + display p + " with {" + + ( + [ "value = " + Value.to_string i + "constant = " + if b then "true" else "false" + "spatial = " + Spatial_initial.to_string spInitial ] + |> String.concat "; ") + + match t with Some time -> "; time = " + Value.to_string time | None -> "" + + "}" + + | Strand(s,t) -> Strand.display s + displayTime t + | Gate(g,t) -> Gate.display g + displayTime t + | LogicDsdProcess (p,t) -> sprintf "[%s] %s" (RulesDSD.Syntax.Process.ToStringWith Microsoft.Research.DNA.LogicDSD.engine p) (displayTime t) + // | Complex(b,t) -> Branch.display b + " @ " + Value.to_string t + | Origami(o,t) -> "[[ " + String.concat " | " (List.map display o) + "]]" + displayTime t + | Instance(x,_,vs,t) -> x + Value.to_strings vs + displayTime t + | Parallel([]) -> "()" + | Parallel(ps) -> "( " + displays ps + ")" + | New((n,specs),p) -> + let display_spec s = + match s with + | (n, Rate v) -> n + " = " + Value.to_string v + | (n, DNA (s,_)) -> n + " = " + s + | (n, Colour (c,_)) -> n + " = \"" + c + "\"" + | (n, Subdomains ((ds,false),_)) -> n + " = \"(" + Lib.string_of_list Lib.id "," ds + ")\"" + | (n, Subdomains ((ds,true),_)) -> n + " = \"^(" + Lib.string_of_list Lib.id "," ds + ")\"" in + let rec display_specs slist = + match slist with + | [] -> "" + | [s] -> display_spec s + | [("bind", Rate b);("unbind", Rate u)] + | [("unbind", Rate u);("bind", Rate b)] -> " @ " + Value.to_string b + ", " + Value.to_string u + | _ -> "{" + String.concat "; " (List.map display_spec slist) + "}" + "new " + n + (match specs with [] -> "" | specs -> display_specs specs) + + newline + display p + | Chemical mar -> + let catalysts_str = if mar.ma_catalysts.IsEmpty + then "" + else Mset.to_string display " + " mar.ma_catalysts + " ~ " in + let reactants_str = Mset.to_string display " + " mar.ma_reactants in + let products_str = Mset.to_string display " + " mar.ma_products in + let rate_to_string = function + | Dsdreaction.Crn_ma v -> "{" + Expression.to_string id v + "}" + | Dsdreaction.Crn_func e -> "[" + Expression.to_string (Key.to_string display) e + "]" in + let rate_str = match mar.ma_reverseRate with + | None -> " ->" + rate_to_string mar.ma_rate// + "}" + | Some r -> " <->" + rate_to_string mar.ma_rate + rate_to_string r in + "rxn " + catalysts_str + reactants_str + rate_str + " " + products_str +and displays (p:t list) = + match p with + | [] -> "" + | [p] -> display p + | p::ps -> display p + "\n| " + displays ps + +(* Add value/parameter bindings to the value environment for eval *) +let rec extend_env ms vs ev = + match (ms,vs) with + | ([],[]) -> ev + | (Pattern.Name(x)::ms,v::vs) -> Value.Val(x,v)::(extend_env ms vs ev) + | (Pattern.Pat(ps)::ms,Value.Tuple(ts,_)::vs) -> (extend_env ps ts (extend_env ms vs ev)) + | (Pattern.Pat(_)::_,_::_) -> failwith "Pattern parameter not given tuple" + | ([],_::_) -> failwith "More values than parameters given to a module instance" + | (_::_,[]) -> failwith "More parameters than values given to a module instance" + +(** Find a module in the environment *) +let rec lookup (x:string) (e:t_env) = + match e with + | [] -> None + | Def(x',ms,monitored,p)::e -> if (x=x') then Some(Def(x',ms,monitored,p)) else lookup x e + +(* Generate a domain from a system*) +(* Assumes type system has checked that bind and unbind are floats *) +let eval_system (opts:Options.t) n c specs = + let r = match (Lib.try_assoc "bind" specs) with + | Some (Rate v) -> Value.to_engineValue v + | _ -> Expression.Float (Options.get_toehold_bind_rate opts) in + let v = match (Lib.try_assoc "unbind" specs) with + | Some (Rate v) -> Value.to_engineValue v + | _ -> Expression.Float (Options.get_toehold_unbind_rate opts) in + let d = match (Lib.try_assoc "seq" specs) with Some (DNA(s,_)) -> Some s | _ -> None in + match d with + Some s -> Value.DomainS(n,c,s,r,v,Types.emprange) + | None -> Value.Domain(n,c,r,v,Types.emprange) + +(** Evaluate all values within a process and modules *) +let rec eval (e:t_env) (ev:value_env) (p:t) = + let eval_option env = Option.map (Value.eval env) + match p with + | Repeat(i,b,p,t,sp) -> Repeat(Value.eval ev i,b,eval e ev p,eval_option ev t, sp) + | Strand(s,t) -> Strand(Strand.eval ev s,eval_option ev t) + | Gate(g,t) -> Gate(Gate.eval ev g,eval_option ev t) + // | Complex(b,t) -> Complex(Branch.eval ev b,Value.eval ev t) + | Origami(o,t) -> (o |> List.map (eval e ev),eval_option ev t) |> Origami + | Parallel(ps) -> Parallel(List.map (eval e ev) ps) + | New((n,specs),p) -> + let eval_specs = dom_spec_map (Value.eval ev) specs + let domain = Value.Variable(n,Types.emprange) + let p'= eval e (Value.Sys(n,domain)::ev) p + New((n,eval_specs),p') + | Instance(x,rng,vs,t) -> + let vs = List.map (Value.eval ev) vs + let proc = lookup x e + match proc with + | Some(Def(_,ms,_,p)) -> eval e (extend_env ms vs ev) p + | None -> Instance(x,rng,vs,eval_option ev t) + | Chemical mar -> Chemical (Dsdreaction.map_mass_action_reaction (eval e ev) mar) + | LogicDsdProcess (p, t) -> LogicDsdProcess (p, eval_option ev t) + +(** Compute the free names of a process .*) +let rec free_names (p:t) = + let free_names_option topt = match topt with Some t -> Value.free_names t | None -> [] + match p with + | Repeat(i,_,p,t,_) -> (Value.free_names i) @ (free_names p) @ (free_names_option t) + | Strand(s,t) -> Strand.free_names s @ (free_names_option t) + | Gate(g,t) -> Gate.free_names g @ (free_names_option t) + // | Complex(b,t) -> Branch.free_names b @ (Value.free_names t) + | Origami(o,t) -> (o |> List.collect free_names) @ (free_names_option t) + | Parallel(ps) -> List.collect free_names ps + | New((s,specs),p) -> (List.collect (fun s -> match s with (_,Rate v) -> (Value.free_names v) | _ -> []) specs) @ + (List.filter (fun (n,_) -> n<>s) (free_names p)) + | Instance(_,_,vs,t) -> List.append (free_names_option t) (List.collect Value.free_names vs) + | Chemical mar -> List.concat ((Mset.collect free_names mar.ma_reactants) @ (Mset.collect free_names mar.ma_products) @ (Mset.collect free_names mar.ma_catalysts)) + | LogicDsdProcess (p, v) -> + p + |> RulesDSD.Syntax.Process.ToList + |> List.collect (List.map (fun x -> + match x with + | Microsoft.Research.DNA.LogicDSD.Site (Microsoft.Research.DNA.LogicDSD.Bound (Microsoft.Research.DNA.LogicDSD.Dom d, _)) + | Microsoft.Research.DNA.LogicDSD.Site (Microsoft.Research.DNA.LogicDSD.Unbound (Microsoft.Research.DNA.LogicDSD.Dom d)) -> d.name, None + | _ -> failwith "Unexpected uninstantiated Logic DSD process.")) + |> List.distinct + +(** Parameterized definition of a function to check the specifications in a system + Parameterized to avoid duplicating code between the two ways of type checking values **) +let system_checker check_val n specs fresh _ = + let spec_ok = function + | (("seq",DNA(_,r)),(Some _,_,_,_,_)) -> Errors.type_error r (Errors.RepeatedSpec (n,"seq")) + | (("seq",DNA(s,r)),(None,b,u,c,ds)) -> if not fresh then (Some(DNA(s,r)),b,u,c,ds) else Errors.type_error r (Errors.NoSeq n) + | (("bind",Rate(v)),(_,Some _,_,_,_)) -> Errors.type_error (Value.get_range v) (Errors.RepeatedSpec (n,"bind")) + | (("bind",Rate(v)),(s,None,u,c,ds)) -> if check_val v "binding rate" then (s,Some(v),u,c,ds) else failwith "" + | (("unbind",Rate(v)),(_,_,Some _,_,_)) -> Errors.type_error (Value.get_range v) (Errors.RepeatedSpec (n,"bind")) + | (("unbind",Rate(v)),(s,b,None,c,ds)) -> if check_val v "unbinding rate" then (s,b,Some(v),c,ds) else failwith "" + | (("colour", Colour (_, r)), (_,_,_,Some _,_)) -> Errors.type_error r (Errors.RepeatedSpec (n,"colour")) + | (("colour", Colour (c, _)), (s,b,u,None,ds)) -> (s, b, u, Some c,ds) + | (("subdomains", Subdomains (_, r)), (_,_,_,_,Some _)) -> Errors.type_error r (Errors.RepeatedSpec (n,"subdomains")) + | (("subdomains", Subdomains (ds, _)), (s,b,u,c, None)) -> (s, b, u, c, Some ds) + | ((d,_),_) -> Errors.type_error Types.emprange (Errors.UnknownSpec (n,d)) in + let rec extract = function + | [] -> (None,None,None,None,None) + | s::specs -> spec_ok (s, extract specs) in + extract specs + +(* Check that a system is using proper specifications, while potentially updating the env *) +let type_check_system n specs fresh env = + let check_val v desc = + let t = Value.inferType env v in + match !t with + | Types.FloatT _ -> true + | Types.BottomT -> begin t:= (Types.FloatT (Value.get_range v)); true end + | Types.TiedT(ts,_,_) -> let nt = Types.FloatT(Value.get_range v) in + begin List.iter (fun t -> t:= nt) ts; t:= nt; true end + | t -> Errors.type_error (Value.get_range v) (Errors.WrongType(t,[Types.FloatT Types.emprange],desc)) + in ignore ((system_checker check_val) n specs fresh env ) + +(** Infer types in a process, with checking instance calls at call site *) +let inferTypes in_origami (env:Types.type_env) (p:t) = + let infer_time e v = + match v with + | Some v' -> + let t = Value.inferType e v' in + match !t with + | Types.IntT _ | Types.FloatT _ | Types.BottomT -> () + | t -> let descr = "time of a species" in + Errors.type_error (Value.get_range v') (Errors.WrongType(t,[(Types.IntT Types.emprange); (Types.FloatT Types.emprange)],descr)) + | None -> () + + let rec infer in_origami (env:Types.type_env) = function + | Repeat(i,_,p,_,_) -> + let t = Value.inferType env i in + match !t with + | Types.IntT _ + | Types.FloatT _ + | Types.TiedT(_,Some(true),_) -> + infer in_origami env p + | Types.BottomT -> + t := Types.TiedT([],Some(true),[Value.get_range(i)]) + infer in_origami env p + | Types.TiedT(ts,_,_) -> + let nt = Types.TiedT(ts,Some(true),[Value.get_range(i)]) + List.iter (fun t -> t:= nt) ts + t := nt + infer in_origami env p + | t -> + let descr = "population of a species" + Errors.type_error (Value.get_range i) (Errors.WrongType(t,[(Types.IntT Types.emprange);(Types.FloatT Types.emprange)],descr)) + + | Strand(s,t) -> Strand.inferType in_origami env s; infer_time env t + | Gate(g,t) -> Gate.inferType in_origami env g; infer_time env t + // | Complex(b,t) -> Branch.inferType env b; infer_time env t + | Origami(o,t) -> o |> List.iter (infer (Some true) env); infer_time env t + | Parallel(ps) -> List.iter (infer in_origami env) ps + | New((s,specs),p) -> + type_check_system s specs false env |> ignore + infer in_origami ((s,(ref (Types.BottomT)))::env) p + | Instance(x,rng,vs,t) -> + let mod_t = Value.inferType env (Value.Variable(x,rng)) in + let ts = List.map (Value.inferType env) vs in + begin match !mod_t with + | Types.ModuleT(p_types) -> Pattern.check_parameter_types env x rng p_types ts + | t -> let descr = "module name " + x in + Errors.type_error rng (Errors.WrongType(t,[Types.ModuleT ts],descr)) + end; + infer_time env t + | Chemical mar -> + let i ss = Mset.iter (infer in_origami env) ss in + i mar.ma_reactants; i mar.ma_products; i mar.ma_catalysts + | LogicDsdProcess _ -> () + in + infer in_origami env p + + +(** Evaluate a process to a list of species *) +let eval_to_species (opts:Options.t) (names:string list, counter:int) (mod_env:t_env) (env:value_env) (p:t) = + let mt = Species.empty_env 0 + let t_default = None + + let rec eval fresh_names env p population constant species_acc reactions_acc monitored m_name t_init spatial = + + let single t st = + let time = + match t_init with + | Some ti -> ti |> Value.eval env |> Value.to_engineValue |> Some + | None -> Option.map (Value.eval env >> Value.to_engineValue) t + let add_env m_name e = Species.add_env opts m_name (st,population,constant,monitored,time,spatial) e + (fresh_names, add_env m_name species_acc, reactions_acc) + + let fix s = + let ss = Hashtable.empty () in + let add ((x, _, _, _,_,_): Species.t_map) = Hashtable.add ss x () in + Stringmap.iter (fun _ sps -> List.iter add sps) (fst species_acc); + let r = Species.rotate opts s in + match Hashtable.tryFind ss r with + | None -> s + | Some () -> r + + match p with + | Repeat(i,b,p,t,sp) -> + let pval = Value.eval env i in (* Needed to evalue parameters to process definitions *) + let repeat_pop = Value.to_engineValue pval in +(* match pval with + | Value.Int(i,_) -> Expression.Float (float_of_int i) + | Value.Float(f,_) -> Expression.Float f + | Value.Variable (v, _) -> Expression.Variable v + | _ -> failwith "typecheck failed" in *) + (* --- NB! This disables repeats of restricted species (which should not happen) --- + --- TODO: Update Process.t to refelct this --- + *) + let constant_n = constant || b in + eval fresh_names env p (Expression.mul population repeat_pop) constant_n species_acc reactions_acc monitored m_name t sp + | Strand(s,t) -> + let st = Species.STRAND (Strand.standard_form (Strand.eval env s)) |> fix in + single t st + | Gate(g,t) -> + let gt = Species.GATE (Gate.standard_form opts (Gate.eval env g)) in + single t gt + | LogicDsdProcess(p, t) -> + let p' = Species.LogicDsdProcess p in + single t p' +(* + | Complex(b,t) -> let bt = Species.COMPLEX (Branch.standard_form opts (Branch.eval env b)) in + single t bt +*) + | Origami(o,t) -> + let (_,(s_env,_),_) = Lib.fold_left (fun (fresh_names,species_acc,reactions_acc) p -> + (eval fresh_names env p population constant species_acc reactions_acc monitored m_name t_default spatial)) (fresh_names,mt,[]) o in + let m = (Stringmap.fold (fun l _ sps -> sps@l) [] s_env) in + let to_content = function + | Species.STRAND s -> Origami.C_strand s + | Species.GATE g -> Origami.C_gate g + | _ -> failwith "Invalid origami content" in + let content = m |> List.map (fun (s,_,_,_,_,_) -> s |> to_content) in + content |> Origami.standard_form opts + |> Species.ORIGAMI + |> single t + + | Parallel(ps) -> + Lib.fold_left (fun (fresh_names,species_acc,reactions_acc) p -> + (eval fresh_names env p population constant species_acc reactions_acc monitored m_name t_init spatial) + ) (fresh_names,species_acc,reactions_acc) ps + | New((n,specs),p) -> + let eval_specs = dom_spec_map (Value.eval env) specs in + let (names,counter) = fresh_names in + let (names,counter,c) = if List.contains n names then (names,counter+1,counter+1) else ((n::names),counter,0) in + let domain = eval_system opts n c eval_specs in + eval (names,counter) (Value.Sys(n,domain)::env) p population constant species_acc reactions_acc monitored m_name t_init spatial + + | Instance(x,rng,vs,t) -> + let rec find_proc name rng vs env monitored = + let vs = List.map (Value.eval env) vs in + let proc = lookup name mod_env in + match proc with + | Some(Def(_,ms,monitor_check,Instance(y,rng,yvs,_))) -> (* def A(x) = B(x,1-x) should result in A(3) being named A rather than B *) + let monitor = monitor_check vs in + find_proc y rng yvs (extend_env ms vs env) (monitor || monitored) + | Some(Def(_,ms,monitor_check,p)) -> + let monitor = monitor_check vs in + p, (extend_env ms vs env), monitor || monitored + | None -> Errors.type_error rng (Errors.UnknownModule (x, Value.to_strings vs)) in + let p, env, monitored = find_proc x rng vs env monitored in + eval fresh_names env p population constant species_acc reactions_acc monitored x t spatial +(* + let vs = List.map (Value.eval env) vs in + let proc = lookup x mod_env in + match proc with + | Some(Def(x,ms,monitor_check,p)) -> + let monitor = monitor_check vs in + eval fresh_names (extend_env ms vs env) p population constant species_acc reactions_acc (monitor || monitored) x + | None -> Errors.type_error rng (Errors.UnknownModule (x, Value.to_strings vs)) +*) + + | Chemical mar -> + let eval_single s = + let (_, (m, _), _) = eval fresh_names env s population constant mt [] monitored m_name t_init spatial in + List.map (fun (x, _, _, _,_,_) -> fix (Species.standard_form opts x)) (Stringmap.fold (fun l _ x -> x@l) [] m) in + let convert_mset m = + let eq = Species.equal opts in + let lm = Mset.map eval_single m in + Mset.fold_left_m (fun acc {Mset.element = l; Mset.multiplicity = n} -> Lib.fold_left (Mset.add eq) acc (List.map (fun x ->{Mset.element = x; Mset.multiplicity = n}) l)) Mset.empty lm in + let rec convert_rate = function + | Expression.Key s -> + begin + let is_s = function + | Value.Val (n,_) -> n = s + | _ -> false in + match List.tryFind is_s env with + | None -> Expression.Key s + | Some (Value.Val (_, v)) -> Value.to_engineValue v + | Some _ -> Expression.Key s + end + | Expression.Plus fs -> fs |> List.map convert_rate |> Expression.Plus + | Expression.Minus {sub1 = f1; sub2 = f2} -> Expression.sub (convert_rate f1) (convert_rate f2) + | Expression.Times fs -> fs |> List.map convert_rate |> Expression.Times + | Expression.Divide {div1 = f1; div2 = f2} -> Expression.div (convert_rate f1) (convert_rate f2) + //| Expression.Floor f -> Expression.norm_floor (convert_rate f) + | Expression.Power {base_ = f1; exponent = f2} -> Expression.power (convert_rate f1) (convert_rate f2) + | Expression.Ceiling c -> Expression.Ceiling (convert_rate c) + | Expression.Floor c -> Expression.Floor (convert_rate c) + | v -> v in + let convert_rate = function + | Dsdreaction.Crn_ma v -> convert_rate v |> EngineRate.MassAction + | Dsdreaction.Crn_func e -> + let f = function + | Key.Species s -> s |> eval_single |> List.map (Key.Species >> Expression.Key) |> Expression.Plus + | Key.Parameter p -> Expression.Key (Key.Parameter p) + | Key.Time -> Expression.Key Key.Time + | Key.Rate r -> Expression.Key (Key.Rate r) + in + //let ft s v = s |> eval_single |> List.map (fun x -> Expression.TimedPopAExp (x, v)) |> Expression.SumAExp in + let se = Expression.expand f e in + EngineRate.Function (se) in (* RLP: handle variables for this case also. Blocked by DSD syntax for lower strands. *) + let reaction = + Reaction.create( + convert_mset mar.ma_catalysts, + convert_mset mar.ma_reactants, + Lib.option_map2 convert_rate mar.ma_reverseRate, + convert_rate mar.ma_rate, + convert_mset mar.ma_products + ) + (fresh_names, species_acc, reaction::reactions_acc) (* this adds no species *) + + eval (names,counter) env p (Expression.Float 1.0) false mt [] false "%" t_default None + +let zero = Value.Float (0.0, Types.emprange) + +let from_content = function + | Origami.C_gate g -> Gate (g, None) + | Origami.C_strand s -> Strand (s, None) +let from_species t = function + | Species.GATE g -> Gate (g, t) + | Species.STRAND s -> Strand (s, t) + //| Species.COMPLEX c -> Complex (c, t) + | Species.ORIGAMI o -> (o |> List.map from_content, t) |> Origami + | Species.UNKNOWN u -> failwith ("Unknown species " + u + " cannot be converted to process") + | Species.LogicDsdProcess p -> LogicDsdProcess (p,t) +(******************************************************************************) diff --git a/ClassicDSD/ClassicDSDDotNet/process.fsi b/ClassicDSD/ClassicDSDDotNet/process.fsi new file mode 100644 index 0000000..28062b8 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/process.fsi @@ -0,0 +1,66 @@ +module Microsoft.Research.DNA.Process +open Microsoft.Research.DNA + +module Stringmap = Microsoft.Research.CRNEngine.Stringmap + +type value = Value.t +type value_env = Value.t_env +type domain = Domain.t +type strand = Strand.t +type gate = Gate.t +type origami = Origami.t +type species = Species.t +type species_env = Species.t_env +type parameter = Pattern.t + +type prim = Microsoft.Research.CRNEngine.Expression.t // Microsoft.Research.CRNEngine.Crn.value +type expression = Microsoft.Research.CRNEngine.Expression.t> +type sreaction = Microsoft.Research.CRNEngine.Reaction +type spatialInitial = Microsoft.Research.CRNEngine.Spatial_initial.t + +type dom_data = + | DNA of string * Types.range + | Rate of value + | Colour of string * Types.range + | Subdomains of (string list * bool) * Types.range +type dom_spec = string * dom_data +type t = + | Repeat of value * bool * t * value option * spatialInitial option(* amount, constant, p, time *) + | Strand of strand * value option + | Gate of gate * value option (* Should be deprecated for below, once at least solo reactions completed *) + //| Complex of branch * value + | Origami of t list * value option (*origami*) + | Instance of string * Types.range * value list * value option (* module name, ?, module parameters, time *) + | Parallel of t list + | New of (string * dom_spec list) * t + | Chemical of t Dsdreaction.mass_action_reaction + | LogicDsdProcess of RulesDSD.Syntax.Process * value option + +type t_bind = Def of string * parameter list * (value list -> bool) * t +type t_env = t_bind list + +type sim_species = species * float * bool + +val dom_spec_map : (value -> value) -> dom_spec list -> dom_spec list + +val erasePosns : t -> t +val replacePosns : Types.range Stringmap.t -> t -> t + +(* Evaluate the process or system to another process or value *) +val eval_system : Options.t -> string -> int -> dom_spec list -> value +val eval : t_env -> value_env -> t -> t + +val free_names : t -> (Value.name * Value.range) list + +(* Type checking *) +val type_check_system : string -> dom_spec list -> bool -> Types.type_env -> unit +val inferTypes : bool option -> Types.type_env -> t -> unit + +val display : t -> string + +(* Actually evaluate the process to a set of species *) +val eval_to_species : Options.t -> (string list * int) -> t_env -> value_env -> t -> (string list * int) * species_env * sreaction list + +val from_species : Value.t option -> Species.t -> t + +(******************************************************************************) diff --git a/ClassicDSD/ClassicDSDDotNet/segment.fs b/ClassicDSD/ClassicDSDDotNet/segment.fs new file mode 100644 index 0000000..4fc9a6b --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/segment.fs @@ -0,0 +1,856 @@ +[] +module Microsoft.Research.DNA.Segment +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine +open System.Diagnostics + +(* A segment can be a lower toehold strand or a double-strand *) +type value = Value.t +type value_env = Value.t_env +type domain = Domain.t +type strand = Strand.t + +(* A segment is either a double strand with overhangs, written {LB}[S]{RB}, + or a double strand with some overhangs and a hairpin, written {OB}[S] + *) +type side = Left | Right +[] // displays a segment in debug mode +type t = + | Double of (domain list * domain list * domain list * domain list * domain list) + | Hairpin of (domain list * domain list * domain list * domain list * side) + member this.DisplayMe() = + let overhang (upper:bool) (s:domain list) = + let start,stop = if upper + then "<",">" + else "{","}" + (if List.isEmpty s then "" else start + Domain.display_sequence s + stop) + match this with + | Double(lb,lt,s,rt,rb) -> + (* {LB}[S]{RB} *) + (overhang false lb) + (overhang true lt) + "[" + Domain.display_sequence s + "]" + (overhang true rt) + (overhang false rb) + | Hairpin(ob,ot,s,hp,Right) -> + (* if {OB}[S]{HP> *) + let hp_s = "{" + Domain.display_sequence hp + ">" in + (overhang false ob) + (overhang true ot) + "[" + Domain.display_sequence s + "]" + hp_s + | Hairpin(ob,ot,s,hp,Left) -> + (* if {OB} *) + let hp_s = "<" + (Domain.display_sequence hp) + "}" in + hp_s + "[" + Domain.display_sequence s + "]" + (overhang true ot) + (overhang false ob) + +(* Access the various domain lists for a given segment. *) +(* For hairpins, overhangs that aren't present return nil *) +let bottom_left_overhang = function + Double(lb,_,_,_,_) -> lb + | Hairpin(ob,_,_,_,Left) -> ob + | Hairpin(_,_,_,_,Right) -> [] +let top_left_overhang = function + Double(_,lt,_,_,_) -> lt + | Hairpin(_,ot,_,_,Left) -> ot + | Hairpin(_,_,_,_,Right) -> [] +let double_stranded_region = function + Double(_,_,s,_,_) | Hairpin(_,_,s,_,_) -> s +let top_right_overhang = function + Double(_,_,_,rt,_) -> rt + | Hairpin(_,ot,_,_,Right) -> ot + | Hairpin(_,_,_,_,Left) -> [] +let bottom_right_overhang = function + Double(_,_,_,_,rb) -> rb + | Hairpin(ob,_,_,_,Right) -> ob + | Hairpin(_,_,_,_,Left) -> [] +let hairpin_region = function + Double _ -> [] + | Hairpin(_,_,_,hp,_) -> hp + +(* Produce a string representation. *) +let display seg = + let overhang (upper:bool) (s:domain list) = + let start,stop = if upper then "<",">" else "{","}" in + (if List.isEmpty s then "" else start + Domain.display_sequence s + stop) + in + match seg with + | Double(lb,lt,s,rt,rb) -> + (* {LB}[S]{RB} *) + (overhang false lb) + (overhang true lt) + "[" + Domain.display_sequence s + "]" + (overhang true rt) + (overhang false rb) + | Hairpin(ob,ot,s,hp,Right) -> + (* if {OB}[S]{HP> *) + let hp_s = "{" + Domain.display_sequence hp + ">" in + (overhang false ob) + (overhang true ot) + "[" + Domain.display_sequence s + "]" + hp_s + | Hairpin(ob,ot,s,hp,Left) -> + (* if {OB} *) + let hp_s = "<" + (Domain.display_sequence hp) + "}" in + hp_s + "[" + Domain.display_sequence s + "]" + (overhang true ot) + (overhang false ob) + +let gotten_tag_sets get = function + | Double(lb,lt,_,rt,rb) -> get (lb@lt), get (rb@rt) + | Hairpin(ob,ot,_,_,sd) -> + let a, b = Domain.all_tags_list (ob@ot), None in + match sd with + | Right -> a, b + | Left -> b, a + +let tag_sets d = gotten_tag_sets Domain.all_tags_list d + +let tethered_tag_sets d = gotten_tag_sets Domain.all_tethered_tags_list d + +let set_tags c ts = + let set = Domain.set_tags_list ts in + match c with + | Double(lb,lt,s,rt,rb) -> Double(set lb, set lt, set s, set rt, set rb) + | Hairpin(ob,ot,s,hp,sd) -> Hairpin(set ob, set ot, set s, set hp, sd) + +let add_tags c ts = + let add = Domain.add_tags_list ts in + match c with + | Double(lb,lt,s,rt,rb) -> Double(add lb, add lt, add s, add rt, add rb) + | Hairpin(ob,ot,s,hp,sd) -> Hairpin(add ob, add ot, add s, add hp, sd) + +(* Evaluate the values contained in a segment *) +let eval (ev:value_env) = function + Double(lb,lt,s,rt,rb) -> + let evalS = fun ds -> Domain.eval_sequence ev ds in + Double(evalS lb, evalS lt, evalS s, evalS rt, evalS rb) + | Hairpin(ob,ot,s,hp,sd) -> + let evalS = fun ds -> Domain.eval_sequence ev ds in + Hairpin( evalS ob, evalS ot, evalS s, evalS hp, sd) + +(* Mirror a segment. *) +(* mirror <1 2 3>[4 5 6]{7 8 9} = {1 2 3}[4* 5* 6*]<7 8 9> *) +(* mirror <1 2 3>[4 5 6]{7 8 9> = {1 2 3}[4* 5* 6*]{9 8 7> *) +(* mirror <1 2 3}[4 5 6]{7 8 9} = <3 2 1}[4* 5* 6*]<7 8 9> *) +let mirror = function + Double(lb,lt,s,rt,rb) -> + Double(lt, lb, List.map Domain.complement s, rb, rt) + | Hairpin(ob,ot,s,hp,sd) -> Hairpin(ot, ob, List.map Domain.complement s,List.rev hp, sd) + +(* reverse <1 2 3>[4 5 6]<7 8 9> = <9 8 7>[6 5 4]<3 2 1> *) +(* reverse <1 2 3>[4 5 6]{7 8 9> = <9 8 7}[6 5 4]<3 2 1> *) +let reverse = function + Double(lb,lt,s,rt,rb) -> Double(List.rev rb, List.rev rt, List.rev s, List.rev lt, List.rev lb) + | Hairpin(ob,ot,s,hp,Left) -> Hairpin(List.rev ob, List.rev ot, List.rev s, List.rev hp, Right) + | Hairpin(ob,ot,s,hp,Right) -> Hairpin(List.rev ob, List.rev ot, List.rev s, List.rev hp, Left) + +(* Physically rotate a segment *) +let rotate s = reverse (mirror s) + +(* Compare the components of two segments for equality, without rotation *) +let equals seg1 seg2 = + match(seg1,seg2) with + | Double(lb,lt,s,rt,rb),Double(lb',lt',s',rt',rb') -> lb=lb' && lt=lt' && s=s' && rt=rt' && rb=rb' + | Hairpin(ob,ot,s,hp,sd),Hairpin(ob',ot',s',hp',sd') -> + ob=ob' && ot=ot' && s=s' && sd=sd' && hp=hp' + | _ -> false + +(* Provide an ordering between two segments for sorting, -1 when seg1 < seg2, 0 when seg1 = seg2, 1 when seg1 < seg2 + Hairpins are arbitrarily less than Doubles, pins on the left are arbitrarily less than pins on the right + Otherwise, from left to right following the lists compare based on length of list, then lexicographically and length on domains + Short domains are arbitrarily less than long domains + *) +let compare seg1 seg2 = + let domains_check (l1 : domain list) (l2 : domain list) = + let len1, len2 = List.length l1, List.length l2 in + if len1 < len2 then -1 + else if (len1 = len2) + then Lib.fold_right (fun (d1,d2) eq -> if eq=0 then compare d1 d2 else eq) (Lib.zip l1 l2) 0 + else 1 + in + let rec sets_check lls1 lls2 = + match lls1,lls2 with + | [],[] -> 0 + | l1::lls1,l2::lls2 -> let t_ans = domains_check l1 l2 in + if t_ans = 0 then sets_check lls1 lls2 else t_ans + | _ -> failwith "sets_check given unequal lists" + in + match(seg1,seg2) with + | Double(lb,lt,s,rt,rb),Double(lb2,lt2,s2,rt2,rb2) -> sets_check [lb;lt;s;rt;rb] [lb2;lt2;s2;rt2;rb2] + | Hairpin(ob,ot,s,hp,sd),Hairpin(ob2,ot2,s2,hp2,sd2) -> + (match sd,sd2 with + | Left,Right -> -1 + | Right,Left -> 1 + | Left,Left -> sets_check [hp;s;ot;ob] [hp2;s2;ot2;ob2] + | Right,Right -> sets_check [ob;ot;s;hp] [ob2;ot2;s2;hp2]) + | Double _, Hairpin _ -> 1 + | Hairpin _, Double _ -> -1 + +(* Compute free names of a segment. *) +let free_names = function + Double(lb,lt,s,rt,rb) -> Lib.collect Domain.free_names (lb@lt@s@rt@rb) + | Hairpin(ob,ot,s,hp,_) -> Lib.collect Domain.free_names (ob@ot@s@hp) + +(* Return all domains that appear in the segment. *) +let domains = function + Double(lb,lt,s,rt,rb) -> lb@lt@s@rt@rb + | Hairpin(ob,ot,s,hp,_) -> ob@ot@s@hp + +(* A segment is reactive if contains any exposed toeholds, not on the hairpin *) +let is_reactive = function + | Double(lb,lt,_,rt,rb) -> Domain.contains_toehold (lb@lt@rt@rb) + | Hairpin(ob,ot,_,_,_) -> Domain.contains_toehold (ob@ot) + +(* Return all tethered domains (separating bonded domains that are both tethered) that appear in the segment. *) +let tethered_domains seg = + let tethers ds = List.filter Domain.is_tethered ds in + match seg with + Double(lb,lt,s,rt,rb) -> (tethers lb)@(tethers lt)@(tethers s)@(tethers rt)@(tethers rb) + | Hairpin(ob,ot,s,_,_) -> (tethers ob)@(tethers ot)@(tethers s) + +(** Check type of a segment. *) +let inferType in_origami (env:Types.type_env) = function + Double(lb,lt,s,rt,rb) -> List.iter (Domain.inferType in_origami env) (lb@lt@s@rt@rb) + | Hairpin(ob,ot,s,hp,_) -> List.iter (Domain.inferType in_origami env) (ob@ot@s@hp) + +(** Get the position of the "first" domain in a segment for error reporting **) +let getPosn seg = + Domain.getPosn (List.head (match seg with + | Double(lb,lt,s,_,_) -> lb@lt@s + | Hairpin(_,_,_,hp,Left) -> hp + | Hairpin(ob,ot,s,_,Right) -> ob@ot@s)) + +(** Erase positions (set them all to default value) throughout. *) +let erasePosns seg = + let f = List.map Domain.erasePosns in + match seg with + Double(lb,lt,s,rt,rb) -> Double(f lb, f lt, f s, f rt, f rb) + | Hairpin(ob,ot,s,hp,sd) -> Hairpin(f ob, f ot, f s, f hp, sd) + +(** Replace positions consistently throughout. *) +let replacePosns (mrs:Types.range Stringmap.t) (seg:t) = + let f = List.map (Domain.replacePosns mrs) in + match seg with + Double(lb,lt,s,rt,rb) -> Double(f lb, f lt, f s, f rt, f rb) + | Hairpin(ob,ot,s,hp,sd) -> Hairpin(f ob, f ot, f s, f hp, sd) + +(* Does segment s' match the "pattern" s? *) +let matches seg seg' = + match seg,seg' with + Double(lb,lt,s,rt,rb), Double(lb',lt',s',rt',rb') -> + (Domain.matches_list lb lb') && (Domain.matches_list lt lt') && (Domain.matches_list s s') && + (Domain.matches_list rt rt') && (Domain.matches_list rb rb') + | Hairpin(ob,ot,s,hp,sd), Hairpin(ob',ot',s',hp',sd') -> + (Domain.matches_list ob ob') && (Domain.matches_list ot ot') && (Domain.matches_list s s') && + (Domain.matches_list hp hp') && sd=sd' + | _ -> false + +let matches_env env seg seg' = + match seg,seg' with + Double(lb,lt,s,rt,rb), Double(lb',lt',s',rt',rb') -> + Lib.option_and env + [ (fun e -> Domain.matches_list_env e lb lb') + ; (fun e -> Domain.matches_list_env e lt lt') + ; (fun e -> Domain.matches_list_env e s s') + ; (fun e -> Domain.matches_list_env e rt rt') + ; (fun e -> Domain.matches_list_env e rb rb') ] + | Hairpin(ob,ot,s,hp,sd), Hairpin(_,ot',s',hp',sd') -> + if sd=sd' then + Lib.option_and env + [ (fun e -> Domain.matches_list_env e ob ot') + ; (fun e -> Domain.matches_list_env e ot ot') + ; (fun e -> Domain.matches_list_env e s s') + ; (fun e -> Domain.matches_list_env e hp hp') ] + else None + | _,_ -> None + +let has_wildcard = function + | Double(lb,lt,s,rt,rb) -> List.exists (List.exists Domain.is_wildcard) [lb; lt; s; rt; rb] + | Hairpin(ob,ot,s,hp,_) -> List.exists (List.exists Domain.is_wildcard) [ob; ot; s; hp] + +(* Get the list of all NON-TOEHOLD domains exposed in the segment. *) +let exposed_nontoeholds = function + Double(lb,lt,_,rt,rb) -> List.filter (Domain.is_toehold >> not) (lb@lt@rt@rb) + | Hairpin(ob,ot,_,_,_) -> List.filter (Domain.is_toehold >> not) (ob@ot) + +(** Look for exposed neighbouring toeholds. *) +let neighbouring_toeholds = function + Double(lb,lt,_,rt,rb) -> Lib.lookForSome Domain.neighbouring_toeholds [lb;lt;rt;rb] + | Hairpin(ob,ot,_,_,_) -> Lib.lookForSome Domain.neighbouring_toeholds [ob;ot] + +(* Does the segment contain an available lower toehold? *) +let lower_toehold_available = function + Double(lb,_,_,_,rb) -> (Domain.contains_toehold lb) || (Domain.contains_toehold rb) + | Hairpin(ob,_,_,_,_) -> Domain.contains_toehold ob + +(* Does the segment contain an available upper toehold? *) +let upper_toehold_available = function + Double(_,lt,_,rt,_) -> (Domain.contains_toehold lt) || (Domain.contains_toehold rt) + | Hairpin(_,ot,_,_,_) -> (Domain.contains_toehold ot) + +(***************************************************************************************************) +(* COVER REACTIONS on a single segment. Zero or one reactions may occur. *) + +(** Cover a single exposed toehold to the right within a segment. *) +(* [s] : n^ -> [s n^] *) +let cover_right (c:t) = + match c with + | Double(lb,lt,s,((Domain.Toe _ as n)::rt),((Domain.Toe _ as n')::rb)) -> + if (Domain.are_complements n n') then + let n'' = Domain.stick n n' in Some(Double(lb,lt,s@[(n'')],rt,rb), n'') + else None + | Hairpin(((Domain.Toe _ as n)::ob),((Domain.Toe _ as n')::ot),s,hp,Left) -> + if (Domain.are_complements n n') then Some(Hairpin(ob,ot,s@[(Domain.stick n' n)],hp,Left), n) + else None + | _ -> None + +(** Cover a single exposed toehold to the left within a segment. *) +(* n^ : [s] -> [n^ s] *) +let cover_left (c:t) = + match c with + | Double(lb,lt,s,rt,rb) -> + (match (Lib.get_last_element lb),(Lib.get_last_element lt) with + | Some(lb,(Domain.Toe _ as n')),Some(lt,(Domain.Toe _ as n)) -> + if (Domain.are_complements n n') then + let n'' = Domain.stick n n' in Some(Double(lb,lt,(n'')::s,rt,rb), n'') + else None + | _ -> None) + | Hairpin(ob,ot,s,hp,Right) -> + (match (Lib.get_last_element ob),(Lib.get_last_element ot) with + | Some(ob,(Domain.Toe _ as n')),Some(ot,(Domain.Toe _ as n)) -> + if (Domain.are_complements n n') then + let n'' = Domain.stick n n' in Some(Hairpin(ob,ot,(n'')::s,hp,Right), n'') + else None + | _ -> None) + | _ -> None + +(***************************************************************************************************) +(* MIGRATION REACTIONS within a pair of segments. Zero or one reactions may occur. *) + +(* Function to find common head domains on a double segment and a "strand" and swap them*) +let swap_shared_domains_head (doubled : domain list) (free : domain list) = + let top_strand,bottom_strand = Domain.unstick_list doubled in + let rec matches new_doubled new_free top bot free = + match top,bot,free with + | [],[],[] -> (new_doubled, new_free, [], []) + | [],[],free_rest -> (new_doubled, new_free, [], free_rest) + | top_rest,bot_rest,[] -> (new_doubled, new_free, List.map2 Domain.stick top_rest bot_rest, []) + | (t::top_rest),(b::bot_rest),(f::free_rest) -> + if Domain.equal t f then matches (new_doubled@[Domain.stick f b]) (new_free@[t]) top_rest bot_rest free_rest + else (new_doubled, new_free, (List.map2 Domain.stick top bot), free) + | _ -> failwith "segment.swap_shared_domains_head did not have equal sized top and bottom lists" + in matches [] [] top_strand bottom_strand free + +(* Like swap_shared_domains_head, but starting at the other end of the segments *) +let swap_shared_domains_tail (doubled: domain list) (free: domain list) = + let shared_double, shared_free, double_rest, double_free = swap_shared_domains_head (List.rev doubled) (List.rev free) in + List.rev shared_double, List.rev shared_free, List.rev double_rest, List.rev double_free + +(** Migrate towards the right (by less than one segment). *) +(* [s1] : [s2 s3] -> [s1 s2] : [s3] *) +let migrate_right (cl:t) (cr:t) = + match cl,cr with + | Double(lb1,lt1,s1,rt1,[]),Double([],lt2,s2,rt2,rb2) -> (* Assume it's a lower join with no gap, so rb1 & lb2 must be empty. *) + (match (swap_shared_domains_head s2 rt1) with + | [],_,_,_ -> None (* No shared domains, second item is also [] *) + | _,_,[],_ -> None (* Not doing a displacement, so s2_rest must be non-empty *) + | shared_s2,shared_top,s2_rest,rt1_rest -> + Some(Double(lb1,lt1,(s1@shared_s2),rt1_rest,[]), Double([],(lt2@shared_top),s2_rest,rt2,rb2), shared_top)) + | Hairpin([],ot,s,hp,Left),Double([],lt,s2,rt, rb) -> (* Assume lower join, hairpin on the left (not opening) *) + (match (swap_shared_domains_head s2 ot) with + | [],_,_,_ -> None (* No shared domains *) + | _,_,[],_ -> None (* see above *) + | shared_s2, shared_top, s2_rest, ot_rest -> + Some(Hairpin([],ot_rest,(s@shared_s2),hp,Left),Double([],(lt@shared_top),s2_rest,rt,rb),shared_top)) + | Double(lb1,lt1,s1,rt1,[]),Hairpin([],ot,s2,hp,Right) -> (* Assume lower join, hairpin on the right (not opening) *) + (match (swap_shared_domains_head s2 rt1) with + | [],_,_,_ -> None (* No shared domains *) + | _,_,[],_ -> None (* Not opening, so s2_rest must be non-empty *) + | shared_s2, shared_top, s2_rest, rt1_rest -> + Some(Double(lb1,lt1,(s1@shared_s2), rt1_rest,[]), Hairpin([],ot@shared_top,s2_rest,hp,Right), shared_top)) + | Hairpin([],ot1,s1,hp1,Left),Hairpin([],ot2,s2,hp2,Right) -> + (match (swap_shared_domains_head s2 ot1) with + | [],_,_,_ -> None + | _,_,[],_ -> None (* Not opening, so s2_rest must be non-empty *) + | shared_s2, shared_top, s2_rest, ot1_rest -> + Some(Hairpin([],ot1_rest,s1@shared_s2,hp1,Left),Hairpin([],ot2@shared_top,s2_rest,hp2,Right),shared_top)) + | _,_ -> None + +(** Migrate towards the left (by less than one segment). Zero or one reactions may occur. *) +(* [s1 s2] : [s3] -> [s1] : [s2 s3] *) +(* {lb1}[s1] : [s2]{rb2} *) +let migrate_left (cl:t) (cr:t) = + match cl,cr with + | Double(lb1,lt1,s1,rt1,[]),Double([],lt2,s2,rt2,rb2) -> (* Assume it's a lower join with no gap, so rb1 & lb2 must be empty. *) + (match (swap_shared_domains_tail s1 lt2) with + | [],_,_,_ -> None (* No shared domains, second item is [] *) + | _,_,[],_ -> None (* Not displacing, so s1_rest must be non-empty *) + | shared_s1,shared_top,s1_rest,lt2_rest -> + Some(Double(lb1,lt1,s1_rest,(shared_top@rt1),[]),Double([],lt2_rest,(shared_s1@s2),rt2,rb2),shared_top)) + | Hairpin([],ot,s1,hp,Left),Double([],lt2,s2,rt2,rb2) -> + (match (swap_shared_domains_tail s1 lt2) with + | [],_,_,_ -> None + | _,_,[],_ -> None (* Not doing a migrate open, so s1_rest must be non-empty *) + | shared_s1,shared_top,s1_rest,lt2_rest -> + Some(Hairpin([],shared_top@ot,s1_rest,hp,Left),Double([],lt2_rest,(shared_s1@s2),rt2,rb2),shared_top)) + | Double(lb1,lt1,s1,rt1,[]),Hairpin([],ot,s2,hp,Right) -> + (match (swap_shared_domains_tail s1 ot) with + | [],_,_,_ -> None + | _,_,[],_ -> None (* Not a displace *) + | shared_s1,shared_top,s1_rest,ot_rest -> + Some(Double(lb1,lt1,s1_rest,shared_top@rt1,[]),Hairpin([],ot_rest,(shared_s1@s2),hp,Right),shared_top)) + | Hairpin([],ot1,s1,hp,Left),Hairpin([],ot2,s2,hp2,Right) -> + (match (swap_shared_domains_tail s1 ot2) with + | [],_,_,_ -> None + | _,_,[],_ -> None (* Not a migrate open *) + | shared_s1,shared_top, s1_rest, ot2_rest -> + Some(Hairpin([],shared_top@ot1,s1_rest,hp,Left),Hairpin([],ot2_rest,(shared_s1@s2),hp2,Right),shared_top)) + | _,_ -> None + +(* Simple migration functions - don't care if it succeeds or fails. + * These just return the two segments after any reaction, i.e. they may be unchanged. *) +let migrate_left_simple ((c:t),(c':t)) = match migrate_left c c' with Some(c1,c1',_) -> c1,c1' | None -> (c,c') +let migrate_right_simple ((c:t),(c':t)) = match migrate_right c c' with Some(c1,c1',_) -> c1,c1' | None -> (c,c') + +(** Migrate towards the right (by less than one segment), opening a hairpin *) +(* [s1] : [s2 s3]{hp> -> [s1 s2 s3]{hp s3 s2 l2} *) +let migrate_open_right (c:t) (c':t) = + match c,c' with + | Double(lb1,lt1,s1,rt1,[]),Hairpin([],ot,s2,hp,Right) -> (* Assume lower join, hairpin on the right, opening *) + (match (swap_shared_domains_head s2 rt1) with + | [],_,_,_ -> None (* No shared domains, second item is [] *) + | shared_s2,shared_top,[],rt1_rest -> + Some(Double(lb1,lt1,s1@shared_s2,rt1_rest,hp@(List.rev shared_top)@(List.rev ot)),shared_top) + | _,_,_,_ -> None) (* s2_rest must be empty to open *) + | Hairpin([],ot1,s1,hp1,Left),Hairpin([],ot2,s2,hp2,Right) -> + (match (swap_shared_domains_head s2 ot1) with + | [],_,_,_ -> None + | shared_s2,shared_top, [], ot1_rest -> + Some(Hairpin(hp2@List.rev(shared_top)@List.rev(ot2), ot1_rest, s1@shared_s2,hp1,Left), shared_top) + | _,_,_,_ -> None) (* Not a migrate *) + | _,_ -> None + +(** Migrate towards the left (by less than one segment), opening a hairpin *) +(* : [s2] -> {r1 s2 s1 hp}[s1 s2] *) +let migrate_open_left (c:t) (c':t) = + match c,c' with + | Hairpin([],ot,s1,hp,Left),Double([],lt2,s2,rt2,rb2) -> + (match (swap_shared_domains_tail s1 lt2) with + | [],_,_,_ -> None (*No shared domains*) + | shared_s1,shared_top,[],lt2_rest -> + Some(Double(List.rev(ot)@List.rev(shared_top)@hp,lt2_rest,shared_s1@s2,rt2,rb2), shared_top) + | _,_,_,_ -> None) + | Hairpin([],_,s1,hp,Left),Hairpin([],ot2,s2,hp2,Right) -> + (match (swap_shared_domains_tail s1 ot2) with + | [],_,_,_ -> None + | shared_s1,shared_top, [], ot2_rest -> + Some(Hairpin(List.rev(ot2)@List.rev(shared_top)@hp,ot2_rest,shared_s1@s2,hp2,Right), shared_top) + | _,_,_,_ -> None) + | _,_ -> None + +(***************************************************************************************************) +(* DISPLACMENT REACTIONS involving a single segment. *) + +(** Displace a single strand to the right. Zero or one reactions may occur. *) +(* [s1] | [s2] -> | [s1 s2] *) +let displace_right (cl:t) (cr:t) = + match cl,cr with + | Double(lb1,lt1,s1,rt1,[]),Double([],lt2,s2,rt2,rb2) -> (* Assume it's a lower join with no gap, so rb1 & lb2 must be empty. *) + (match (swap_shared_domains_head s2 rt1) with + | [],_,_,_ -> None (* No shared domains, second item is [] *) + | shared_s2,shared_top,[],rt1_rest -> + Some(Double(lb1,lt1,(s1@shared_s2),rt1_rest,rb2), Strand.Upper(lt2@shared_top@rt2), s2) + | _,_,_,_ -> None) (* To displace, s2_rest must be empty. *) + | Hairpin([],ot,s,hp,Left),Double([],lt,s2,rt, rb) -> (* Assume lower join, hairpin on the left *) + (match (swap_shared_domains_head s2 ot) with + | [],_,_,_ -> None + | shared_s2,shared_top,[], ot_rest -> + Some(Hairpin(rb,ot_rest,(s@shared_s2),hp,Left), Strand.Upper(lt@shared_top@rt), s2) + | _,_,_,_ -> None) (* A displacement, so s2_rest empty *) + | _,_ -> None + +(** Displace a single strand to the left. Zero or one reactions may occur. *) +(* [s1] | [s2] -> | [s1 s2] *) +let displace_left (cl:t) (cr:t) = + match cl,cr with + | Double(lb1,lt1,s1,rt1,[]),Double([],lt2,s2,rt2,rb2) -> (* Assume it's a lower join with no gap, so rb1 & lb2 must be empty. *) + (match (swap_shared_domains_tail s1 lt2) with + | [],_,_,_ -> None + | shared_s1,shared_top,[],lt2_rest -> Some(Double(lb1,lt2_rest,(shared_s1@s2),rt2,rb2), Strand.Upper(lt1@shared_top@rt1), s1) + | _,_,_,_ -> None) (* We're doing a displacement so s1_rest must be empty. *) + | Double(lb1,lt1,s1,rt1,[]),Hairpin([],ot,s2,hp,Right) -> + (match (swap_shared_domains_tail s1 ot) with + | [],_,_,_ -> None + | shared_s1,shared_top,[],ot_rest -> Some(Hairpin(lb1, ot_rest, (shared_s1@s2), hp, Right), Strand.Upper(lt1@shared_top@rt1), s1) + | _,_,_,_ -> None) + | _,_ -> None + +(***************************************************************************************************) +(* TOEHOLD BINDING AND UNBINDING REACTIONS involving a single segment (maybe also an incoming strand). *) + +let stick (n,subn) (n',subn') = + let n'' = Domain.stick n n' in + let n'', stuck = + match subn, subn' with + | None, None -> (n'', false), [n''] + | Some sub, Some sub' -> + let tags = sub |> List.choose Domain.get_tags |> List.concat in + let tags' = sub' |> List.choose Domain.get_tags |> List.concat in + let common_tags = match Lib.intersection (=) tags tags' with + | [] -> None + | cs -> cs |> Lib.remove_duplicates (=) |> Some in + let n_tagged = n'' |> Domain.set_tags common_tags in + (n_tagged, true), List.map2 Domain.stick sub sub' + | _ -> failwith "subdomains do not match" in + n'', stuck + +let stick_simple n n' = + let n'' = Domain.stick n n' in + (n'', false), [n''] + +(* Possibly stick an upper strand to a gate. (Lower strand interactions are dealt with by another call following a mirror.) + This includes the possibility of unproductive reactions, which may be ruled out in gate.ml. *) +let stick_sg sub_map (c:t) (s:strand) = + match c,s with + | Double(lb,lt,s,rt,rb), Strand.Upper(ns) -> + let lhs = + (Domain.matching_toeholds sub_map ns lb) + |> List.map + (fun ((nsl,n,nsr),(lbl,n',lbr)) -> let n'', stuck = stick n n' + (Double(lbl,nsl,stuck,nsr,lbr), Double([],lt,s,rt,rb), n'', false)) + + + let rhs = + (Domain.matching_toeholds sub_map ns rb) + |> List.map + (fun ((nsl,n,nsr),(rbl,n',rbr)) -> let n'', stuck = stick n n' + (Double(lb,lt,s,rt,rbl), Double([],nsl,stuck,nsr,rbr), n'', true)) + + lhs@rhs + + | Hairpin(ob,ot,s,hp,Right),Strand.Upper(ns) -> + (Domain.matching_toeholds sub_map ns ob) + |> List.map + (fun ((nsl,n,nsr),(obl,n',obr)) -> let n'', stuck = stick n n' + (Double(obl,nsl,stuck,nsr,obr), Hairpin([],ot,s,hp,Right), n'', false)) + + | Hairpin(ob, ot, s, hp, Left), Strand.Upper(ns) -> + + (Domain.matching_toeholds sub_map ns ob) + |> List.map + (fun ((nsl,n,nsr),(obl,n',obr)) -> let n'', stuck = stick n n' + (Hairpin(obl,ot,s,hp,Left), Double([],nsl,stuck,nsr,obr), n'', true)) + + | _,_ -> [] + +(* Possibly stick two strands together. *) +let stick_ss sub_map (s:strand) (s':strand) = + match s,s' with + | Strand.Upper(ns), Strand.Lower(ms) + | Strand.Lower(ms), Strand.Upper(ns) -> + (Domain.matching_toeholds sub_map ns ms) + |> List.map + (fun ((nsl,n,nsr),(msl,n',msr)) -> let n'', stuck = stick n n' + (Double(msl,nsl,stuck,nsr,msr), n'')) + + | _,_ -> [] + +(* Possible stick two gates together using their extreme segments. *) +let stick_gg sub_map (cl:t) (cr:t) = + match cl,cr with + (* Get at the various parts of the segments. *) + | Double(lb1,lt1,s1,rt1,rb1), Double(lb2,lt2,s2,rt2,rb2) -> + (* There are two possible interaction modes. *) + let c1t_c2b = + Domain.matching_toeholds sub_map rt1 lb2 + |> List.map + (fun ((rt1l,n,rt1r),(lb2l,n',lb2r)) -> + let n'', stuck = stick n n' + (Double(lb1,lt1,s1,[],rb1), Double(lb2l,rt1l,stuck,rt1r,lb2r), Double([],lt2,s2,rt2,rb2), n'', true)) + + let c1b_c2t = + Domain.matching_toeholds sub_map lt2 rb1 + |> List.map + (fun ((lt2l,n,lt2r),(rb1l,n',rb1r)) -> + let n'', stuck = stick n n' + (Double(lb1,lt1,s1,rt1,[]), Double(rb1l,lt2l,stuck,lt2r,rb1r), Double(lb2,[],s2,rt2,rb2), n'', false)) + + c1t_c2b@c1b_c2t + + | Double(lb1,lt1,s1,rt1,rb1), Hairpin(ob,ot,s2,hp,Right) -> + let c1t_c2b = + Domain.matching_toeholds sub_map rt1 ob + |> List.map + (fun ((rt1l,n,rt1r),(obl,n',obr)) -> + let n'', stuck = stick n n' + (Double(lb1,lt1,s1,[],rb1), Double(obl,rt1l,stuck,rt1r,obr), Hairpin([],ot,s2,hp,Right), n'', true)) + + let c1b_c2t = + Domain.matching_toeholds sub_map rb1 ot + |> List.map + (fun ((rb1l,n',rb1r),(otl,n,otr)) -> + let n'', stuck = stick n n' + (Double(lb1,lt1,s1,rt1,[]), Double(rb1l,otl,stuck,otr,rb1r), Hairpin(ob,[],s2,hp,Right), n'', false)) + + c1t_c2b@c1b_c2t + + | Hairpin(ob,ot,s1,hp,Left), Double(lb2,lt2,s2,rt2,rb2) -> + let c1t_c2b = + Domain.matching_toeholds sub_map ot lb2 + |> List.map + (fun ((otl,n,otr),(lb2l,n',lb2r)) -> + let n'', stuck = stick n n' + (Hairpin(ob,[],s1,hp,Left), Double(lb2l,otl,stuck,otr,lb2r), Double([],lt2,s2,rt2,rb2), n'', true)) + + let c1b_c2t = + Domain.matching_toeholds sub_map ob lt2 + |> List.map + (fun ((obl,n',obr),(l2tl,n,lt2r)) -> + let n'', stuck = stick n n' + (Hairpin([],ot,s1,hp,Left), Double(obl,l2tl,stuck,lt2r,obr), Double(lb2,[],s2,rt2,rb2), n'', false)) + + c1t_c2b@c1b_c2t + + | Hairpin(ob1,ot1,s1,hp1,Left), Hairpin(ob2,ot2,s2,hp2,Right) -> + let c1t_c2b = + Domain.matching_toeholds sub_map ot1 ob2 + |> List.map + (fun ((ot1l,n,ot1r),(ob2l,n',ob2r)) -> + let n'', stuck = stick n n' + (Hairpin(ob1,[],s1,hp1,Left), Double(ob2l,ot1l,stuck,ot1r,ob2r), Hairpin([],ot2,s2,hp2,Right), n'', true)) + + let c1b_c2t = + Domain.matching_toeholds sub_map ob1 ot2 + |> List.map + (fun ((ob1l,n',ob1r),(o2tl,n,ot2r)) -> + let n'', stuck = stick n n' + (Hairpin([],ot1,s1,hp1,Left), Double(ob1l,o2tl,stuck,ot2r,ob1r), Hairpin(ob2,[],s2,hp2,Right), n'', false)) + + c1t_c2b@c1b_c2t + + | _,_ -> [] + +let swap_shared_domains_middle s t = + let rec swaps pre = function + | [] -> [] + | ((d::post) as ds) -> + (match swap_shared_domains_head s ds with + | [],_,_,_ -> swaps (d::pre) post + | ss,st,sr,tr -> (pre,ss,st,sr,tr)::swaps (d::pre) post) in + match t with + | [] -> [] + | [_] -> [] + | d::ds -> swaps [d] ds + +let close_lower_left_migrate = function +| Double ([],_,_,_,_) -> [] +| Hairpin ([],_,_,_,_) -> [] +| Double (lb,lt,s,rt,rb) -> + let t = lb |> List.rev in + swap_shared_domains_middle s t + |> List.collect (function + | _,_,_,[],_ -> [] (* Not doing a displacement, so sr must be non-empty *) + | tl,ss,st,sr,tr -> [ tl + , Hairpin ([],tr,ss,tl,Left) + , Double ([],lt@ss,sr,rt,rb) + , st ]) +| Hairpin(ob,ot,s,hp,Right) -> + let t = ob |> List.rev in + swap_shared_domains_middle s t + |> List.collect (function + | _,_,_,[],_ -> [] (* Not doing a displacement, so sr must be non-empty *) + | tl,ss,st,sr,tr -> [ tl + , Hairpin ([],tr,ss,tl,Left) + , Hairpin ([],ot@ss,sr,hp,Right) + , st ]) +| _ -> [] + +let close_lower_left_displace = function +| Double ([],_,_,_,_) -> [] +| Double (lb,lt,s,rt,rb) -> + let t = lb |> List.rev in + swap_shared_domains_middle s t + |> List.collect (function + | tl,ss,st,[],tr -> [ tl + , Hairpin (rb,tr,ss,tl,Left) (* tl is guaranteed to be non-empty by swap_shared_domains_middle *) + , Strand.Upper (lt@st@rt) + , st ] + | _ -> []) (* Doing a displacement, so sr must be empty *) +| _ -> [] + +let close_lower_left_open = function +| Hairpin ([],_,_,_,_) -> [] +| Hairpin(ob,ot,s,hp,Right) -> + let t = ob |> List.rev in + swap_shared_domains_middle s t + |> List.collect (function + | _,_,_,[],_ -> [] (* Not doing a displacement, so sr must be non-empty *) + | tl,ss,st,_,tr -> [ tl + , Hairpin (hp@(List.rev s)@(List.rev ot),tr,ss,tl,Left) + , st ]) +| _ -> [] + + +(* Possibly unstick a strand from a segment. *) +let unstick (sub_map: Domain.sub_map) (c:t) = + match c with + | Double(lb,lt,[((Domain.Toe _) as n)],rt,rb) -> let upper,lower = Domain.unstick n in + Some(Strand.Lower(lb@[lower]@rb), Strand.Upper(lt@[upper]@rt), n) + //(* + | Double(lb,lt,s,rt,rb) -> + let s_names = List.map Domain.get_name s in + (match Hashtable.tryFind sub_map s_names with + | None -> None + | Some d -> + if Domain.is_toehold d then + let upper,lower = List.unzip (List.map Domain.unstick s) in + Some(Strand.Lower(lb@lower@rb), Strand.Upper(lt@upper@rt), d) + else None + ) + //*) + | _ -> None + +(* Possibly create a hairpin from a strand with complementing toeholds; may be unproductive *) +let pin_strand (s:strand) = + match s with + | Strand.Upper(doms) -> List.map (fun (lft, n', hp, n, rght) -> + let n'', stuck = stick_simple n' n in (Hairpin(rght,lft,stuck,hp,Right),n'')) + (Domain.internal_complements doms) + | Strand.Lower(doms) -> List.map (fun (lft, n, hp, n', rght) -> + let n'', stuck = stick_simple n n' in (Hairpin(rght,lft,stuck,hp,Left),n'')) + (Domain.internal_complements doms) + +(* Possibly create hairpins from lower overhangs; from upper overhangs will be handled after a rotation *) +let pin_segment (c:t) = + match c with + | Double(lb,lt,s,rt,rb) -> + (* Pinned on the lower left overhang *) + (List.map (fun (lft,n,hp,n',rght) -> + let n'', stuck = stick_simple n n' in (Hairpin(rght,lft,stuck,hp,Left),Double([],lt,s,rt,rb),n'',false)) + (Domain.internal_complements lb)) @ + (* Pinned on the lower right overhang *) + (List.map (fun (lft,n',hp,n,rght) -> + let n'', stuck = stick_simple n n' in (Double(lb,lt,s,rt,[]),Hairpin(lft,(List.rev(rght)),stuck,hp,Right),n'',true)) + (Domain.internal_complements rb)) + | Hairpin(ob,ot,s,_,Left) -> + (List.map (fun (lft,n',hp,n,rght) -> + let n'', stuck = stick_simple n n' in (Hairpin([],ot,s,hp,Left),Hairpin(lft,List.rev(rght),stuck,hp,Right),n'',true)) + (Domain.internal_complements ob)) + | Hairpin(ob,ot,s,_,Right) -> + (List.map (fun (lft,n,hp,n',rght) -> + let n'', stuck = stick_simple n n' in (Hairpin(rght,lft,stuck,hp,Left),Hairpin([],ot,s,hp,Right),n'',false)) + (Domain.internal_complements ob)) + +(* Possibly open a left hairpin into a lower strand *) +let unbind_open_up (c:t) = + match c with + | Hairpin(ob,ot,[(Domain.Toe _ as t)],hp,Left) -> + let t,t' = Domain.unstick t in + let flip_ot = ot |> List.rev in + Some(Strand.Lower(flip_ot@[t]@hp@[t']@ob),t) + | _ -> None + +(* Possibly open a left hairpin into an upper strand *) +let unbind_open_down (c:t) = + match c with + | Hairpin(ob,ot,[(Domain.Toe _ as t)],hp,Left) -> + let t,t' = Domain.unstick t in + let flip_ob = ob |> List.rev in + Some(Strand.Upper(flip_ob@[t']@(List.rev hp)@[t]@ot),t) + | _ -> None + + (* Possibly open up a left hairpin next to another segment, + incorporating the lower strand onto the lower overhang of the segment + (right hairpin handled via rotation) *) +let unbind_open_gg_lcon (c1:t) (c2:t) = + match c1,c2 with + | Hairpin (_,_,_,_,Left) , Double(lb,lt,s,rt,rb) -> + (match unbind_open_up c1 with + | None -> None + | Some(Strand.Lower(ds),t) -> Some(Double(ds@lb,lt,s,rt,rb),t) + | _ -> failwith "unbind_open_up only returns lower strands") + | _,_ -> None + + (* Possibly open down a left hairpin next to another segment, + incorporating the upper strand onto the upper overhang of the segment + (right hairpin handled via rotation) *) +let unbind_open_gg_ucon (c1:t) (c2:t) = + match c1,c2 with + | Hairpin (_,_,_,_,Left) , Double(lb,lt,s,rt,rb) -> + (match unbind_open_down c1 with + | None -> None + | Some(Strand.Upper(ds),t) -> Some(Double(lb,ds@lt,s,rt,rb),t) + | _ -> failwith "unbind_open_down only returns upper strands") + | _,_ -> None + +(***************************************************************************************************) +(* LEAK REACTIONS involving a single segment and an incoming strand. Zero or more reactions may happen. *) + +(** Possibly instigate a leak reaction from a segment. + * Assume that the caller (Gate.leak_reactions) has migrated the branches on either side + * as far towards each other as possible towards the centre. *) +let leak_sg (g:t) (s_in:strand) = + (* Rule LS: [S] | ->{l} [S] | *) + let leaks_ls = + match g,s_in with + | Double(lb1,lt1,s,rt1,rb1), Strand.Upper(ns) -> + (match s with + | [] -> failwith "Segment.leak: empty double strand" + | [Domain.Toe _] -> [] (* Enforce that S =/= N^ (side-condition of rule LS) *) + | _ -> let f = (fun (l,r) -> + let gs_out = Double(lb1,l,s,r,rb1) in + let s_out = Strand.mk_upper(lt1@s@rt1) in (gs_out, s_out, true)) + in List.map f (Lib.split_around_sublist s ns)) + | _ -> [] + + (* Rule LR: [S N^] | ->{l} [S]:N^ | *) + let leaks_lr = + match g,s_in with + | Double(lb1,lt1,s,rt1,rb1), Strand.Upper(ns) -> + (match (Lib.get_last_element s) with + | Some(s,(Domain.Toe _ as n)) when s <> [] -> + let f = (fun (l,r) -> + (* Enforce that R =/= N^ R' *) + if (not(Lib.is_first n r)) then + let gs_out = Double(lb1,l,s,r,((Domain.complement n)::rb1)) in + let s_out = Strand.mk_upper(lt1@s@[n]@rt1) in [gs_out, s_out, true] + else []) + in Lib.collect f (Lib.split_around_sublist s ns) + | _ -> []) + | _ -> [] + + (* Rule LL: [N^ S] | ->{l} N^:[S] | *) + let leaks_ll = + match g,s_in with + | Double(lb1,lt1,s,rt1,rb1), Strand.Upper(ns) -> + (match s with + | ((Domain.Toe _ as n)::s) when s <> [] -> + let f = (fun (l,r) -> + (* Enforce that L =/= L' N^ *) + if (not(Lib.is_last n l)) then + let gs_out = Double((lb1@[Domain.complement n]),l,s,r,rb1) in + let s_out = Strand.mk_upper(lt1@[n]@s@rt1) in [gs_out, s_out, true] + else []) + in Lib.collect f (Lib.split_around_sublist s ns) + | _ -> []) + | _ -> [] + + (* Rule LB: [N1^ S N2^] | ->{w} N1^:[S]:N2^ | *) + let leaks_lb = [] : (t * Strand.t * bool) list (*(match g,s_in with (* DISABLING THESE FOR NOW. *) + | Double(lb1,lt1,s,rt1,rb1), Strand.Upper(ns) -> (match (Lib.get_first_and_last s) with + | Some((Domain.Toe _ as n1),s,(Domain.Toe _ as n2)) when s <> [] -> + let f = (fun (l,r) -> + (* Enforce that L =/= L' N1^ and R =/= N2^ R' *) + if (not(Lib.is_last n1 l)) && (not(Lib.is_first n2 r)) then + let gs_out = Double((lb1@[Domain.complement n1]),l,s,r,((Domain.complement n2)::rb1)) in + let s_out = Strand.Upper(lt1@[n1]@s@[n2]@rt1) in [gs_out, s_out, false] + else []) + in Lib.collect f (Lib.split_around_sublist s ns) + | _ -> []) + | _ -> [])*) + + leaks_ls @ leaks_lr @ leaks_ll @ leaks_lb + +(*let leak_gg ... *) + +(***************************************************************************************************) +let universal_counters seg = + let f = List.map Domain.universal_counters in + match seg with + Double(lb,lt,s,rt,rb) -> Double(f lb, f lt, f s, f rt, f rb) + | Hairpin(ob,ot,s,hp,sd) -> Hairpin(f ob, f ot, f s, f hp, sd) + + +(* FD Additions *) +// empty constructor +let empty = Double([],[],[],[],[]) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/segment.fsi b/ClassicDSD/ClassicDSDDotNet/segment.fsi new file mode 100644 index 0000000..8623fe5 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/segment.fsi @@ -0,0 +1,104 @@ +module Microsoft.Research.DNA.Segment +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +(* A segment can be a lower toehold strand or a double-strand *) +type value = Value.t +type value_env = Value.t_env +type domain = Domain.t +type strand = Strand.t + +type side = Left | Right +type t = + ///lower left, upper left, middle, upper right, lower right + | Double of (domain list * domain list * domain list * domain list * domain list) + ///lower, upper, middle, loop, side + | Hairpin of (domain list * domain list * domain list * domain list * side) + +val tag_sets : t -> Domain.tag list option * Domain.tag list option +val tethered_tag_sets : t -> Domain.tag list option * Domain.tag list option +val set_tags : t -> Domain.tag list option -> t +val add_tags : t -> Domain.tag list option -> t + +val bottom_left_overhang : t -> domain list +val top_left_overhang : t -> domain list +val double_stranded_region : t -> domain list +val top_right_overhang : t -> domain list +val bottom_right_overhang : t -> domain list +val hairpin_region : t -> domain list +val rotate : t -> t +val mirror : t -> t +val reverse : t -> t +val equals : t -> t -> bool +val compare : t -> t -> int + +val display : t -> string +val eval : value_env -> t -> t +val free_names : t -> (Value.name * Value.range) list +val domains : t -> domain list +val is_reactive : t -> bool +val tethered_domains : t -> domain list +val inferType : bool option -> Types.type_env -> t -> unit +val getPosn : t -> Types.range +val erasePosns : t -> t +val replacePosns : Types.range Stringmap.t -> t -> t +val matches : t -> t -> bool +val matches_env : Domain.match_env -> t -> t -> Domain.match_env option +val has_wildcard : t -> bool +val lower_toehold_available : t -> bool +val upper_toehold_available : t -> bool + +(** Find exposed long domains. *) +val exposed_nontoeholds : t -> domain list + +(** Look for exposed neighbouring toeholds. *) +val neighbouring_toeholds : t -> (domain * domain) option + +(** Cover a single exposed toehold to the left/right. *) +val cover_left : t -> (t * domain) option +val cover_right : t -> (t * domain) option + +(** Migrate towards the left/right (by less than one segment). *) +val migrate_left : t -> t -> (t * t * domain list) option +val migrate_left_simple : t * t -> t * t +val migrate_right : t -> t -> (t * t * domain list) option +val migrate_right_simple : t * t -> t * t + +(** Migrate left/right (by less than one segment) and open a hairpin. **) +val migrate_open_left : t -> t -> (t * domain list) option +val migrate_open_right : t -> t -> (t * domain list) option + +(** Displace a single strand to the left/right. *) +val displace_left : t -> t -> (t * strand * domain list) option +val displace_right : t -> t -> (t * strand * domain list) option + +(** Various kinds of sticking reaction... *) +val stick_sg : Domain.sub_map -> t -> strand -> (t * t * (domain * bool) * bool) list +val stick_ss : Domain.sub_map -> strand -> strand -> (t * (domain * bool)) list +val stick_gg : Domain.sub_map -> t -> t -> (t * t * t * (domain * bool) * bool) list + +(** Pinning via migration reactions *) +val close_lower_left_migrate : t -> (domain list * t * t * domain list) list +val close_lower_left_displace : t -> (domain list * t * Strand.t * domain list) list +val close_lower_left_open : t -> (domain list * t * domain list) list + +(** Pinning and unpinning reactions *) +val pin_strand : strand -> (t * (domain * bool)) list +val pin_segment : t -> (t * t * (domain * bool) * bool) list +val unbind_open_up : t -> (strand * domain) option +val unbind_open_down : t -> (strand * domain) option +val unbind_open_gg_lcon : t -> t -> (t * domain) option +val unbind_open_gg_ucon : t -> t -> (t * domain) option + +(** Unsticking reactions. *) +val unstick : Domain.sub_map -> t -> (strand * strand * domain) option + +(** Leak reactions. *) +val leak_sg : t -> strand -> (t * strand * bool) list +(* val leak_gg : ... *) + +(******************************************************************************) +val universal_counters : t -> t + +(* FD additions *) +val empty : t \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/sequence.fs b/ClassicDSD/ClassicDSDDotNet/sequence.fs new file mode 100644 index 0000000..b0fd517 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/sequence.fs @@ -0,0 +1,135 @@ +[] +module Microsoft.Research.DNA.Sequence +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type domain = Domain.t + +(* DNA bases. *) +type dnabase = Adenine | Guanine | Cytosine | Thymine +let complement_dnabase = function + | Adenine -> Thymine + | Guanine -> Cytosine + | Cytosine -> Guanine + | Thymine -> Adenine +let string_of_dnabase = function Adenine -> "A" | Guanine -> "G" | Cytosine -> "C" | Thymine -> "T" + +(* DNA sequences. *) +type t = dnabase list +let complement s = List.map complement_dnabase s +let string_of_sequence s = Lib.string_of_list string_of_dnabase "" s +let string_of_seqopt = function Some s -> string_of_sequence s | None -> "*** INSUFFICIENT DNA SEQUENCES ***" + +(* Turn a string into a DNA sequence. Throw an expection if ill-formed *) +let parse_sequence (s:string) : t = + let translate_char = function | 'A' -> Adenine | 'G' -> Guanine | 'C' -> Cytosine | 'T' -> Thymine | c -> Errors.dna_char_error c + s.ToCharArray() |> Array.map translate_char |> List.ofArray + +let split_sequences (s:string) : string list = + s.Split('\r','\n') |> Array.toList |> List.map (fun s -> s.Trim()) |> List.where (fun s -> s.Length > 0) + +(* Turn a string into a list of DNA sequences. Throw an exception if ill-formed. +FP: rewrote this to be faster. *) +let parse_sequences (s:string) : t list = + let seqs = split_sequences s + seqs |> List.map parse_sequence + + (*let chars = Lib.charlist_of_string s in + let translate_character = function + | 'A' -> Some Adenine + | 'G' -> Some Guanine + | 'C' -> Some Cytosine + | 'T' -> Some Thymine + | '\r' -> None + | '\n' -> None + | c -> Errors.dna_char_error c + in + let curr,seqs = + Lib.fold_left ( + fun (curr,seqs) c -> + match translate_character c with + | None -> if curr = [] then ([],seqs) else ([],seqs@[curr]) + | Some b -> (curr@[b], seqs)) ([],[]) chars + in + seqs@[curr]*) + +(* Mappings from domains to sequences. *) +type mapping = + { toeholds: string list + ; specificities: string list + ; assigned: (domain * t option) list } +let empty : mapping = { toeholds = []; specificities = []; assigned = [] } +let initialise_mapping (opts:Options.t) : mapping = + let ts = opts |> Options.getToeholdsText |> split_sequences in + let ss = opts |> Options.getSpecificitiesText |> split_sequences in + (* If checks are disabled then we don't check the lengths / check for duplicates. *) + if (Options.getCheckDNA opts) then + (List.iter (fun (s:string) -> if (s.Length>=10) then (Errors.dna_toe_error s)) ts; + List.iter (fun (s:string) -> if (s.Length<10) then (Errors.dna_spec_error s)) ss; + match Lib.find_duplicate (=) (ts@ss) with + | None -> { toeholds = ts; specificities = ss; assigned = [] } + | Some s -> Errors.dna_dup_error s) + else + { toeholds = ts; specificities = ss; assigned = [] } + +(* Get a domain's value from the mapping. *) +let get_domain (m:mapping) (d:domain) = + let rec get d = function + | [] -> None + | (d',s':t option)::m' -> if Domain.equal d d' then Some s' else get d m' + in + match get (Domain.unstar d) m.assigned with + | None -> None + | Some None -> Some None + | Some (Some s) -> Some(Some(if Domain.is_complemented d then List.rev(complement s) else s)) + +(* Assign the next toehold/specificity domain. *) +let assign_next_toehold (d:domain) (m:mapping) : mapping = + match m.toeholds with + | [] -> { m with assigned = (d,None)::m.assigned } + | (t::ts') -> { m with toeholds = ts'; assigned = (d,t |> parse_sequence |> Some)::m.assigned } +let assign_next_specificity (d:domain) (m:mapping) : mapping = + match m.specificities with + | [] -> { m with assigned = (d,None)::m.assigned } + | (s::ss') -> { m with specificities = ss'; assigned = (d,s |> parse_sequence |> Some)::m.assigned } + +(* Add a new domain to the mapping (uncomplemented). + Return the existing mapping if the uncomplemented domain is already present. *) +let add_domain (m:mapping) (d:domain) = + let d = Domain.unstar d in + match (get_domain m d) with + | Some _ -> m + | None -> match d with + | Domain.Toe(Value.DomainS(_,_,s,_,_,_),_,_,_) -> + { m with assigned = (d,Some (List.head (parse_sequences s)))::m.assigned } + | Domain.Toe _ -> assign_next_toehold d m + | Domain.Normal(Value.DomainS(_,_,s,_,_,_),_,_) -> + { m with assigned = (d,Some (List.head (parse_sequences s)))::m.assigned } + | Domain.Normal _ -> assign_next_specificity d m + +(* Add multiple new domains to the mapping. *) +let add_domains (m:mapping) (ds:domain list) = + Lib.fold_left add_domain m ds + +(* Produce a string representation of a mapping. *) +let display_mapping (m:mapping) = + let sorted = Lib.sort (fun x y -> compare (fst x) (fst y)) m.assigned in + (Lib.string_of_list (fun (d,s) -> (Domain.display_bare_domain d) + " --> (5\') " + (string_of_seqopt s)) " (3\')\n" sorted) + + (match sorted with [] -> "" | _ -> " (3')") + +(* **************************************************************************************************** *) + +(* Old code for generating random bases and sequences. *) +(* +let random_base () = + match Randomise.int 4 with + | 0 -> Adenine + | 1 -> Guanine + | 2 -> Cytosine + | 3 -> Thymine + | _ -> failwith "Sequence.random_base: random number greater than 3" + +let random_sequence (len:int) = Lib.make_list random_base len +let random_toehold () = let len = (Randomise.int 6)+4 in random_sequence len +let random_specificity () = let len = (Randomise.int 11)+20 in random_sequence len +*) diff --git a/ClassicDSD/ClassicDSDDotNet/sequence.fsi b/ClassicDSD/ClassicDSDDotNet/sequence.fsi new file mode 100644 index 0000000..e3c778b --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/sequence.fsi @@ -0,0 +1,24 @@ +module Microsoft.Research.DNA.Sequence +open Microsoft.Research.DNA + +(* DNA sequences and random generation thereof. *) +type domain = Domain.t +type dnabase = Adenine | Guanine | Cytosine | Thymine +type t = dnabase list +val complement : t -> t +val complement_dnabase : dnabase -> dnabase +val string_of_dnabase : dnabase -> string +val string_of_sequence : t -> string +type mapping = + { toeholds: string list + ; specificities: string list + ; assigned: (domain * t option) list } + +val empty : mapping +val initialise_mapping : Options.t -> mapping +val add_domains : mapping -> domain list -> mapping +val display_mapping : mapping -> string +val get_domain : mapping -> domain -> t option option + +//FD additions +val parse_sequence : string -> t \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/sequenceCalc.fs b/ClassicDSD/ClassicDSDDotNet/sequenceCalc.fs new file mode 100644 index 0000000..ee09c36 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/sequenceCalc.fs @@ -0,0 +1,640 @@ +[] +module Microsoft.Research.DNA.SequenceCalc +open Microsoft.Research.DNA +open Microsoft.Research.DNA.Measures + + +module Prim = Microsoft.Research.CRNEngine.Expression +type prim = Microsoft.Research.CRNEngine.Expression.t +module Species = Microsoft.Research.DNA.Species + +(* Functions to convert floats with units to raw floats *) +let entalpy (dH:float) = dH |> float |> Prim.Float +let entropy (dS:float) = dS |> float |> Prim.Float +let temperature (t:float) = t |> float |> Prim.Float // "T" |> Prim.Key +let e (_:float) = 2.7182818284590452353602 |> float |> Prim.Float // "e" |> Prim.Key +let r (_:float) = 1.9872041E-3 |> float |> Prim.Float // "R" |> Prim.Key +let KcalInCal (x:float) = x |> float |> Prim.Float +let CalInKcal (x:float) = x |> float |> Prim.Float +let prim_to_string = Prim.to_string id + +(* learning F#. Frits Dannenberg 20/08/2014 +Rip from DNA self-assembly project that I created. +Simple function that takes in sequence and produces dH, dS, dG, G37, G60 and unbinding rate +as a function of binding sequence, binding rate, salt concentration(s) and temperature + + FD: 2014/09/08: Extending class to contain new thermodynamic model suited to DSD, + created to automatically infer rates from a sequence-description of domains. + Consists of energy constants and related functions. *) + +// TYPES +type domain = Domain.t +type gibbs = { dG : float } with + override this.ToString() = sprintf "dG = %.4f%s" (float this.dG) " kcal/mol" +end + +type energy = { dH : float; dS : float } with +(* Member operator-overloads aren't support by WebSharper at present: https://github.com/intellifactory/websharper/issues/102#issuecomment-83112701 + static member (+) (a : energy, b: energy) = { dH = a.dH + b.dH; dS = a.dS + b.dS } + static member (-) (a : energy, b: energy) = { dH = a.dH - b.dH; dS = a.dS - b.dS } + static member (*) (a : energy, b: float) = { dH = b*a.dH; dS = b * a.dS } + static member (*) (b: float, a : energy) = { dH = b*a.dH; dS = b * a.dS } +*) + override this.ToString() = sprintf "dH = %f%s, dS = %f%s, dG37 = %f%s" (float this.dH) " kcal/mol" (float this.dS) " cal/(mol*K)" (float (this.dH - 0.001 * (273.15 + 37.0) * this.dS )) " kcal/mol-37" +end + +let energy_plus (a : energy) (b: energy) = { dH = a.dH + b.dH; dS = a.dS + b.dS } +let energy_minus (a : energy) (b: energy) = { dH = a.dH - b.dH; dS = a.dS - b.dS } +let energy_rmul (a : energy) (b: float) = { dH = b*a.dH; dS = b * a.dS } +let energy_lmul (b : float) (a: energy) = { dH = b*a.dH; dS = b * a.dS } + +type energyExpression = { dHE : prim; dSE : prim } with +(* + static member (+) (a : energyExpression, b: energyExpression) = { dHE = Prim.add a.dHE b.dHE; dSE = Prim.add a.dSE b.dSE } + static member (/) (b: energyExpression, a : energy) = { dHE = Prim.add (entalpy a.dH) b.dHE; dSE = Prim.add (entropy a.dS ) b.dSE } //FD: This used to be ++ instead of / + static member (-) (a : energyExpression, b: energyExpression) = { dHE = Prim.sub a.dHE b.dHE; dSE = Prim.sub a.dSE b.dSE } + static member (*) (a : energyExpression, b: float) = { dHE = Prim.mul (Prim.Float b) a.dHE; dSE = Prim.mul (Prim.Float b) a.dSE } + static member (*) (b: float, a : energyExpression) = { dHE = Prim.mul (Prim.Float b) a.dHE; dSE = Prim.mul (Prim.Float b) a.dSE } +*) + override this.ToString() = sprintf "dH = %s%s, dS = %s%s, dG = %f%s" (prim_to_string this.dHE) " kcal/mol" (prim_to_string this.dSE) " cal/(mol*K)" ( (float (prim_to_string this.dHE)) - 0.001 * (273.15 + 25.0) * (float (prim_to_string this.dSE) )) " kcal/mol - 25.0" // - 0.001 * (273.15 + 37.0) * (float (prim_to_string this.dSE) ) +end + +let energyExpression_plus (a : energyExpression) (b: energyExpression) = { dHE = Prim.add a.dHE b.dHE; dSE = Prim.add a.dSE b.dSE } +let energyExpression_div (b : energyExpression) (a: energy) = { dHE = Prim.add (entalpy a.dH) b.dHE; dSE = Prim.add (entropy a.dS ) b.dSE } +let energyExpression_minus (a : energyExpression) (b: energyExpression) = { dHE = Prim.sub a.dHE b.dHE; dSE = Prim.sub a.dSE b.dSE } +let energyExpression_rmul (a : energyExpression) (b: float) = { dHE = Prim.mul (Prim.Float b) a.dHE; dSE = Prim.mul (Prim.Float b) a.dSE } +let energyExpression_lmul (b : float) (a: energyExpression) = { dHE = Prim.mul (Prim.Float b) a.dHE; dSE = Prim.mul (Prim.Float b) a.dSE } + +type dnabase = Sequence.dnabase + + +// CONSTANTS +let calIntoKcal (input : float) = 0.001 * input +let kcalIntoCal (input : float) = 1000.0 * input + +let tempCintoK (input : float) = input * 1.0 + 273.15 + +let inferDSFromDG (input:float) temperature : energy = + {dH = 0.0; dS = (kcalIntoCal input) / -temperature} + +let inferDSEFromDGE (input:prim) t : energyExpression = + let newVal = Prim.div ( Prim.mul (KcalInCal 1000.0) input ) (temperature -t) in + {dHE = entalpy 0.0; dSE = newVal } + +let makeExpression (input: energy) : energyExpression = + {dHE = entalpy input.dH ; dSE = entropy input.dS } + + +let R = 1.9872 +let temp25C = 273.15 + 25.0 +let temp37C = 273.15 + 37.0 +let temp60C = 273.15 + 60.0 + +let diffCorrection (input:float) = inferDSFromDG input temp60C + +// SantaLucia 2004 constants +// Nearest Neighbours +let AA : energy = { dH = -7.6; dS = -21.3} +let AT : energy = { dH = -7.2; dS = -20.4} +let TA : energy = { dH = -7.2; dS = -21.3} +let CA : energy = { dH = -8.5; dS = -22.7} +let GT : energy = { dH = -8.4; dS = -22.4} +let CT : energy = { dH = -7.8; dS = -21.0} +let GA : energy = { dH = -8.2; dS = -22.2} +let CG : energy = { dH = -10.6; dS = -27.2} +let GC : energy = { dH = -9.8; dS = -24.4} +let GG : energy = { dH = -8.0; dS = -19.9} + +let init (opts:Options.t) : energy = { dH = 0.2; dS = -5.7} |> energy_plus <| diffCorrection (Options.getStabilityCorrection opts) +let termAT : energy = { dH = 2.2; dS = 6.9} +let termCG : energy = { dH = 0.0; dS = 0.0} +let empty : energy = { dH = 0.0; dS = 0.0} + +// salt correction +let concMg = 12.5E-3 // no units since they won't be used (here in M) +let concTris =0.5*40.0E-3 // no units since they won't be used (here in M) +let concNa = 0.0 // no units since they won't be used (here in M) +let preCalc = 0.5 * concTris + concNa + 3.3 * sqrt(concMg) +let saltCorr = (1.0 * 0.368 * System.Math.Log preCalc) // +let saltCorrectionPerNN : energy = { empty with dS = saltCorr} // FOR TESTING PUT SALTCORRECTION TO ZERO // +//let saltCorrectionPerNN : energy = { empty with dS = 0.0} + + + + + +// Dangling ends - Bommarito 2000 +// fiveXY means sequence 5'-XY-3' where 5'-X is dangling and Y is watson-crick base-paired +let fiveAA : energy = { dH = 0.2; dS = 2.3} +let fiveAC : energy = { dH = -6.3; dS = -17.1} +let fiveAG : energy = { dH = -3.7; dS = -10.0} +let fiveAT : energy = { dH = -2.9; dS = -7.6} +let fiveCA : energy = { dH = 0.6; dS = 3.3} +let fiveCC : energy = { dH = -4.4; dS = -12.6} +let fiveCG : energy = { dH = -4.0; dS = -11.9} +let fiveCT : energy = { dH = -4.1; dS = -13.0} +let fiveGA : energy = { dH = -1.1; dS = -1.6} +let fiveGC : energy = { dH = -5.1; dS = -14.0} +let fiveGG : energy = { dH = -3.9; dS = -10.9} +let fiveGT : energy = { dH = -4.2; dS = -15.0} +let fiveTA : energy = { dH = -6.9; dS = -20.0} +let fiveTC : energy = { dH = -4.0; dS = -10.9} +let fiveTG : energy = { dH = -4.9; dS = -13.8} +let fiveTT : energy = { dH = -0.2; dS = -0.5} + +// XYthree means sequence 5'-XY-3' where X is watson-crick base-paired and Y-3' is dangling +let TAthree : energy = { dH = -0.7; dS = -0.8} +let GAthree : energy = { dH = -2.1; dS = -3.9} +let CAthree : energy = { dH = -5.9; dS = -16.5} +let AAthree : energy = { dH = -0.5; dS = -1.1} +let TCthree : energy = { dH = 4.4; dS = 14.9} +let GCthree : energy = { dH = -0.2; dS = -0.1} +let CCthree : energy = { dH = -2.6; dS = -7.4} +let ACthree : energy = { dH = 4.7; dS = 14.2} +let TGthree : energy = { dH = -1.6; dS = -3.6} +let GGthree : energy = { dH = -3.9; dS = -11.2} +let CGthree : energy = { dH = -3.2; dS = -10.4} +let AGthree : energy = { dH = -4.1; dS = -13.1} +let TTthree : energy = { dH = 2.9; dS = 10.4} +let GTthree : energy = { dH = -4.4; dS = -13.1} +let CTthree : energy = { dH = -5.2; dS = -15.0} +let ATthree : energy = { dH = -3.8; dS = -12.6} + +// nicks 5'-XY-3' means there is a nick between base X and Y. dG_37 is given here (T=310K) +// FD: although these appear correlated, they are individual estimates for each situation. +// FD: Reduction to an essential 10 parameters is not appropriate here. (as the nick occurs at opposite sites) +// source: Protozanova 2004 +let nickAA : gibbs = {dG = -1.04} +let nickAT : gibbs = {dG = -1.27} +let nickAG : gibbs = {dG = -1.29} +let nickAC : gibbs = {dG = -2.04} +let nickTA : gibbs = {dG = -0.12} +let nickTT : gibbs = {dG = -1.04} +let nickTG : gibbs = {dG = -0.78} +let nickTC : gibbs = {dG = -1.66} +let nickGA : gibbs = {dG = -1.66} +let nickGT : gibbs = {dG = -2.04} +let nickGG : gibbs = {dG = -1.97} +let nickGC : gibbs = {dG = -2.70} +let nickCA : gibbs = {dG = -0.78} +let nickCT : gibbs = {dG = -1.29} +let nickCG : gibbs = {dG = -1.44} +let nickCC : gibbs = {dG = -1.97} + +// split gibbs free energy into dH dS assuming T= 37 C and dS = (0.0027 / K) dH +// this is from Zhang 2009, 0.0027 is fitted for data to compute dH dS from dG for nicked data (see above) +let interpolatedEnergy (input:gibbs) : energy = + let factor = 0.0027 in + let dHnew = input.dG / (1.0-temp37C*factor) in + let dSnew = factor * kcalIntoCal dHnew in + {dH = dHnew; dS = dSnew} + + + +// Thomas Ouldridge's experimental observations for single dangle and double dangle +//let coaxialDangleTerm = inferDSFromDG 1.2 temp25C //inferDSFromDG 1.2 temp25C ---double coaxial old value = 3.2 +//let doubleCoaxialDangleTerm = inferDSFromDG 3.2 temp25C + +let coaxialDangleTerm (opts:Options.t) = inferDSFromDG (Options.getCoaxialDangle opts) temp25C +let doubleCoaxialDangleTerm (opts:Options.t) = inferDSFromDG (Options.getDoubleCoaxialDangle opts) temp25C +let coaxialDangleFivePrimeCorrection (opts:Options.t) = inferDSEFromDGE ( Options.getCoaxialCorrection opts ) temp25C + + + +// FUNCTIONS + +let getEnergies l r = + match l, r with + | Sequence.Adenine, Sequence.Adenine -> AA |> energy_plus <| saltCorrectionPerNN + | Sequence.Thymine, Sequence.Thymine -> AA |> energy_plus <| saltCorrectionPerNN + | Sequence.Adenine, Sequence.Thymine -> AT |> energy_plus <| saltCorrectionPerNN + | Sequence.Thymine, Sequence.Adenine -> TA |> energy_plus <| saltCorrectionPerNN + | Sequence.Cytosine, Sequence.Adenine -> CA |> energy_plus <| saltCorrectionPerNN + | Sequence.Thymine, Sequence.Guanine -> CA |> energy_plus <| saltCorrectionPerNN + | Sequence.Guanine, Sequence.Thymine -> GT |> energy_plus <| saltCorrectionPerNN + | Sequence.Adenine, Sequence.Cytosine -> GT |> energy_plus <| saltCorrectionPerNN + | Sequence.Cytosine, Sequence.Thymine -> CT |> energy_plus <| saltCorrectionPerNN + | Sequence.Adenine, Sequence.Guanine -> CT |> energy_plus <| saltCorrectionPerNN + | Sequence.Guanine, Sequence.Adenine -> GA |> energy_plus <| saltCorrectionPerNN + | Sequence.Thymine, Sequence.Cytosine -> GA |> energy_plus <| saltCorrectionPerNN + | Sequence.Cytosine, Sequence.Guanine -> CG |> energy_plus <| saltCorrectionPerNN + | Sequence.Guanine, Sequence.Cytosine -> GC |> energy_plus <| saltCorrectionPerNN + | Sequence.Guanine, Sequence.Guanine -> GG |> energy_plus <| saltCorrectionPerNN + | Sequence.Cytosine, Sequence.Cytosine -> GG |> energy_plus <| saltCorrectionPerNN + +let dangleFive (opts:Options.t) l r = + let output = + match l, r with + | Sequence.Adenine, Sequence.Adenine -> fiveAA + | Sequence.Thymine, Sequence.Thymine -> fiveTT + | Sequence.Adenine, Sequence.Thymine -> fiveAT + | Sequence.Thymine, Sequence.Adenine -> fiveTA + | Sequence.Cytosine, Sequence.Adenine -> fiveCA + | Sequence.Thymine, Sequence.Guanine -> fiveTG + | Sequence.Guanine, Sequence.Thymine -> fiveGT + | Sequence.Adenine, Sequence.Cytosine -> fiveAC + | Sequence.Cytosine, Sequence.Thymine -> fiveCT + | Sequence.Adenine, Sequence.Guanine -> fiveAG + | Sequence.Guanine, Sequence.Adenine -> fiveGA + | Sequence.Thymine, Sequence.Cytosine -> fiveTC + | Sequence.Cytosine, Sequence.Guanine -> fiveCG + | Sequence.Guanine, Sequence.Cytosine -> fiveGC + | Sequence.Guanine, Sequence.Guanine -> fiveGG + | Sequence.Cytosine, Sequence.Cytosine -> fiveCC + + (Options.getTerminalDangleFactor opts) |> energy_lmul <| output + +let dangleThree (opts:Options.t) r l = // dangleThree X Y means 3'-X-Y-5' where X is dangling and Y is base-paired + let output = + match l, r with + | Sequence.Adenine, Sequence.Adenine -> AAthree + | Sequence.Thymine, Sequence.Thymine -> TTthree + | Sequence.Adenine, Sequence.Thymine -> ATthree + | Sequence.Thymine, Sequence.Adenine -> TAthree + | Sequence.Cytosine, Sequence.Adenine -> CAthree + | Sequence.Thymine, Sequence.Guanine -> TGthree + | Sequence.Guanine, Sequence.Thymine -> GTthree + | Sequence.Adenine, Sequence.Cytosine -> ACthree + | Sequence.Cytosine, Sequence.Thymine -> CTthree + | Sequence.Adenine, Sequence.Guanine -> AGthree + | Sequence.Guanine, Sequence.Adenine -> GAthree + | Sequence.Thymine, Sequence.Cytosine -> TCthree + | Sequence.Cytosine, Sequence.Guanine -> CGthree + | Sequence.Guanine, Sequence.Cytosine -> GCthree + | Sequence.Guanine, Sequence.Guanine -> GGthree + | Sequence.Cytosine, Sequence.Cytosine -> CCthree + + (Options.getTerminalDangleFactor opts) |> energy_lmul <| output + +let nick l r = // nick 5'-LEFT-'- RIGHT-3' + let nickTerm = + match l, r with + | Sequence.Adenine, Sequence.Adenine -> interpolatedEnergy nickAA + | Sequence.Thymine, Sequence.Thymine -> interpolatedEnergy nickTT + | Sequence.Adenine, Sequence.Thymine -> interpolatedEnergy nickAT + | Sequence.Thymine, Sequence.Adenine -> interpolatedEnergy nickTA + | Sequence.Cytosine, Sequence.Adenine -> interpolatedEnergy nickCA + | Sequence.Thymine, Sequence.Guanine -> interpolatedEnergy nickTG + | Sequence.Guanine, Sequence.Thymine -> interpolatedEnergy nickGT + | Sequence.Adenine, Sequence.Cytosine -> interpolatedEnergy nickAC + | Sequence.Cytosine, Sequence.Thymine -> interpolatedEnergy nickCT + | Sequence.Adenine, Sequence.Guanine -> interpolatedEnergy nickAG + | Sequence.Guanine, Sequence.Adenine -> interpolatedEnergy nickGA + | Sequence.Thymine, Sequence.Cytosine -> interpolatedEnergy nickTC + | Sequence.Cytosine, Sequence.Guanine -> interpolatedEnergy nickCG + | Sequence.Guanine, Sequence.Cytosine -> interpolatedEnergy nickGC + | Sequence.Guanine, Sequence.Guanine -> interpolatedEnergy nickGG + | Sequence.Cytosine, Sequence.Cytosine -> interpolatedEnergy nickCC + + 1.0 |> energy_lmul <| nickTerm + + + +let getTailEnergy dnabase = // terminal AT selector + match dnabase with + | Sequence.Adenine | Sequence.Thymine -> termAT + | Sequence.Cytosine | Sequence.Guanine -> termCG + +let rec freeEnergyProcessorOnlyNN (output : energy) (bases : dnabase list) = + match bases with + | [] -> output + | [_] -> output // single base, ignore terminal terms + | l :: tail -> freeEnergyProcessorOnlyNN (output |> energy_plus <| getEnergies l (List.head tail)) tail // at least two bases + + +let rec freeEnergyProcessor (output : energy) (bases : dnabase list) = + match bases with + | [l] -> output |> energy_plus <| (getTailEnergy l) // single base + | l :: tail -> freeEnergyProcessor (output |> energy_plus <| getEnergies l (List.head tail)) tail // at least two bases + | _ -> failwith "error in freeEnergyProcessor: this line should not be reached" // empty + +let freeEnergy (opts : Options.t) (bases: Sequence.dnabase list) = + let startEnergy = (init opts) |> energy_plus <| getTailEnergy (List.head bases) in + freeEnergyProcessor startEnergy bases + +let gTemp input (temp : float) : gibbs = { dG = (input.dH - calIntoKcal ( temp * input.dS)) } +let g37 (opts : Options.t) sequence = gTemp (freeEnergy opts sequence) temp37C +let g60 (opts : Options.t) sequence = gTemp (freeEnergy opts sequence) temp60C + +let freeEnergyFromString (input: string) = // helper function + let sequence = Sequence.parse_sequence input in + (freeEnergy Options.default_options sequence) + + +let unbindRate (temp : float) (rate : float) ( energy : energy ) = + let upper = (kcalIntoCal energy.dH) - (temp *energy.dS) in + let lower = R * temp in + let expVal = exp(upper / lower) in + (rate * expVal) + +let getDG ( temp : float ) ( input : energyExpression )= + let tempE = temperature temp in + Prim.sub input.dHE (Prim.mul tempE (CalInKcal 0.001) |> Prim.mul input.dSE) + +let exponent ( temp : float ) ( input : energyExpression ) = + let upper = getDG temp input in + let lower = Prim.mul (r 1000000000.0) (temperature temp) in + Prim.div upper lower + +let unbindRateExpression (temp : float) (rate : prim) ( input : energyExpression ) = + let factor = Prim.power (e 100000000.0) (exponent temp input) in // Prim.E returns mathematical e constant here + (Prim.mul rate factor) |> Prim.simplify + + +let unbindRateFromSequence (temp1 : float) (rate : float) (sequence : string) = + let freeEnergy = freeEnergyFromString sequence in + unbindRate temp1 rate freeEnergy + +let getDomain mapping input = + match Sequence.get_domain mapping input with + | Some (Some []) -> failwith "error in getDomain: empty sequence" // empty + | Some (Some bases) -> bases + | None + | Some None -> failwith "error in getDomain: sequence unknown" + +let selectLeftMostBase (mapping: Sequence.mapping) (input: Segment.domain) = +// FD: mapping already corrects for complement/star domains -- somehow the GUI does not reflect this, but either way we do not have to compensate for it here + + List.head (getDomain mapping input) + + + +let selectRightMostBase (mapping: Sequence.mapping) (input: Segment.domain) = + // FD: mapping already corrects for complement/star domains -- somehow the GUI does not reflect this, but either way we do not have to compensate for it here + + List.head (List.rev (getDomain mapping input)) + + +let leftMostBaseTop (mapping: Sequence.mapping) (dangle:Segment.domain list) = + match dangle with + | head :: _ -> selectLeftMostBase mapping head + | _ -> failwith " did not find base in top dangle -- are all domains mapped to a sequence? " + +let leftMostBaseBottom (mapping: Sequence.mapping) (dangle:Segment.domain list) = + match dangle with + | head :: _ -> selectRightMostBase mapping head + | _ -> failwith " did not find base in bottom dangle -- are all domains mapped to a sequence? " + + +let rightMostBaseTop (mapping: Sequence.mapping) (dangle:Segment.domain list) = + match dangle with + | _ :: _ -> selectRightMostBase mapping (List.head (List.rev dangle)) + | _ -> failwith " did not find base in top dangle -- are all domains mapped to a sequence? " + +let rightMostBaseBottom (mapping: Sequence.mapping) (dangle:Segment.domain list) = + match dangle with + | _ :: _ -> selectLeftMostBase mapping (List.head (List.rev dangle)) + | _ -> failwith " did not find base in top dangle -- are all domains mapped to a sequence? " + + +let rightTerminalTerm (mapping : Sequence.mapping) (dsSegment : Segment.domain list) = + getTailEnergy (rightMostBaseTop mapping dsSegment) + + +let leftTerminalTerm (mapping : Sequence.mapping) (dsSegment : Segment.domain list) = + getTailEnergy (leftMostBaseTop mapping dsSegment) + + +let dangleEnergyTopLeft (opts:Options.t) (mapping: Sequence.mapping) (dsSegments:Segment.domain list) (dangle:Segment.domain list) = + + let dangleBase = leftMostBaseTop mapping dangle in + let pairedBase = rightMostBaseTop mapping dsSegments in + + dangleThree opts dangleBase pairedBase |> energy_plus <| rightTerminalTerm mapping dsSegments // note: ignore terminal term for bottom strands as convention + + +let dangleEnergyTopRight (opts:Options.t) (mapping: Sequence.mapping) (dangle:Segment.domain list) (dsSegments:Segment.domain list) = + + let dangleBase = rightMostBaseTop mapping dangle in + let pairedBase = leftMostBaseTop mapping dsSegments in + + dangleFive opts dangleBase pairedBase |> energy_plus <| leftTerminalTerm mapping dsSegments // note: ignore terminal term for bottom strands as convention + + +let dangleEnergyBottomLeft (opts:Options.t) (mapping: Sequence.mapping) (dsSegments:Segment.domain list) (dangle:Segment.domain list) = + + let dangleBase = leftMostBaseBottom mapping dangle in + let pairedBase = rightMostBaseTop mapping dsSegments in + + dangleFive opts dangleBase (Sequence.complement_dnabase pairedBase) + + +let dangleEnergyBottomRight (opts:Options.t) (mapping: Sequence.mapping) (dangle:Segment.domain list) (dsSegments:Segment.domain list) = + + let dangleBase = rightMostBaseBottom mapping dangle + let pairedBase = leftMostBaseTop mapping dsSegments + + dangleThree opts dangleBase (Sequence.complement_dnabase pairedBase) + +let bottomDangleEnergyConnectedViaTop (opts:Options.t) (mapping: Sequence.mapping) leftDoubleStranded rightDoubleStranded bottomLeftDangle bottomRightDangle = + + let output = + match bottomLeftDangle with + | [] -> empty + | _ -> dangleEnergyBottomLeft opts mapping leftDoubleStranded bottomLeftDangle + + match bottomRightDangle with + | [] -> output + | _ -> output |> energy_plus <| dangleEnergyBottomRight opts mapping bottomRightDangle rightDoubleStranded + + +let topDangleEnergyConnectedViaTop (opts:Options.t) (mapping: Sequence.mapping) leftDoubleStranded rightDoubleStranded topDangle = + + // contributions from the top dangling strands + let output = dangleEnergyTopLeft opts mapping leftDoubleStranded topDangle + let output = output |> energy_plus <| dangleEnergyTopRight opts mapping topDangle rightDoubleStranded + + output + +let leftDangles (opts:Options.t) mapping topDangle bottomDangle doubleStranded = + + let output = + match topDangle with + | [] -> leftTerminalTerm mapping doubleStranded // terminal correction on top strand only + | _ -> dangleEnergyTopRight opts mapping topDangle doubleStranded + + match bottomDangle with + | [] -> output + | _ -> output |> energy_plus <| dangleEnergyBottomRight opts mapping bottomDangle doubleStranded + + + +let rightDangles (opts:Options.t) mapping topDangle bottomDangle doubleStranded = + + let output = + match topDangle with + | [] -> rightTerminalTerm mapping doubleStranded // terminal correction on top strand only + | _ -> dangleEnergyTopLeft opts mapping doubleStranded topDangle + + match bottomDangle with + | [] -> output + | _ -> output |> energy_plus <| dangleEnergyBottomLeft opts mapping doubleStranded bottomDangle + + + +let topDangleEnergyConnectedViaBottom (opts:Options.t) (mapping: Sequence.mapping) leftDoubleStranded rightDoubleStranded topLeftDangle topRightDangle = + + let output = + match topLeftDangle with + | [] -> empty + | _ -> dangleEnergyTopLeft opts mapping leftDoubleStranded topLeftDangle + + match topRightDangle with + | [] -> output + | _ -> output |> energy_plus <| dangleEnergyTopRight opts mapping topRightDangle rightDoubleStranded + + +let bottomDangleEnergyConnectedViaBottom (opts:Options.t) (mapping: Sequence.mapping) leftDoubleStranded rightDoubleStranded bottomDangle = + + // contributions from the top dangling strands + let output = dangleEnergyBottomLeft opts mapping leftDoubleStranded bottomDangle + let output = output |> energy_plus <| dangleEnergyBottomRight opts mapping bottomDangle rightDoubleStranded + + output + +let nickAtBottom (mapping: Sequence.mapping) (left:Segment.domain list) (right:Segment.domain list) : energy = +// a nick occurs at the bottom between the rightmost domain of the left dsSegment and the leftmost domain of the right dsSegment + + let leftBase = rightMostBaseTop mapping left in // top bases + let rightBase = leftMostBaseTop mapping right in // top bases, nick occurs at bottom + + nick (Sequence.complement_dnabase rightBase) (Sequence.complement_dnabase leftBase) + +let nickAtTop (mapping: Sequence.mapping) (left:Segment.domain list) (right:Segment.domain list) = +// a nick occurs at the top strand between the rightmost domain of the left dsSegment and the leftmost domain of the right dsSegment + + let leftBase = rightMostBaseTop mapping left in // top bases + let rightBase = leftMostBaseTop mapping right in // top bases, nick occurs at top + + nick leftBase rightBase + +let testCoaxialDangle left right = + + match left, right with + | [], [] -> false + | _, _ -> true + +let coaxialDangleTop (opts:Options.t) left right = + + match left, right with + | [], [] -> makeExpression empty + | _, [] -> (0.5 |> energyExpression_lmul <| coaxialDangleFivePrimeCorrection opts) |> energyExpression_div <| (coaxialDangleTerm opts) // left is dangling from 3' end + | [], _ -> (-0.5 |> energyExpression_lmul <| coaxialDangleFivePrimeCorrection opts) |> energyExpression_div <| coaxialDangleTerm opts // right is dangling from 5' end + | _, _ -> makeExpression (doubleCoaxialDangleTerm opts) + +let coaxialDangleBottom (opts:Options.t) left right : energyExpression = + + match left, right with + | [], [] -> makeExpression empty + | _, [] -> (-0.5 |> energyExpression_lmul <| coaxialDangleFivePrimeCorrection opts) |> energyExpression_div <| (coaxialDangleTerm opts) // left is dangling from 5' end + | [], _ -> (0.5 |> energyExpression_lmul <| coaxialDangleFivePrimeCorrection opts) |> energyExpression_div <| (coaxialDangleTerm opts) // right is dangling from 3' end + | _, _ -> makeExpression (doubleCoaxialDangleTerm opts) + + +let joinsViaTop (opts:Options.t) (leftSegment : Segment.t) (rightSegment : Segment.t) (mapping: Sequence.mapping) : energyExpression = +// two segments that are linked via top. Compute dangle and terminal terms, and if not dangling, compute nick energies. + + let leftDoubleStranded = Segment.double_stranded_region leftSegment + let rightDoubleStranded = Segment.double_stranded_region rightSegment + + let topDangle = Segment.top_right_overhang leftSegment @ Segment.top_left_overhang rightSegment + + let bottomLeftDangle = Segment.bottom_right_overhang leftSegment + let bottomRightDangle = Segment.bottom_left_overhang rightSegment + + match leftDoubleStranded, topDangle, rightDoubleStranded with + // empty double stranded domain on the left, so return free dangles top and bottom + | [], _ , _ -> makeExpression (leftDangles opts mapping topDangle bottomRightDangle rightDoubleStranded) + // empty double stranded domain on the right, so return free dangles top and bottom + | _ , _ , [] -> makeExpression (rightDangles opts mapping topDangle bottomLeftDangle leftDoubleStranded) + // the dangle contains no domains, so we are dealing with a nick. Return nicking energy + any coaxial dangling term + | _ , [], _ -> (coaxialDangleBottom opts bottomLeftDangle bottomRightDangle) |> energyExpression_div <| (nickAtBottom mapping leftDoubleStranded rightDoubleStranded) + // actual dangle found, return dangle energy from top + dangles on either left and right bottom + | _ , dangle, _ -> makeExpression (topDangleEnergyConnectedViaTop opts mapping leftDoubleStranded rightDoubleStranded dangle + |> energy_plus <| bottomDangleEnergyConnectedViaTop opts mapping leftDoubleStranded rightDoubleStranded bottomLeftDangle bottomRightDangle) + + + +let joinsViaBottom (opts:Options.t) (leftSegment: Segment.t) (rightSegment : Segment.t) (mapping: Sequence.mapping ) : energyExpression = +// two segments that are linked via bottom. Compute dangle and terminal terms, and if not dangling, compute nick energies. + + let leftDoubleStranded = Segment.double_stranded_region leftSegment in + let rightDoubleStranded = Segment.double_stranded_region rightSegment in + + let bottomDangle = Segment.bottom_right_overhang leftSegment @ Segment.bottom_left_overhang rightSegment in + + let topLeftDangle = Segment.top_right_overhang leftSegment in + let topRightDangle = Segment.top_left_overhang rightSegment in + + match leftDoubleStranded, bottomDangle, rightDoubleStranded with + // empty double stranded domain on the left, so return free dangles top and bottom + | [], _ , _ -> makeExpression (leftDangles opts mapping bottomDangle topRightDangle rightDoubleStranded) + // empty double stranded domain on the right, so return free dangles top and bottom + | _ , _ , [] -> makeExpression (rightDangles opts mapping bottomDangle topLeftDangle leftDoubleStranded) + // the dangle contains no domains, so we are dealing with a nick. Return nicking energy + any coaxial dangling term + | _ , [], _ -> coaxialDangleTop opts topLeftDangle topRightDangle |> energyExpression_div <| nickAtTop mapping leftDoubleStranded rightDoubleStranded + // actual dangle found, return dangle energy from top + dangles on either left and right bottom + | _ , dangle, _ -> makeExpression (bottomDangleEnergyConnectedViaBottom opts mapping leftDoubleStranded rightDoubleStranded dangle + |> energy_plus <| topDangleEnergyConnectedViaBottom opts mapping leftDoubleStranded rightDoubleStranded topLeftDangle topRightDangle) + + + +let rec appendSequence (domainList : Segment.domain list) (mapping: Sequence.mapping) (output:dnabase list) = + + match domainList with + | [] -> output + | head::tail -> output @ (getDomain mapping head) + |> appendSequence tail mapping + + +let NNTermsInSegment (segment:Segment.t) (mapping: Sequence.mapping) = +// takes the segment, returns summation of nearest neighbour energy terms + + let dsDomains = Segment.double_stranded_region segment in + let sequence = appendSequence dsDomains mapping List.empty in + freeEnergyProcessorOnlyNN empty sequence + + +let rec segmentIterator (opts: Options.t) (gate : Gate.t) (mapping: Sequence.mapping) (input: energyExpression) = +// maps all segments in the gate to a free energy + + match gate with + // Option 1. Final segment, and no other inner-list to follow up. The final segment is empty per contract. + | [[_]] -> input + // Option 2. Final segment of inner-list with another inner-list available, so joins via top. + | [head] :: other -> (input |> energyExpression_plus <| (joinsViaTop opts head (List.head (List.head other)) mapping |> energyExpression_div <| NNTermsInSegment head mapping)) + |> segmentIterator opts other mapping + // Option 3. Two segments exist in an innerlist, so they join via the bottom. + | (head :: tail) :: other -> (input |> energyExpression_plus <| (joinsViaBottom opts head (List.head tail) mapping |> energyExpression_div <| NNTermsInSegment head mapping)) + |> segmentIterator opts (tail :: other) mapping + | _ -> failwith "should not reach - segment iterator" + + +let initializeTerms (opts:Options.t) gate = // init terms, one for each strand that is bound to the gate + + let strandList = Species.melt (Species.GATE gate) in + let strandCount = List.length strandList in + + (init opts) |> energy_rmul <| (float (strandCount-1)) + + +let getGateEnergy (opts: Options.t) (mapping: Sequence.mapping) (gate : Gate.t) = + + let output = makeExpression (initializeTerms opts gate) in + + let appendedGate = ([Segment.empty] :: gate) in + let appendedGate = appendedGate @ [[Segment.empty]] in + + let output = segmentIterator opts appendedGate mapping output in + + output + + +let getSpeciesEnergy (opts:Options.t) (mapping: Sequence.mapping) (species : Species.t) = + + match species with + | Species.GATE g -> getGateEnergy opts mapping g + | Species.STRAND _ -> makeExpression (empty) + | _ -> failwith "only gates supported for energy calculation" + + diff --git a/ClassicDSD/ClassicDSDDotNet/sequenceCalc.fsi b/ClassicDSD/ClassicDSDDotNet/sequenceCalc.fsi new file mode 100644 index 0000000..bc57c7d --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/sequenceCalc.fsi @@ -0,0 +1,52 @@ +module Microsoft.Research.DNA.SequenceCalc +open Microsoft.Research.DNA + +open Microsoft.Research.DNA.Measures + +type prim = Microsoft.Research.CRNEngine.Expression.t +module Species = Microsoft.Research.DNA.Species + +(* Simple function that takes in sequence and produces dH, dS, dG, G37, G60 and unbinding rate + as a function of binding sequence, binding rate, salt concentration(s) and temperature *) + +type domain = Domain.t +type energy = { dH : float; dS : float }(* with + static member (+) : energy * energy -> energy + static member (-) : energy * energy -> energy + static member (*) : float * energy -> energy + static member (*) : energy * float -> energy +*) + +type energyExpression = { dHE : prim; dSE : prim }(* with + static member (+) : energyExpression * energyExpression -> energyExpression + static member (/) : energyExpression * energy -> energyExpression //FD: This used to be ++ instead of / + static member (-) : energyExpression * energyExpression -> energyExpression + static member (*) : float * energyExpression -> energyExpression + static member (*) : energyExpression * float -> energyExpression +*) +val energyExpression_plus : a:energyExpression -> b:energyExpression -> energyExpression +val energyExpression_div : b:energyExpression -> a:energy -> energyExpression +val energyExpression_minus : a:energyExpression -> b:energyExpression -> energyExpression +val energyExpression_rmul : a:energyExpression -> b:float -> energyExpression +val energyExpression_lmul : b:float -> a:energyExpression -> energyExpression + +type gibbs = {dG : float} +val temp37C : float +val temp25C : float +val temp60C : float + +val tempCintoK : float -> float +val getEnergies : Sequence.dnabase -> Sequence.dnabase -> energy +val freeEnergy : Options.t -> Sequence.t -> energy +val g37 : Options.t -> Sequence.t -> gibbs +val g60 : Options.t -> Sequence.t -> gibbs +val getGateEnergy : Options.t -> Sequence.mapping -> Gate.t -> energyExpression +val getSpeciesEnergy : Options.t -> Sequence.mapping -> Species.t -> energyExpression +val unbindRate : float -> float -> energy -> float +val unbindRateExpression : float -> prim -> energyExpression -> prim +//val unbindRateMaximizedExpression : float -> prim -> energyExpression -> prim +val unbindRateFromSequence : float -> float -> string -> float +val getDomain : Sequence.mapping -> Sequence.domain -> Sequence.t +//val getDG : float -> energyExpression -> prim +val gTemp : energy -> float -> gibbs + diff --git a/ClassicDSD/ClassicDSDDotNet/species.fs b/ClassicDSD/ClassicDSDDotNet/species.fs new file mode 100644 index 0000000..bf25c02 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/species.fs @@ -0,0 +1,539 @@ +[] +module Microsoft.Research.DNA.Species +open Microsoft.Research.DNA +open System.Diagnostics + +type Population<'a,'b> = Microsoft.Research.CRNEngine.Population<'a,'b> +type Populations<'a,'b> when 'a:equality = Microsoft.Research.CRNEngine.Populations<'a,'b> +module Stringmap = Microsoft.Research.CRNEngine.Stringmap +module Lib = Microsoft.Research.CRNEngine.Lib +module BMEValue = Microsoft.Research.CRNEngine.Expression +type prim = Microsoft.Research.CRNEngine.Expression.t + +type options = Options.t +type key = string +type domain = Domain.t +type strand = Strand.t +//type branch = Branch.t +type origami = Origami.t + +[] // displays meaningful information in debug mode +type t = STRAND of strand + | GATE of Gate.t + (*COMPLEX of branch |*) + | ORIGAMI of origami + | UNKNOWN of string + | LogicDsdProcess of RulesDSD.Syntax.Process + member this.DisplayMe() = match this with + | STRAND s -> Strand.display s + | GATE g -> Gate.display g + //| COMPLEX b -> Branch.display b + | ORIGAMI ts -> Origami.display ts + | UNKNOWN s -> s + | LogicDsdProcess p -> RulesDSD.Syntax.Process.ToStringWith Microsoft.Research.DNA.LogicDSD.engine p + +type sim_t = Population + +type t_map = (t * prim * bool * bool * prim option * Microsoft.Research.CRNEngine.Spatial_initial.t option) +type t_disp = Names of string Stringmap.t * int +type t_env = (t_map list Stringmap.t * t_disp) + +(* Decide whether a given species is a gate, a strand, or an origami *) +let is_strand = function STRAND _ -> true | _ -> false +let is_gate = function GATE _ -> true | _ -> false (*To be deprecated for below*) +//let is_complex = function COMPLEX _ -> true | _ -> false +let is_origami = function ORIGAMI _ -> true | _ -> false + +(* Produce a string representation of a species. *) +let display = function + STRAND s -> Strand.display s + | GATE g -> Gate.display g + //| COMPLEX b -> Branch.display b + | ORIGAMI ts -> Origami.display ts + | UNKNOWN s -> s + | LogicDsdProcess p -> sprintf "[%s]" (RulesDSD.Syntax.Process.ToStringWith Microsoft.Research.DNA.LogicDSD.engine p) + + +(* Produce the name associated with a species, if allowed by opts and check_opts, otherwise return display string *) +let display_name (opts:options) ((_,Names(env,_)):t_env) (check_opts:bool) (sp:t) = + let disp = display sp in + let name = if Stringmap.inDomain env disp then Stringmap.find disp env else disp in + if (check_opts && Options.getPlotNames opts || not check_opts) then name else disp + +let try_find_name (_:options) ((_,Names(env,_)):t_env) (_:bool) (sp:t) = + let disp = display sp in + if Stringmap.inDomain env disp then Some (Stringmap.find disp env) else None + +(* +let display_name (opts:options) ((_,Names(env,_)):t_env) (sp:t) = + let disp = display sp in + Stringmap.tryFind disp env + +let display_ad_opts (opts:options) ((_,Names(env,_)):t_env) (sp:t) = + let disp = display sp in + if Options.getPlotNames opts then match Stringmap.tryFind disp env with + | Some n -> n + | none -> disp + else disp + *) + +(* Convert a species into its standard form, according to the semantics. *) +let rec standard_form (opts:options) (i:t) = + match i with + | STRAND s -> STRAND (Strand.standard_form s) + | GATE g -> GATE (Gate.standard_form opts g) +// | COMPLEX b -> COMPLEX (Branch.standard_form opts b) + | ORIGAMI sps -> ORIGAMI (Origami.standard_form opts sps) + | UNKNOWN s -> UNKNOWN s + | LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD" + +let rotate opts = function + | STRAND s -> STRAND (Strand.rotate s) + | GATE g -> GATE (Gate.rotate opts g) +//| COMPLEX b -> COMPLEX (Branch.rotate opts b) + | ORIGAMI sps -> ORIGAMI (Origami.rotate opts sps) + | UNKNOWN s -> UNKNOWN s + | LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD" + +(* Does species i' match the "pattern" i? *) +let rec matches (opts:options) (i:t) (i':t) = + //let (debugi, debugii) = (display i),(display i') in + match (standard_form opts i),(standard_form opts i') with + | STRAND s, STRAND s2 -> Strand.matches s s2 + | GATE g, GATE g2 -> Gate.matches opts g g2 +// | COMPLEX b, COMPLEX b2 -> Branch.matches opts b b2 + | ORIGAMI ts, ORIGAMI ts2 -> Origami.matches opts ts ts2 + | UNKNOWN a, UNKNOWN a2 -> a = a2 + | _ -> false + +(* Is there an extension to env such that species i' matches the "pattern" i? *) +let rec matches_env (opts:options) env (i:t) (i':t) = + //let (debugi, debugii) = (display i),(display i') in + match (standard_form opts i),(standard_form opts i') with + | STRAND s, STRAND s2 -> Strand.matches_env env s s2 + | GATE g, GATE g2 -> Gate.matches_env opts env g g2 +// | COMPLEX b, COMPLEX b2 -> Branch.matches_env opts env b b2 + | ORIGAMI ts, ORIGAMI ts2 -> Origami.matches_env opts env ts ts2 + | UNKNOWN a, UNKNOWN a2 -> if a = a2 then Some env else None + | _ -> None + +let is_predicate = function + | STRAND s -> Strand.has_wildcard s + | GATE g -> Gate.has_wildcard g +// | COMPLEX b -> Branch.has_wildcard b + | ORIGAMI o -> Origami.has_wildcard o + | UNKNOWN _ -> false + | LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD" + +(* Are two species equal, up to physical rotation of a complex *) +let rec equal (opts:options) (i:t) (i':t) = + match i,i' with + | STRAND s, STRAND s2 -> Strand.equal s s2 + | GATE g, GATE g2 -> Gate.equal opts g g2 +// | COMPLEX b, COMPLEX b2 -> Branch.equal opts b b2 + | ORIGAMI ts, ORIGAMI ts2 -> Origami.equal opts ts ts2 + | UNKNOWN s, UNKNOWN s2 -> s=s2 + | _ -> false + +(* Add a species (potentially combining population counts) to a species map list *) +let rec add opts sps_lst (s,pop,c,plt,t,sp) = + match sps_lst with + | [] -> [s,pop,c,plt,t,sp] + | (s_n,pop_n,c_n,plt_n,t_n,sp_n)::sps -> if equal opts s s_n && t = t_n && sp = sp_n + then (s_n,BMEValue.add pop_n pop |> BMEValue.simplify,c||c_n,plt_n||plt,t_n,sp_n)::sps + else (s_n,pop_n,c_n,plt_n,t_n,sp_n)::(add opts sps (s,pop,c,plt,t,sp)) + +(* an empty species environment, with given species count *) +let empty_env c = (Stringmap.empty : t_map list Stringmap.t), Names(Stringmap.empty, c) + +(* If n is in name to species environment, remove it and return the mapped species and the new env*) +let env_mem_name n (spec_env,name_env) = + match Stringmap.tryFind n spec_env with + | None -> None + | Some(sps) -> Some(sps, (Stringmap.remove n spec_env,name_env)) +(* Is s in species to name environment? *) +let env_mem_species s (_,Names(name_env,_)) = Option.isSome (Stringmap.tryFind (display s) name_env) + +(* Combine species environments, where env1 is a "newer" environment than env2 *) +let union_env opts ((s_env1,n_env1:t_disp):t_env (*as env1*)) ((*(s_env2,n_env2) as*) env2) = + let rec st_count_lst = function + [] -> [] + | (s,_:prim,_:bool,_:bool,_,_(*spatial initial option*))::lst -> (s,display s,List.length lst)::(st_count_lst lst) in + let rec merge (e1_lst,n_env1:t_disp) ((s_e2,Names(n_env2,c2)) as e2) = + match e1_lst with + | [] -> e2 + | (n,sps)::e1_lst -> + let s_e2_n,sps_c = (match env_mem_name n e2 with + | None -> (Stringmap.add n sps s_e2),0 + | Some(sps2,_) -> (Stringmap.add n (Lib.fold_left (add opts) sps sps2) s_e2),(List.length sps2)) in + let n_env2_n,cn = Lib.fold_right + (fun (sp,s,sc) (n_env_n,c_n) -> if env_mem_species sp (s_e2,Names(n_env_n,c_n)) then n_env_n,c_n + else if n = "%" then (Stringmap.add s ("sp_" + string c_n)n_env_n,c_n+1) + else if sc=0 && sps_c = 0 then (Stringmap.add s n n_env_n,c_n) + else (Stringmap.add s (n + "_" + string (sc + sps_c)) n_env_n,c_n)) + (st_count_lst sps) (n_env2,c2) in + merge (e1_lst,n_env1) (s_e2_n,Names(n_env2_n,cn)) + in + merge ((List.map (fun n -> (n,Stringmap.find n s_env1)) (Stringmap.getKeys s_env1)),n_env1) env2 + +(* Add a sim_species, name and plot flag to the species environments *) +let add_env (opts : options) (n : string) ((s,_,_,_,_,_) as sp: t_map) ((species_env,Names(name_env,c)) as env :t_env)= + let name,c_n = if n="%" then ("sp_" + string c),c+1 else n,c in + match env_mem_name n env, env_mem_species s env with + None,false -> Stringmap.add n [sp] species_env, Names(Stringmap.add (display s) name name_env,c_n) + | None,true -> Stringmap.add n [sp] species_env,Names(name_env,c) + | Some(sps2,(senv,Names(nenv,c))), false -> let z = add opts sps2 + Stringmap.add n (z sp) senv, + (*NB Consider what to do if n_i is already in table, escalating _?*) + if n="%" then Names(Stringmap.add (display s) name name_env,c_n) + else Names(Stringmap.add (display s) (name + "_" + string (List.length sps2)) nenv,c) + | Some(sps2,(species_env,name_env)),true -> Stringmap.add n (add opts sps2 sp) species_env, name_env + +(* map f over the sim species in the environment *) +let env_map (f: t_map -> t_map) ((s_env,n_env) : t_env) = Stringmap.map (fun _ sps -> List.map f sps) s_env, n_env + +(* extract all sim_species from an env *) +let env_to_species ((s_env,_) : t_env) = + let rec add (si :sim_t, t : prim option) (ses: (sim_t * prim option) list) = + match ses with + | [] -> [si, t] + | (si2,t2)::species -> + if si.species=si2.species && si.constant=si2.constant && t=t2 then + ( { Population.species = si2.species + ; Population.value = BMEValue.add si.value si2.value + ; Population.constant = si.constant + ; Population.input = si.input + ; Population.initial = si.initial + ; Population.spatial_initial = si.spatial_initial + ; Population.max = si.max } + , t)::species + else (si2,t2)::(add (si,t) species) + + let m = (Stringmap.fold (fun l _ sps -> sps@l) [] s_env) + let m' = + m |> List.map + (fun (s,p,c,_,t,sp) -> + { Population.species = s + Population.value = p + Population.constant = c + Population.input = true + Population.initial = true + Population.spatial_initial = sp + Population.max = None }, t) + Lib.fold_left (fun l si -> add si l) [] m' + +(*extract all plotted species from an env*) +let env_to_plot_species ((s_env,_) : t_env) = + List.map (fun (s,_,_,_,_,_) -> s) (List.filter (fun (_,_,_,b,_,_) -> b) (Stringmap.fold (fun l _ sps -> sps@l) [] s_env)) + +(* Look for any neighbouring exposed toeholds in a species. *) +let rec neighbouring_toeholds i = + match i with + | STRAND s -> [Strand.neighbouring_toeholds s] + | GATE g -> [Gate.neighbouring_toeholds g] + // | COMPLEX b -> [Branch.neighbouring_toeholds b] + | ORIGAMI sps -> Origami.neighbouring_toeholds sps + | UNKNOWN _ -> [] + | LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD" + +(* Compute the list of exposed non-toeholds in a species. *) +let rec exposed_nontoeholds (i:t) = + match i with + | STRAND s -> Strand.exposed_nontoeholds s + | GATE g -> Gate.exposed_nontoeholds g +// | COMPLEX b -> Branch.exposed_nontoeholds b + | ORIGAMI sps -> Origami.exposed_nontoeholds sps + | UNKNOWN _ -> [] + | LogicDsdProcess _ -> [] + +(* Try to find a non-toehold domain "a" where both "a" and "a*" appear exposed. + * Raise an error if such a domain exists. *) +let check_interacting_nontoeholds (is:t list) : unit = + (* Get the list of exposed non-toeholds in the gates and strands. *) + let exposed = Lib.collect exposed_nontoeholds is in + (* Loop through the list and return the first element (if any) that also appears complemented. *) + let rec loop = function + | [] -> None + | (d::ds) -> if (Lib.contains (Domain.complement d) ds) then Some d else loop ds + in + match loop exposed with + | None -> () + | Some d -> Errors.interacting_nontoehold_error (Domain.display (Domain.unstar d)) (Domain.display (Domain.star d)) + +(* Check for any neighbouring exposed toeholds, throwing an exception if any are found. *) +(* +let check_neighbouring_toeholds (is:t list) : unit = + match Lib.lookForSome (fun i -> match neighbouring_toeholds i with None -> None | Some(t1,t2) -> Some(i,t1,t2)) is with + | None -> () + | Some (i,t1,t2) -> Errors.neighbouring_toeholds_error (display i) (Domain.display t1) (Domain.display t2) +*) + +(* Check a list of species to see that they meet certain syntactic criteria. *) +let check (is:t list) : unit = begin check_interacting_nontoeholds is (*; check_neighbouring_toeholds is*) end + +(* Collect all the domains in a species. *) +let rec domains (i:t) = + match i with + | STRAND s -> Strand.domains s + | GATE g -> Gate.domains g +// | COMPLEX b -> Branch.domains b + | ORIGAMI sps -> Origami.domains sps + | UNKNOWN _ -> [] + | LogicDsdProcess p -> + p + |> RulesDSD.Syntax.Process.ToList + |> List.collect (List.map (fun x -> + match x with + | Microsoft.Research.DNA.LogicDSD.SiteT.Site (Microsoft.Research.DNA.LogicDSD.Bound (Microsoft.Research.DNA.LogicDSD.Dom d, _)) + | Microsoft.Research.DNA.LogicDSD.SiteT.Site (Microsoft.Research.DNA.LogicDSD.Unbound (Microsoft.Research.DNA.LogicDSD.Dom d)) -> + let dom = Value.Domain(d.name, 0, Microsoft.Research.CRNEngine.Expression.Float 0.0, Microsoft.Research.CRNEngine.Expression.Float 0.0, None) + if d.isToehold + then Domain.t.Toe(dom, Value.Float(1.0, None), d.isComplementary, None) + else Domain.t.Normal(dom, d.isComplementary, None) + | _ -> failwith "Unexpected uninstantiated Logic DSD process.")) + +(** Get all "initial" unary reactions on a species. *) +let initial_reactions sub_map (opts:options) (i:t) : t list list = + match i with + | STRAND _ -> [] + | GATE g -> List.map (fun (gs,ss) -> (List.map GATE gs)@(List.map STRAND ss)) (Gate.initial_reactions sub_map opts g) +// | COMPLEX b -> List.map (fun (bs,ss) -> (List.map (fun b->COMPLEX b) bs)@(List.map (fun s -> STRAND s) ss)) (Branch.initial_reactions sub_map opts b) + | ORIGAMI _ -> [] (* Determine if there should be some *) + | UNKNOWN _ -> [] + | LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD" + +(** Collate a list of branches, a list of gates (which should be folded into branches), a list of strands, and a list of origami into a single list of species. *) +let collate (*cs:branch list*) (gs:Gate.t list) (ss:strand list) (os: origami list): t list = + (List.map GATE gs)@(List.map STRAND ss)@(List.map ORIGAMI os) + +(** Separate a single list of species into a list of branches, a list of gates (which should be folded into branches), a list of strands, and a list of origami. *) +let separate (is:t list) : (*branch list *) Gate.t list * strand list * origami list = + Lib.fold_left + (fun (gs,ss,os) i -> + match i with + | GATE g -> (gs@[g],ss,os) + //| COMPLEX b -> (cs@[b],gs,ss,os) + | STRAND s -> (gs,ss@[s],os) + | ORIGAMI o -> (gs,ss,o::os) + | UNKNOWN _ -> (gs,ss,os) + | LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD") + ([],[],[]) is + +(** Separate an association list keyed by species into four association lists. *) +let separate_assocs (ixs:(t * 'a) list) : (*branch * 'a) list *) (Gate.t * 'a) list * (strand * 'a) list * (origami * 'a) list = + Lib.fold_left + (fun (gxs,sxs,oxs) (i,x) -> + match i with + | GATE g -> (gxs@[(g,x)], sxs,oxs) + //| COMPLEX b -> (cxs@[b,x],gxs,sxs,oxs) + | STRAND s -> (gxs,sxs@[(s,x)],oxs) + | ORIGAMI o -> (gxs,sxs,(o,x)::oxs) + | UNKNOWN _ -> (gxs,sxs,oxs) + | LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD") + ([],[],[]) ixs + +(* Is a species "reactive"? A syntactic approximation to reactivity as defined by the reaction rules... *) +let rec is_reactive sub_map (opts:options) (i:t) = + match i with + | STRAND s -> Strand.is_reactive s + | GATE g -> Gate.is_reactive sub_map opts g + //| COMPLEX b -> Branch.is_reactive sub_map opts b + | ORIGAMI sps -> Origami.is_reactive sub_map opts sps + | UNKNOWN _ -> false + | LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD" + +(**************************************************************************************************************) + +(* Types for raw species, as produced by the parser. *) +type raw = t * ((bool * t) list) * Types.range +//type raw_branch = RawBranch of raw * Branch.connection option * (raw_branch * Branch.connection option) list + +(* Convert a raw species into a proper one, checking for well-formedness along the way. *) +let convert_raw_gate ((seg,segs,r):raw) : t = + let f acc (isUpper,seg) = + match acc,isUpper,seg with + | (GATE g),isUpper,(GATE g') -> GATE(Gate.join g isUpper g') + | (GATE g),false,(STRAND(Strand.Lower s')) -> GATE(Gate.append_strand_to_gate g (Strand.Lower s')) + | (GATE g),true,(STRAND(Strand.Upper s')) -> GATE(Gate.append_strand_to_gate g (Strand.Upper s')) + | (STRAND(Strand.Lower s)),false,(GATE g') -> GATE(Gate.cons_strand_to_gate (Strand.Lower s) g') + | (STRAND(Strand.Upper s)),true,(GATE g') -> GATE(Gate.cons_strand_to_gate (Strand.Upper s) g') + | (STRAND(Strand.Lower s)),false,(STRAND(Strand.Lower s')) -> STRAND(Strand.append (Strand.Lower s) (Strand.Lower s')) + | (STRAND(Strand.Upper s)),true,(STRAND(Strand.Upper s')) -> STRAND(Strand.append (Strand.Upper s) (Strand.Upper s')) + | _,_,_ -> Errors.syntax_error (Types.rangeBegin r) (Types.rangeEnd r) "Malformed gate" + + Lib.fold_left f seg segs +(* +let convert_raw_branch raw_b = + let convert_sub (top:bool) raw_sp r = + let sp = convert_raw_gate raw_sp in + (match sp with + | STRAND s -> if top then STRAND s else Errors.syntax_error (Types.rangeBegin r) (Types.rangeEnd r) "Malformed strand" + | GATE g -> if top then GATE g else COMPLEX(Branch.Solo(g)) + | _ -> Errors.syntax_error (Types.rangeBegin r) (Types.rangeEnd r) "Malformed branch") + in + let rec convert_internal (top:bool) = function + | RawBranch(((_,_,r) as raw_s),None,[]) -> convert_sub top raw_s r + | RawBranch(((_,_,r) as raw_s),Some(i,u,l),raw_cogs) -> + let connect i = function + | Branch.ConnectsTo _ -> Branch.ConnectsTo i + | Branch.BreaksTo _ -> Branch.BreaksTo i in + let rec first_pass i = function + | [] -> [] + | (COMPLEX(b),Some(_,u,l))::cogs -> (b,(i,u,l))::(first_pass (1+i) cogs) + | c:(t*(Branch.connection option))::cs -> failwith "convert_internal failed to eliminate strands from a branch" + in + let rec second_pass upper f_lower = function + | [] -> [] + | [(b : branch,(j,u:Branch.joined,l))] -> [(b,(j,upper,f_lower))] + | (b,(j,u,l))::cogs -> (b,(j,upper,(connect (j+1) l)))::(second_pass (connect j l) f_lower cogs) + in + let cog = convert_sub false raw_s r in + let complex = match cog with COMPLEX(Branch.Solo(c)) -> c | c -> failwith "convert_internal failed" in + let cogs = List.map (fun (rb,c) -> convert_internal false rb,c) raw_cogs in + let identified_cogs = first_pass 1 cogs in + let connected_cogs = second_pass (connect i u) (connect i l) identified_cogs in + (*TODO: need to orient based on least cog(s) *) + COMPLEX(Branch.Branch((complex,(i,u,l)),connected_cogs,1)) + | RawBranch((_,_,r),_,_) -> Errors.syntax_error (Types.rangeBegin r) (Types.rangeEnd r) "Malformed branch" + in + convert_internal true raw_b +*) +let compare (l : t) (r : t) : int = + match l,r with + | STRAND(sl),STRAND(sr) -> Strand.compare sl sr + | GATE(gl),GATE(gr) -> Gate.compare gl gr + // | COMPLEX(bl),COMPLEX(br) -> Branch.compare bl br + | STRAND _ , GATE _ (*| STRAND _,COMPLEX _*) -> -1 + | GATE _ , STRAND _ (*|COMPLEX _, STRAND _*) -> 1 + (* + | GATE _, COMPLEX _ -> -1 + | COMPLEX _ , GATE _ -> 1 + *) + | ORIGAMI _, _ | _, ORIGAMI _ | UNKNOWN _, _ | _, UNKNOWN _ -> 0 + | LogicDsdProcess _, _ + | _, LogicDsdProcess _ -> failwith "Logic DSD complexes are not supported in Classic DSD" + +(* Convert a list of species into an origami, for the parser *) +let convert_raw_origami (spe : t list) = + let gates,strands,_ = separate spe in + (gates |> List.map Origami.C_gate) @ (strands |> List.map Origami.C_strand) + +(* Helpers for melting + +Test with + {x*}[z^*x]{z1^x1}::{y^z1}[y]{x*} + + directive polymers + {z}::{y}[x]{x}::{x^}[z^]{x}:{z^*}[z^]{y^} +*) +type gate_strands = + | Two of domain list * domain list (* upper, lower *) + | One of domain list (* as lower *) + +let melt_segment = function + | Segment.Double (lb, lt, sh, rt, rb) -> + let sht, shb = Domain.unstick_list sh in + let top = List.concat [lt; sht; rt] in //reconstruct top strand + let bot = List.concat [lb; shb; rb] in //reconstruct bottom strand + Two (top, bot) + | Segment.Hairpin (rb,rt,sh,hp,Segment.Left) -> + let sht, shb = Domain.unstick_list sh in + let bot = List.concat [List.rev rt; List.rev sht; hp; shb; rb] in //reconstruct bottom strand + One bot + | Segment.Hairpin (lb,lt,sh,hp,Segment.Right) -> + let sht, shb = Domain.unstick_list sh in + let bot = List.concat [lb; shb; hp; List.rev sht; List.rev lt] in //reconstruct bottom strand + One bot + +let strand_to_lower s = + match s with + | Strand.Upper _ -> s + | Strand.Lower _ -> Strand.rotate s + +(* returns the view from the right and the set of loose strands *) +let connect_lower a b = + match a, b with + | One _, One _ -> failwith "circular DNA" + | One l1, Two (u, l2) -> Two (u, l1 @ l2), [] + | Two (u, l1), One l2 -> One (l1 @ l2), [Strand.Upper u] + | Two (u1, l1), Two (u2, l2) -> Two (u2, l1 @ l2), [Strand.Upper u1] + +(* returns the view from the right and the set of loose strands *) +let connect_upper a b = + match a, b with + | One _, One _ -> failwith "circular DNA" + | One l1, Two (u, l2) -> Two ((List.rev l1) @ u, l2), [] + | Two (u, l1), One l2 -> One (l2 @ (List.rev u)), [Strand.Lower l1] + | Two (u1, l1), Two (u2, l2) -> Two (u1 @ u2, l2), [Strand.Lower l1] + +let rec melt_gate g = + let collect_lower gs segs = + let gss = List.map melt_segment segs in + let f (prev_gs, ss) gs = + let (next_gs, extra_ss) = connect_lower prev_gs gs in + next_gs, extra_ss @ ss in + Lib.fold_left f gs gss in + let collect_upper gs segss = + let f (prev_gs, ss) = function + | [] -> prev_gs, ss + | seg::segs -> + let gs = melt_segment seg in + let (next_gs, extra_ss) = connect_upper prev_gs gs in + collect_lower (next_gs, extra_ss @ ss) segs in + Lib.fold_left f gs segss in + match g with + | [] -> [] + | []::segs -> melt_gate segs + | (seg::segs)::segss -> + let lowers = collect_lower (melt_segment seg, []) segs in + let gs, ss = collect_upper lowers segss in + match gs with + | One l -> Strand.Lower l::ss + | Two (u, l) -> Strand.Upper u::Strand.Lower l::ss + +let melt_with f (s:t) = + match s with + | STRAND st -> [f st] + | GATE g -> melt_gate g |> List.map f + | ORIGAMI o -> + let gates, loose_strands = Origami.origami_species o in + let gate_strands = gates |> List.collect melt_gate in + (loose_strands @ gate_strands) |> List.map f + | _ -> raise (new System.Exception("The melting of complex and unknown species is not yet implemented")) + +(* return all species' strands (as if the species was melted by increasing the temperature) *) +let melt s = melt_with (strand_to_lower >> STRAND) s + +let eval env = function + | GATE g -> GATE (Gate.eval env g) + | STRAND s -> STRAND (Strand.eval env s) + // | COMPLEX b -> COMPLEX (Branch.eval env b) + | ORIGAMI o -> ORIGAMI (Origami.eval env o) + | UNKNOWN u -> UNKNOWN u + | LogicDsdProcess p -> LogicDsdProcess p + +(* hack for removing positions in events *) +(* Proper solution might be that evnts have Process.t rather than Species.t *) +let erasePos = function + | GATE g -> GATE (Gate.erasePosns g) + | STRAND s -> STRAND (Strand.erasePosns s) + //| COMPLEX b -> COMPLEX (Branch.erasePosns b) + | ORIGAMI o -> ORIGAMI (Origami.erasePosns o) + | UNKNOWN u -> UNKNOWN u + | LogicDsdProcess p -> LogicDsdProcess p + +let universal_counters = function + | GATE g -> GATE (Gate.universal_counters g) + | STRAND s -> STRAND (Strand.universal_counters s) +// | COMPLEX b -> COMPLEX (Branch.universal_counters b) + | ORIGAMI o -> ORIGAMI (Origami.universal_counters o) + | UNKNOWN u -> UNKNOWN u + | LogicDsdProcess p -> LogicDsdProcess p + +let free_names = function + | GATE g -> Gate.free_names g + | STRAND s -> Strand.free_names s +// | COMPLEX b -> Branch.free_names b + | ORIGAMI o -> Origami.free_names o + | UNKNOWN _ -> [] + | LogicDsdProcess _ -> [] \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/species.fsi b/ClassicDSD/ClassicDSDDotNet/species.fsi new file mode 100644 index 0000000..69e773d --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/species.fsi @@ -0,0 +1,92 @@ +module Microsoft.Research.DNA.Species +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +//module Value = Microsoft.Research.CRNEngine.Expression (* Overides DNA.Value *) +type prim = Microsoft.Research.CRNEngine.Expression.t + +type options = Options.t +type key = string +type domain = Domain.t +type strand = Strand.t +//type branch = Branch.t +type origami = Origami.t + +(* NB: gate should be removed once branching complexes are fully supported *) +type t = STRAND of strand | GATE of Gate.t | (*COMPLEX of branch |*) ORIGAMI of origami | UNKNOWN of string + | LogicDsdProcess of RulesDSD.Syntax.Process + + +type sim_t = Population + +(* An environment for mapping species to the names that generate them; including population, constant status, and whether plotted *) +type t_map = (t * prim * bool * bool * prim option * Microsoft.Research.CRNEngine.Spatial_initial.t option) +type t_disp = Names of string Stringmap.t * int +type t_env = (t_map list Stringmap.t * t_disp) + +val is_strand : t -> bool +val is_gate : t -> bool +//val is_complex : t -> bool +val is_origami : t -> bool +val display : t -> string +val display_name : options -> t_env -> bool -> t -> string +val try_find_name : options -> t_env -> bool -> t -> string option +val matches : options -> t -> t -> bool + +val is_predicate : t -> bool (* Does this species contain wildcards an is as such realy a species predicate? *) + +val domains : t -> domain list + +val empty_env : int -> t_env +val union_env : options -> t_env -> t_env -> t_env +val add_env : options -> string -> t_map -> t_env -> t_env +val env_map : (t_map -> t_map) -> t_env -> t_env +val env_to_species : t_env -> (sim_t * prim option) list +val env_to_plot_species : t_env -> t list + +(* Compute the "standard form" of a species. *) +val standard_form : options -> t -> t + +(* "Physically rotate" a species. Once it's rotated, put it back into standard form. *) +val rotate : options -> t -> t + +(* Are two species equal, up to physical rotation? *) +val equal : options -> t -> t -> bool + +(* Check a list of species to see that they meet certain syntactic criteria. *) +val check : t list -> unit + +(* Get all "initial" reactions on a gate. *) +val initial_reactions : Domain.sub_map -> options -> t -> t list list + +(* Collate a list of gates, a list of strands, and a list of origami into a single list of species. *) +val collate : Gate.t list -> strand list -> origami list -> t list + +(* Separate a single list of species into a list of gates, a list of strands, and a list of origami *) +val separate : t list -> Gate.t list * strand list * origami list + +(* Separate an association list keyed by species into three association lists, keyed by gates, strands, and origami. *) +val separate_assocs : (t * 'a) list -> (Gate.t * 'a) list * (strand * 'a) list * (origami * 'a) list + +(* Is a species "reactive"? A syntactic approximation to reactivity as defined by the reaction rules... *) +val is_reactive : Domain.sub_map -> options -> t -> bool + +(**************************************************************************************************************) + +(* Type for 'raw' species, as produced by the parser. *) +type raw = t * ((bool * t) list) * Types.range +//type raw_branch = RawBranch of raw * Branch.connection option * (raw_branch * Branch.connection option) list + +(* Convert a 'raw' species into a proper one, checking for well-formedness along the way. *) +val convert_raw_gate : raw -> t +//val convert_raw_branch : raw_branch -> t +val convert_raw_origami : t list -> origami + +(* return all species' strands (as if the species was melted by increasing the temperature) *) +val melt: t -> t list + +val eval : Gate.value_env -> t -> t + +val erasePos : t -> t +val universal_counters : t -> t +val free_names : t -> (Value.name * Value.range) list \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/strand.fs b/ClassicDSD/ClassicDSDDotNet/strand.fs new file mode 100644 index 0000000..2947543 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/strand.fs @@ -0,0 +1,151 @@ +[] +module Microsoft.Research.DNA.Strand +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type value = Value.t +type value_env = Value.t_env +type domain = Domain.t + +(* A strand is simply a list of domains. *) +type t = Upper of domain list + | Lower of domain list + +(* Mirror a strand between top to bottom. *) +let mirror = function + | Upper ns -> Lower ns + | Lower ns -> Upper ns + +(* Reverse a strand between left and right. *) +let reverse = function + | Upper ns -> Upper(List.rev ns) + | Lower ns -> Lower(List.rev ns) + +(* "Physically rotate" a strand. *) +let rotate (s:t) = reverse(mirror s) + +(* Are two strands equal, up to physical rotation? *) +let equal (s1:t) (s2:t) = (s1=s2) || (s1 = (rotate s2)) + +(*Always compare strands in the upper configuration *) +let compare (s1:t) (s2:t) = + match s1,s2 with + | Upper ds1, Upper ds2 -> Domain.compare_domains ds1 ds2 + | Upper ds1, Lower ds2 -> Domain.compare_domains ds1 (List.rev ds2) + | Lower ds1, Upper ds2 -> Domain.compare_domains (List.rev ds1) ds2 + | Lower ds1, Lower ds2 -> Domain.compare_domains (List.rev ds1) (List.rev ds2) + +(* Produce string representations of a strand. *) +let display (s:t) = + match s with + | Upper ns -> "<" + Domain.display_sequence ns + ">" + | Lower ns -> "{" + Domain.display_sequence ns + "}" +let rec displays (sl:t list) = Lib.string_of_list display " + " sl + +(* Produce DOT representations of a strand. *) +let to_dot (s:t) = + match s with + | Upper ns -> "\"<" + Domain.display_sequence ns + ">\"" + | Lower ns -> "\"{" + Domain.display_sequence ns + "}\"" +let rec to_dots (sl:t list) = + match sl with + | [] -> "" + | hd::tl -> (to_dot hd) + " " + (to_dots tl) + +(* Evaluate contained values, compute free names, using the constituent domains. *) +let eval (env: value_env) (s:t) = + match s with + | Upper ns -> Upper(Domain.eval_sequence env ns) + | Lower ns -> Lower(Domain.eval_sequence env ns) +let free_names (s:t) = + match s with + | Upper ns + | Lower ns -> List.collect Domain.free_names ns + +(* Check types and deal with position information. *) +let inferType in_origami (env:Types.type_env) (s:t) = + match s with + | Upper ns + | Lower ns -> List.iter (Domain.inferType in_origami env) ns +let getPosn = function | Upper ns | Lower ns -> Domain.getPosn (List.head ns) +let erasePosns (s:t) = + match s with + | Upper ns -> Upper(List.map Domain.erasePosns ns) + | Lower ns -> Lower(List.map Domain.erasePosns ns) +let replacePosns (mrs:Types.range Stringmap.t) (s:t) = + match s with + | Upper ns -> Upper(List.map (Domain.replacePosns mrs) ns) + | Lower ns -> Lower(List.map (Domain.replacePosns mrs) ns) + +let standard_form s = + match s with + | Upper _ -> s + | Lower _ -> (*rotate*) s (* rotation is performed when adding reactions *) + +(* Does strand s' match the "pattern" s? *) +let matches s s' = + let inner_match s s' = + match s,s' with + | Upper(ns),Upper(ns') | Lower(ns),Lower(ns') -> Domain.matches_list ns ns' + | _,_ -> false + (inner_match s s') || (inner_match s (rotate s')) + +let matches_env env s s' = + let inner_match_env s s' = + match s,s' with + | Upper(ns),Upper(ns') | Lower(ns),Lower(ns') -> Domain.matches_list_env env ns ns' + | _,_ -> None + Lib.option_or [inner_match_env s s'; inner_match_env s (rotate s')] + +(* Get the list of domains out of a strand. *) +let domains = function Upper ns | Lower ns -> ns + +let has_wildcard s = List.exists Domain.is_wildcard (domains s) + +(* Get the list of tethered domains out of a strand *) +let tethered_domains = function Upper(ns) | Lower(ns) -> List.filter Domain.is_tethered ns + +let get_tags s = Domain.all_tags_list (domains s) +let annotate_tag_sets s = + let ts = get_tags s in + match s with + | Upper ds -> Upper (Domain.set_tags_list ts ds) + | Lower ds -> Lower (Domain.set_tags_list ts ds) + +let unannotate_tag_sets = function + | Upper ds -> Upper (Domain.set_tags_list None ds) + | Lower ds -> Lower (Domain.set_tags_list None ds) + +(* Is a strand an upper strand? *) +let is_upper = function Upper _ -> true | Lower _ -> false + +(* Make an upper strand, suppressing any degree of complementarity information *) +let mk_upper ds = + let sanitize = function + | Domain.Toe (d, _, c, t) -> Domain.Toe (d, Value.Float (1.0, None), c, t) + | d -> d in + ds |> List.map sanitize |> Upper + +(* Get the list of all NON-TOEHOLD domains exposed in the gate. *) +let exposed_nontoeholds (s:t) = List.filter (fun d -> not(Domain.is_toehold d)) (domains s) + +(* Find a pair of neighbouring exposed toeholds, if possible. *) +let neighbouring_toeholds (s:t) = Domain.neighbouring_toeholds (domains s) + +(* Append two strands together. *) +let append (s:t) (s':t) : t = + match s,s' with + | (Lower s),(Lower s') -> Lower(s@s') + | (Upper s),(Upper s') -> Upper(s@s') + | _,_ -> failwith "Strand.append: cannot join a lower and an upper strand" + +(* Is a strand "reactive", i.e. contains a toehold? *) +let is_reactive (s:t) = + let domains = match s with Upper ds | Lower ds -> ds in + Domain.contains_toehold domains + +(******************************************************************************) +let universal_counters (s:t) = + match s with + | Upper ns -> Upper(List.map Domain.universal_counters ns) + | Lower ns -> Lower(List.map Domain.universal_counters ns) diff --git a/ClassicDSD/ClassicDSDDotNet/strand.fsi b/ClassicDSD/ClassicDSDDotNet/strand.fsi new file mode 100644 index 0000000..4f314ae --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/strand.fsi @@ -0,0 +1,46 @@ +module Microsoft.Research.DNA.Strand +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type value = Value.t +type value_env = Value.t_env +type domain = Domain.t +type t = Upper of domain list + | Lower of domain list + +val mirror : t -> t +val reverse : t -> t +val rotate : t -> t +val equal : t -> t -> bool +val compare : t -> t -> int + +val display : t -> string +val displays : t list -> string +val to_dot : t -> string +val to_dots : t list -> string + +val eval : value_env -> t -> t +val free_names : t -> (Value.name * Value.range) list +val inferType : bool option -> Types.type_env -> t -> unit +val getPosn : t -> Types.range +val erasePosns : t -> t +val replacePosns : Types.range Stringmap.t -> t -> t +val standard_form : t -> t +val matches : t -> t -> bool +val matches_env : Domain.match_env -> t -> t -> Domain.match_env option +val has_wildcard : t -> bool +val domains : t -> domain list +val tethered_domains : t -> domain list +val get_tags : t -> Domain.tag list option +val annotate_tag_sets : t -> t +val unannotate_tag_sets : t -> t +val is_upper : t -> bool +val mk_upper : domain list -> t + +val exposed_nontoeholds : t -> domain list +val neighbouring_toeholds : t -> (domain * domain) option +val append : t -> t -> t +val is_reactive : t -> bool + +(******************************************************************************) +val universal_counters : t -> t \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/svg.fs b/ClassicDSD/ClassicDSDDotNet/svg.fs new file mode 100644 index 0000000..d9d12ad --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/svg.fs @@ -0,0 +1,940 @@ +[] +module Microsoft.Research.DNA.Svg +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine +open Microsoft.Research.DNA.Options +open Microsoft.Research.CRNEngine + +module Species = Microsoft.Research.DNA.Species +module CrnSvg = Microsoft.Research.CRNEngine.Svg + +(* This module contains the logic that creates SVG elements representing a DSD species. Note that this is independant of the Visualisation module. *) + +type domain = Domain.t +type strand = Strand.t +type segment = Segment.t +type gate = Gate.t +type origami = Origami.t + +///The angle at which overhangs bend. +let bend_angle = 45.0 +///The arrow segment, relative to the endpoint. This is for upper strands. For lower strands, this vector will be reversed. +let arrow_vector = { Svg.x = -7.0; Svg.y = -4.0 } +///The distance between upper and lower strands in complement mode. More accurately, this is the point at which a strand ends, when its opposite starts at the origin. +let segment_sep_complement = { Svg.x = 0.0; Svg.y = 8.0 } +///The distance between upper and lower strands in condensed mode. More accurately, this is the point at which a strand ends, when its opposite starts at the origin. +let segment_sep_condensed = { Svg.x = 0.0; Svg.y = 18.0 } +///The distance between upper and lower strands in nucleotides mode. More accurately, this is the point at which a strand ends, when its opposite starts at the origin. +let segment_sep_nucleotides = { Svg.x = 0.0; Svg.y = 34.0 } +///The distance between segments in a gate. +let segment_skip = 7.0 +///The distance between species in an origami. +let species_skip = 10.0 +///The margin around species in an origami. +let origami_sep = { Svg.x = 16.0; Svg.y = 16.0 } +///The size of the origami box corners. +let origami_round = 32.0 +///Standard width of a character for the purpose of determining domain name length. +let letterwidth = 8 +///The extra strand length around toehold domains, in characters. +let toehold_pad = 3 +///The extra strand length around normal domains, in characters. +let normal_pad = 4 +///The assumed font size; note that this is actually reported in the style. +let fontsize = 15.0 +///The thickness of the strand. +let linewidth = 2.5 +///The extra strand length added when two overhangs cross, to prevent the domain labels from overlapping. +let cross_gap = fontsize + 2.0 (* allow for asterisk *) +///The extra strand length added to overhangs in modes that put text on the inside, to prevent the domain labels from appearing ovre the horizontal strand. +let inlabel_gap = 2. * float letterwidth +///The height of a hairpin domain name label. +let baseline_height = 5.0 +///The distance between the strand and the domain labels, for complement mode. +let label_sep_complement = 8.0 +///The distance between the strand and the domain labels, for condensed mode, for upper strands (and double strands). +let label_sep_condensed_upper = segment_sep_condensed.y / 2. + fontsize / 2. - linewidth +///The distance between the strand and the domain labels, for condensed mode, for lower overhang strands. +let label_sep_condensed_lower = segment_sep_condensed.y / 2. + fontsize / 2. - linewidth - 1.5 +///The distance between the strand and the domain labels, for nucleotides mode, for lower strands. +let label_sep_nucleotides_lower = 14.0 +///The distance between the strand and the domain labels, for nucleotides mode, for upper strands. +let label_sep_nucleotides_upper = 15.0 + +///Provides the string for a domain. +let dom_string d = Domain.display_picture d true + +///Calculates the extra strand length, in pixels, around a domain. +let dom_pad d = (if Domain.is_toehold d then toehold_pad else normal_pad) * letterwidth +///Calculates the render width of a domain name. +let len_dom_name = Domain.display_length >> ((*) letterwidth) +let len_dom_seq mapping d = (match Sequence.get_domain mapping d with Some (Some s) -> s | _ -> []) |> List.length |> ((*) letterwidth) + +///Calculates the total render width of a domain. +let len_dom mode mapping d = (d |> (if mode = Nucleotides then len_dom_seq mapping else len_dom_name)) + (d |> dom_pad) +///Calculates the total render width of a domain list. +let len_doms mode mapping = Lib.fold_left (fun s d -> s + len_dom mode mapping d) 0 + +///This CSS class will be added to all elements of the picture, and can then be used for styling. +let baseClass = "svgdsd" +let dom_name d = d |> Domain.unstar |> Domain.to_string +///Provides a valid CSS class identifier for a domain. +let dom_id d ="dom_" + (dom_name d) + +///Describes how a label is going to be positioned. This can affect spacing. +type labelMode = +///On an upper strand, above the strand. +| UpperOuter +///On an upper strand, below the strand. +| UpperInner +///On a lower strand, below the strand. +| LowerOuter +///On a lower strand, above the strand. +| LowerInner + +///Produces a Svg.group that renders the given domain list, as a straight line. The line is composed of a number of line paths, correctly aligned. The line starts at the origin and ends at (length,0). The resulting Svg.group has two anchors at those points, named "start" and "end" respectively. +let dom_list_to_svg mode mapping label ds = + let make_label x d = + match label with + | Some label -> + let dom_class = (baseClass + " " + (d |> dom_id) + (if mode = Nucleotides then " fixedwidth" else "")) |> Some in + let y = match mode with + | Complement -> -label_sep_complement + | Condensed -> match label with + | UpperOuter | UpperInner -> label_sep_condensed_upper + | LowerOuter | LowerInner -> label_sep_condensed_lower + | Nucleotides -> match label with + | UpperOuter | UpperInner -> label_sep_nucleotides_upper + | LowerOuter | LowerInner -> label_sep_nucleotides_lower + let anchor = { Svg.x = x ; Svg.y = y } in + let dir = Svg.translate_point_by { x = 10.0; y = 0.0 } anchor + let text = match mode with + | Nucleotides -> let s = match Sequence.get_domain mapping d with Some (Some s) -> s | _ -> [] + // Note that the sequence has already been complemented, if necessary, by Sequence.get_domain. + Sequence.string_of_sequence s + | _ -> dom_string d + { Svg.label_text = text + ; Svg.label_anchor = anchor + ; Svg.label_class = dom_class + ; Svg.letter_width = Svg.default_letter_width + ; Svg.label_dir = dir } |> Some + | None -> None + let ps, end_point = + Lib.fold_left + (fun (acc_paths, acc_p) d -> + let dom_class = (baseClass + " " + (d |> dom_id)) |> Some in + let do_tether = Domain.is_tethered d in + if do_tether then + let new_p = acc_p |> Svg.translate_point_by { Svg.x = len_dom mode mapping d |> float; Svg.y = 0.0 } in + let tether_p = + { Svg.x = (new_p.x + acc_p.x) / 2.0 ; Svg.y = 0.0 } in + let new_path1 = + { Svg.path_class = dom_class + ; Svg.commands = [ Svg.MoveTo acc_p; Svg.LineTo tether_p ] + ; Svg.path_label = make_label ((new_p.x + acc_p.x) / 2.0) d } in + let new_path2 = + { Svg.path_class = dom_class + ; Svg.commands = [ Svg.MoveTo tether_p; Svg.LineTo new_p ] + ; Svg.path_label = None } in + let tether_path = + { Svg.path_class = baseClass + " tether-pin" |> Some + ; Svg.commands = [ Svg.MoveTo (tether_p |> Svg.translate_point_by { x = 0.0; y = 3.0}) + ; Svg.ArcTo ( tether_p |> Svg.translate_point_by { x = 0.0; y = -3.0} + , { rx = 3.0; ry = 3.0; large_flag = true; sweep_flag = false; angle = 0.0 }) + ; Svg.ArcTo ( tether_p |> Svg.translate_point_by { x = 0.0; y = 3.0} + , { rx = 3.0; ry = 3.0; large_flag = true; sweep_flag = false; angle = 0.0 }) ] + ; Svg.path_label = None } in + new_path2::tether_path::new_path1::acc_paths, new_p + else + let new_p = acc_p |> Svg.translate_point_by { Svg.x = len_dom mode mapping d |> float; Svg.y = 0.0 } in + let new_path = + { Svg.path_class = dom_class + ; Svg.commands = [ Svg.MoveTo acc_p; Svg.LineTo new_p ] + ; Svg.path_label = make_label ((new_p.x + acc_p.x) / 2.0) d } in + new_path::acc_paths, new_p) + ([], Svg.origo) + ds in + { Svg.name = "" + ; Svg.content = List.rev ps |> Svg.Paths + ; Svg.anchors = [ { anchor_id = "start"; anchor_point = Svg.origo } + ; { anchor_id = "end"; anchor_point = end_point } ] + ; Svg.debug_anchors = false + ; Svg.sub_groups = [] + ; Svg.offset = None } + +///Produces a Svg.group that renders the given domain list, arranged as a hairpin arc. The line is composed of a number of arc paths, correctly aligned. The arc starts at the origin, runs counterclockwise, and ends at the strand separation point (therefore, this is a right-hairpin; the caller needs to rotate it if it's meant to be a left-hairpin). +let dom_list_to_hp_svg mode mapping ds = + let segment_sep = match mode with + | Complement -> segment_sep_complement + | Condensed -> segment_sep_condensed + | Nucleotides -> segment_sep_nucleotides + let straight = dom_list_to_svg mode mapping (Some LowerInner) ds in + let mult = if mode = Nucleotides then 4.0 else 1.0 in + let len = mult * (Svg.get_anchor_point "end" straight).x in + let d = 6.9282 - 1.0 + len / (3.0 * (float letterwidth)) in + let c = { Svg.x = d; Svg.y = segment_sep.y / 2.0 } in + let total_v = 360.0 - (Svg.dir c) * 360.0 / Svg.pi in + let r = Svg.norm c in + ///Used to make the label for a domain (in Complement and Condensed modes). + let make_label v_mid d = + let offset = (len_dom_name d |> float) / 2.0 + label_sep_complement in + let sink = Svg.rotate_point_around Svg.origo (v_mid - 90.0) c |> Svg.scale_to baseline_height in + let label_anchor = Svg.rotate_point_around c v_mid { x = -offset * c.x / r; y = -offset * c.y / r } |> Svg.translate_point_by sink in + let label_direction = Svg.rotate_point_around c v_mid { x = (-offset-10.0) * c.x / r; y = (-offset-10.0) * c.y / r } |> Svg.translate_point_by sink in + let dom_class = (baseClass + " " + (d |> dom_id) + (if mode = Nucleotides then " fixedwidth" else "")) |> Some in + let text = dom_string d + { Svg.label_text = text + ; Svg.label_anchor = label_anchor + ; Svg.label_class = dom_class + ; Svg.letter_width = Svg.default_letter_width + ; Svg.label_dir = label_direction } |> Some + ///Used to make the label for a single base (in Nucleotide mode). + let make_base_label v_mid d (b:char) = + // Adding baseline_height because the translate to sink afterwards will remove that. + let offset = -label_sep_nucleotides_upper + baseline_height in + let sink = Svg.rotate_point_around Svg.origo (v_mid) c |> Svg.scale_to baseline_height in + let label_anchor = Svg.rotate_point_around c v_mid { x = -offset * c.x / r; y = -offset * c.y / r } |> Svg.translate_point_by sink in + let label_direction = Svg.rotate_point_around c v_mid { x = (-offset-10.0) * c.x / r; y = (-offset-10.0) * c.y / r } |> Svg.translate_point_by sink in + let label_direction = Svg.rotate_point_around label_anchor 90.0 label_direction + let dom_class = (baseClass + " " + (d |> dom_id) + (if mode = Nucleotides then " fixedwidth" else "")) |> Some in + let text = string b // note: using b.ToString() causes the ASCII code to be emitted in JavaScript + { Svg.label_text = text + ; Svg.label_anchor = label_anchor + ; Svg.label_class = dom_class + ; Svg.letter_width = Svg.default_letter_width + ; Svg.label_dir = label_direction } |> Some + let to_arc v = + { Svg.rx = r + ; Svg.ry = r + ; Svg.large_flag = v > 180.0 + ; Svg.sweep_flag = true + ; Svg.angle = 0.0 } in + let ps_rev, _, _ = + Lib.fold_left + (fun (acc_paths, acc_p, acc_v) d -> + match mode with + | Nucleotides -> + // Renders one arc Svg.path per base (plus two for padding). + let bases = match Sequence.get_domain mapping d with Some (Some s) -> Sequence.string_of_sequence s | _ -> "" in + let bases = bases.ToCharArray() in + // This is the total length of the domain, as a fraction of the total hairpin length. + let total_len = mult * (len_dom mode mapping d |> float) / len in + // This is the padding length, as a fraction of the total hairpin length. + let pad_len = 20. / len in + // This is the length of one base, as a fraction of the total hairpin length. + let v_frac = (total_len - 2. * pad_len) / (Array.length bases |> float) in + // Function that adds an arc Svg.path with no label, for padding. + let add_padding (acc_paths, acc_p, acc_v) = + let v = pad_len * total_v in + let new_v = v + acc_v in + let new_p = Svg.rotate_point_around c new_v Svg.origo in + let new_path = + { Svg.path_class = (baseClass + " " + (d |> dom_id)) |> Some + ; Svg.commands = [ Svg.MoveTo acc_p; Svg.ArcTo (new_p, to_arc v) ] + ; Svg.path_label = None } in + (new_path::acc_paths,new_p,new_v) in + // Function that adds an arc Svg.path with a single base label. + let make_base_arc (acc_paths,acc_p,acc_v) b = + let v = v_frac * total_v in + let new_v = v + acc_v in + let new_p = Svg.rotate_point_around c new_v Svg.origo in + let new_path = + let v_mid = (new_v + acc_v) / 2.0 in + { Svg.path_class = (baseClass + " " + (d |> dom_id)) |> Some + ; Svg.commands = [ Svg.MoveTo acc_p; Svg.ArcTo (new_p, to_arc v) ] + ; Svg.path_label = make_base_label v_mid d b } in + (new_path::acc_paths,new_p,new_v) in + // Add an arc with no label for the padding at the beginning of the domain. + let (acc_paths,acc_p,acc_v) = add_padding (acc_paths,acc_p,acc_v) in + // Add an arc Svg.path for each base. + let (acc_paths,acc_p,acc_v) = Array.fold make_base_arc (acc_paths,acc_p,acc_v) bases in + // Add an arc with no label for the padding at the beginning of the domain. + let (acc_paths,acc_p,acc_v) = add_padding (acc_paths,acc_p,acc_v) in + (acc_paths,acc_p,acc_v) + | _ -> + // Renders one arc Svg.path for the domain. + let v_frac = (len_dom mode mapping d |> float) / len in + let v = v_frac * total_v in + let new_v = v + acc_v in + let new_p = Svg.rotate_point_around c new_v Svg.origo in + let new_path = + let v_mid = (new_v + acc_v) / 2.0 in + { Svg.path_class = (baseClass + " " + (d |> dom_id)) |> Some + ; Svg.commands = [ Svg.MoveTo acc_p; Svg.ArcTo (new_p, to_arc v) ] + ; Svg.path_label = make_label v_mid d } in + new_path::acc_paths, new_p, new_v + ) + ([], Svg.origo, 0.0) + (ds |> List.rev) in + let ps_rev_end = + match ps_rev |> List.map (Svg.translate_path_by { x = 1.0; y = 0.0 }) with + | [] -> [] + | p::ps -> { p with Svg.commands = p.commands @ [Svg.LineTo segment_sep] }::ps in + let ps_bend = + match ps_rev_end |> List.rev with + | [] -> [] + | path::ps -> + (match path.commands with + | (Svg.MoveTo p)::cs -> { path with + commands = (p |> Svg.translate_point_by { x = -1.0; y = 0.0 } |> Svg.MoveTo) :: Svg.LineTo p :: cs }::ps + | _ -> path::ps) in + { Svg.name = "" + ; Svg.content = ps_bend |> Svg.Paths + ; Svg.anchors = [ { anchor_id = "start"; anchor_point = Svg.origo } + ; { anchor_id = "end"; anchor_point = segment_sep } ] + ; Svg.debug_anchors = false + ; Svg.sub_groups = [] + ; Svg.offset = None } + +///This type represents a rendered SVG single strand, plus anchors. +type svg_strand = + ///The SVG rendering of the strand. + { strand : Svg.path list + ///The anchor for the strand start. + ; start_anchor : Svg.point + ///The anchor for the strand end. + ; end_anchor : Svg.point + ///The anchor for the east side of the strand. This is independent of strand direction (it's always horizontally at the east end), and independent of overhang bending (it's always vertically at the same height as the main segment body). + ; east_anchor : Svg.point } + +///Applies a transform to a strand's SVG representation. This includes the anchors. +let transform_strand_by t s = + { strand = s.strand |> List.map (Svg.transform_path_by t) + ; start_anchor = s.start_anchor |> t + ; end_anchor = s.end_anchor |> t + ; east_anchor = s.east_anchor |> t } +///Translates a strand's SVG representation. This includes the anchors. +let translate_strand_by = Svg.translate_point_by >> transform_strand_by + +///Attaches [s2] at the end of [s1] creating a longer strand. This is assuming upper strands (end in the east), so the east anchor becomes s2's east anchor. +let (-@) s1 s2 = + let v = Svg.sub s1.end_anchor s2.start_anchor in + { strand = s1.strand @ (s2.strand |> List.map (Svg.translate_path_by v)) + ; start_anchor = s1.start_anchor + ; end_anchor = s2.end_anchor |> Svg.translate_point_by v + ; east_anchor = s2.east_anchor |> Svg.translate_point_by v } + +///Attaches [s1] at the start of [s2] creating a longer strand. This is assuming upper strands (end in the east), so the east anchor remains s2's east anchor. +let (@-) s1 s2 = + let v = Svg.sub s2.start_anchor s1.end_anchor in + { strand = (s1.strand |> List.map (Svg.translate_path_by v)) @ s2.strand + ; start_anchor = s1.start_anchor |> Svg.translate_point_by v + ; end_anchor = s2.end_anchor + ; east_anchor = s2.east_anchor } + +///Attaches [s2] at the end of [s1] creating a longer strand. This is assuming lower strands (start in the east), so the east anchor remains s1's east anchor. +let (-&) s1 s2 = + let v = Svg.sub s1.end_anchor s2.start_anchor in + { strand = s1.strand @ (s2.strand |> List.map (Svg.translate_path_by v)) + ; start_anchor = s1.start_anchor + ; end_anchor = s2.end_anchor |> Svg.translate_point_by v + ; east_anchor = s1.east_anchor } + +///Attaches [s1] at the start of [s2] creating a longer strand. This is assuming lower strands (start in the east), so the east anchor becomes s1's east anchor. +let (&-) s1 s2 = + let v = Svg.sub s2.start_anchor s1.end_anchor in + { strand = (s1.strand |> List.map (Svg.translate_path_by v)) @ s2.strand + ; start_anchor = s1.start_anchor |> Svg.translate_point_by v + ; end_anchor = s2.end_anchor + ; east_anchor = s1.east_anchor |> Svg.translate_point_by v } + +///Returns [s2] moved such that its east_anchor is on top of [s1]s east_anchor. The reason this does not necessarily cause strands to overlap is that a strand's east anchor is not necessarily right on its eastern end. +let (-<) s1 s2 = + let v = Svg.sub s1.east_anchor s2.east_anchor in + s2 |> translate_strand_by v + +///Returns [s1] moved such that its east_anchor is on top of [s2]s east_anchor. The reason this does not necessarily cause strands to overlap is that a strand's east anchor is not necessarily right on its eastern end. +let (>-) s1 s2 = + let v = Svg.sub s2.east_anchor s1.east_anchor in + s1 |> translate_strand_by v + +///Returns [so2] moved such that its east_anchor is on top of [s1]s east_anchor. The reason this does not necessarily cause strands to overlap is that a strand's east anchor is not necessarily right on its eastern end. +let (/<) s1 so2 = match so2 with None -> None | Some s2 -> s1 -< s2 |> Some +///Returns [so1] moved such that its east_anchor is on top of [s2]s east_anchor. The reason this does not necessarily cause strands to overlap is that a strand's east anchor is not necessarily right on its eastern end. +let (>/) so1 s2 = match so1 with None -> None | Some s1 -> s1 >- s2 |> Some + +///Attaches [so2] to the end of [s1], if present. Assumes upper strands (end in the east). +let (/@) s1 so2 = match so2 with None -> s1 | Some s2 -> s1 -@ s2 +///Attaches [so1] to the start of [s2]. Assumes upper strands (end in the east). +let (@/) so1 s2 = match so1 with None -> s2 | Some s1 -> s1 @- s2 +///Attaches [so2] to the end of [s1]. Assumes lower strands (start in the east). +let (/&) s1 so2 = match so2 with None -> s1 | Some s2 -> s1 -& s2 +///Attaches [so1] to the start of [s2]. Assumes lower strands (start in the east). +let (&/) so1 s2 = match so1 with None -> s2 | Some s1 -> s1 &- s2 + +///Returns the same strand, with an added arrow. The arrow always goes at the end, but I still need to know whether the strand is upper or lower in order to draw the arrowhead in the correct direction. +let add_arrow upper s = + let v = if upper then arrow_vector else Svg.rotate_point_around Svg.origo 180.0 arrow_vector in + match s.strand |> List.rev with + | l::r -> + (match l.commands |> List.rev with + | (Svg.LineTo p)::_ -> + let al = + { l with commands = l.commands @ [p |> Svg.translate_point_by v |> Svg.LineTo] } in + { s with strand = (al::r) |> List.rev } + | _ -> s) + | _ -> s + +///Rotates a strand around its start point. Needs to be told whether it's an upper strand because I want to keep a tiny horizontal segment as a connector, and the direction of that depends on whether the start point is to the left or right. +let bend_start upper angle s = + let rcs = List.map (Svg.rotate_path_command_around s.start_anchor angle) in + let rps = List.map (Svg.rotate_path_around s.start_anchor angle) in + // Tiny horizontal segment that doesn't bend; paints over the small empty wedge that would otherwise appear between this strand and any attached horizontal strands. I.e. it acts as a linejoin between two distinct path commands. + let d = if upper then { Svg.x = 1.0; Svg.y = 0.0 } else { Svg.x = -1.0; Svg.y = 0.0 } in + let strand = + match s.strand with + | path::ps -> + (match path.commands with + | (Svg.MoveTo p as mp) :: cs -> { path with + commands = mp :: (p |> Svg.translate_point_by d |> Svg.LineTo) :: (cs |> rcs) + path_label = match path.path_label with None -> None | Some path_label -> path_label |> Svg.rotate_label_around s.start_anchor angle |> Some } :: (ps |> rps) + | _ -> s.strand |> rps ) + | _ -> s.strand |> rps in + { strand = strand + ; start_anchor = s.start_anchor + ; end_anchor = s.end_anchor |> Svg.rotate_point_around s.start_anchor angle + // Note that the east anchor remains unchanged, regardless of upper or lower. I've tried having it rotate as well, but there seems to be no effect. I figure the reason is as follows; if the strand is upper, then rotating at start means that this is a top right overhang, so there's nothing to be connected at the east side, so we don't care about the east anchor. If the strand is lower, then the east anchor corresponds to he start point, so rotation has no effect anyway. + ; east_anchor = s.east_anchor } + +///Rotates a strand around its end point. Needs to be told whether it's an upper strand because I want to keep a tiny horizontal segment as a connector, and the direction of that depends on whether the end point is to the left or right. +let bend_end upper angle s = + let rcs = List.map (Svg.rotate_path_command_around s.end_anchor angle) in + let rps = List.map (Svg.rotate_path_around s.end_anchor angle) in + // Tiny horizontal segment that doesn't bend; paints over the small empty wedge that would otherwise appear between this strand and any attached horizontal strands. I.e. it acts as a linejoin between two distinct path commands. + let d = if upper then { Svg.x = -1.0; Svg.y = 0.0 } else { Svg.x = 1.0; Svg.y = 0.0 } in + let strand = + match s.strand |> List.rev with + | path::ps -> + (match path.commands |> List.rev with + | (Svg.LineTo p as lp) :: cs -> ({ path with + commands = (lp :: (p |> Svg.translate_point_by d |> Svg.LineTo) :: (cs |> rcs)) |> List.rev + path_label = match path.path_label with None -> None | Some path_label -> path_label |> Svg.rotate_label_around s.end_anchor angle |> Some } :: (ps |> rps)) |> List.rev + | _ -> s.strand |> rps) + | _ -> s.strand |> rps in + { strand = strand + ; start_anchor = s.start_anchor |> Svg.rotate_point_around s.end_anchor angle + ; end_anchor = s.end_anchor + // Note that the east anchor remains unchanged, regardless of upper or lower. I've tried having it rotate as well, but there seems to be no effect. I figure the reason is as follows; if the strand is upper, then the east anchor corresponds to the end point, so rotation has no effect anyway. If the strand is lower, then rotating at end means that this is a bottom right overhang, so there's nothing to be connected at the east side, so we don't care about the east anchor. + ; east_anchor = s.east_anchor } + +///Returns a strand where the start point has been moved by the supplied vector. This is meant to be used to extend the strand's start domain. Therefore, the vector should always be horizontal, and it should be positive for lower segments, and negative for upper segments. Note that this function does not change the east anchor. The caller should change the east anchor if this is a lower strand. +let extend_start d s = + let t = Svg.translate_point_by d in + { strand = ( match s.strand with + | path::ps -> (match path.commands with + | (Svg.MoveTo p)::cs -> { path with commands = (p |> t |> Svg.MoveTo) :: cs } :: ps + | _ -> s.strand) + | _ -> s.strand) + ; start_anchor = s.start_anchor |> t + ; end_anchor = s.end_anchor + ; east_anchor = s.east_anchor } + +///Returns a strand where the end point has been moved by the supplied vector. This is meant to be used to extend the strand's end domain. Therefore, the vector should always be horizontal, and it should be positive for upper segments, and negative for lower segments. Note that this function does not change the east anchor. The caller should change the east anchor if this is an upper strand. +let extend_end d s = + let t = Svg.translate_point_by d in + { strand = ( match s.strand |> List.rev with + | path::ps -> (match path.commands |> List.rev with + | (Svg.LineTo p)::cs -> ({ path with commands = ((p |> t |> Svg.LineTo) :: cs) |> List.rev } :: ps) |> List.rev + | _ -> s.strand) + | _ -> s.strand) + ; start_anchor = s.start_anchor + ; end_anchor = s.end_anchor |> t + ; east_anchor = s.east_anchor } + +///Returns a strand that has been extended (by a cross-gap length) on the start side. Needs to know whether the start side is east (i.e. lower strand) or west (i.e. upper strand). This may be used for example for a strand that's supposed to be bent and that is predicted to cross another overhang from an adjacent segment, so it needs extra length to prevent domain names from overlapping. +let strut_start len east s = + let d, d_inv = if east then {Svg.x=len;Svg.y=0.},{Svg.x=0.-len;Svg.y=0.} else {Svg.x=0.-len;Svg.y=0.},{Svg.x=len;Svg.y=0.} in + let es = extend_start d s |> translate_strand_by d_inv in + if east then { es with east_anchor = es.east_anchor |> Svg.translate_point_by d } else es + +///Returns a strand that has been extended (by a cross-gap length) on the end side. Needs to know whether the end side is east (i.e. upper strand) or west (i.e. lower strand). This may be used for example for a strand that's supposed to be bent and that is predicted to cross another overhang from an adjacent segment, so it needs extra length to prevent domain names from overlapping. +let strut_end len east s = + let d, d_inv = if east then {Svg.x=len;Svg.y=0.},{Svg.x=0.-len;Svg.y=0.} else {Svg.x=0.-len;Svg.y=0.},{Svg.x=len;Svg.y=0.} in + let es = extend_end d s |> translate_strand_by d_inv in + if east then { es with east_anchor = es.east_anchor |> Svg.translate_point_by d } else es + +///Represents a strand in the form of a half-segment. As such, the representation comprises up to three strands: a left overhang, a middle, and a right overhang. Note that this does not have a direction, so it may be upper (arrow on the right overhang) or lower (arrow in the left overhang). So, by "left" we mean "screen left". Note that if this is a hairpin half-segment, then "left" and "right" do not have the correct meaning, and should be considered as "upper" and "lower" instead. For left-hairpins, the left overhang is upper and the right overhang is lower. For right-hairpins, the left overhang is lower and the right overhang is upper. +type svg_halfseg = + ///The left overhang strand (start for upper segments, end for lower segments or hairpins). For left-hairpins, this is the upper strand. For right-hairpins, this is the lower strand. + { left_overhang: svg_strand option + ///The middle strand (always horizontal). + ; middle: svg_strand + ///The right overhang strand (start for lower segments or hairpins, end for upper segments). For left-hairpins, this is the lower strand. For right-hairpins, this is the upper strand. + ; right_overhang: svg_strand option } + +///Extends a halfseg by the segment_skip length. The extension is done at the start of the left overhang, or at the start of the middle (if there is no left overhang). Note that this is only ever called on upper segments, and "east" is only ever true. So the exact meaning of "east" in this context is unclear, because the segment is actually extended to the west. +let extend_left_start east s = + let d = if east then { Svg.x = -segment_skip; Svg.y = 0.0 } else { Svg.x = segment_skip; Svg.y = 0.0 } in + let e = extend_start d in + match s.left_overhang with + | None -> { s with middle = s.middle |> e } + | Some l -> { s with left_overhang = l |> e |> Some } + +///Extends a halfseg by the segment_skip length. The extension is done at the start of the right overhang, or at the start of the middle (if there is no right overhang). +let extend_right_start east s = + let d = if east then { Svg.x = -segment_skip; Svg.y = 0.0 } else { Svg.x = segment_skip; Svg.y = 0.0 } in + let e = extend_start d in + match s.right_overhang with + | None -> { s with middle = s.middle |> e } + | Some r -> { s with right_overhang = r |> e |> Some } + +///Extends a halfseg by the segment_skip length. The extension is done at the end of the right overhang, or at the end of the middle (if there is no right overhang). Note that this is only ever called on upper segments, and "west" is only ever true. So the exact meaning of "west" in this context is unclear, because the segment is actually extended to the east. +let extend_right_end west s = + let d = if west then { Svg.x = segment_skip; Svg.y = 0.0 } else { Svg.x = -segment_skip; Svg.y = 0.0 } in + let e = extend_end d in + match s.right_overhang with + | None -> { s with middle = s.middle |> e } + | Some r -> { s with right_overhang = r |> e |> Some } + +///Extends a halfseg by the segment_skip length. The extension is done at the end of the left overhang, or at the end of the middle (if there is no left overhang). +let extend_left_end west s = + let d = if west then { Svg.x = segment_skip; Svg.y = 0.0 } else { Svg.x = -segment_skip; Svg.y = 0.0 } in + let e = extend_end d in + match s.left_overhang with + | None -> { s with middle = s.middle |> e } + | Some l -> { s with left_overhang = l |> e |> Some } + +///Joins two upper half-segs to form a new upper half-seg. The output is anchored to hs1. +let (--@) hs1 hs2 = + let hs1, hs2 = hs1 |> extend_right_end true, hs2 |> extend_left_start true in + let middle = hs1.middle /@ hs1.right_overhang /@ hs2.left_overhang -@ hs2.middle in + { left_overhang = hs1.left_overhang + ; middle = middle + ; right_overhang = hs2.right_overhang >/ middle } + +///Joins an upper halfseg and a right-hairpin halfseg to form a new right-hairpin halfseg. The output is anchored to hs1. Hairpin halfsegs are treated as lower, and this includes the output of this operator, so the left overhang of the hairpin becomes the left overhang of the output, while the left overhang of the upper becomes the right overhang of the output. Everything else becomes the new middle. +let (@--) hs1 hs2 = + let hs1, hs2 = hs1 |> extend_right_end true, hs2 |> extend_right_start true in + let middle = hs1.middle /@ hs1.right_overhang /@ hs2.right_overhang -@ hs2.middle in + { left_overhang = hs2.left_overhang >/ middle + ; middle = middle + ; right_overhang = hs1.left_overhang } + +///Joins a left-hairpin halfseg and an upper halfseg to form a new upper halfseg. The output is anchored to hs1. Hairpin halfsegs are treated as lower, therefore hs1 needs to be inverted (i.e. the left side of hs1 is joined to the left side of hs2, while the right side of hs1 becomes the left side of the output). Note that this operator produces an upper halfseg that includes a hairpin, but it's still considered upper. +let (--&) hs1 hs2 = + let hs1, hs2 = hs1 |> extend_left_end true, hs2 |> extend_left_start true in + let middle = hs1.middle /@ hs1.left_overhang /@ hs2.left_overhang -@ hs2.middle in + { left_overhang = hs1.right_overhang + ; middle = middle + ; right_overhang = hs2.right_overhang >/ middle } + +///Joins a lower (or right-hairpin) halfseg to a lower (or left-hairpin) halfseg to form a new lower halfseg (which may be interpreted as a hairpin). Everything is lower, so there is no need to invert anything, but the direction is right-to-left. +let (&--) hs1 hs2 = + let hs1, hs2 = hs1 |> extend_left_end false, hs2 |> extend_right_start false in + let middle = hs1.middle &- (hs1.left_overhang &/ (hs2.right_overhang &/ hs2.middle)) in + { left_overhang = hs2.left_overhang + ; middle = middle + ; right_overhang = hs1.right_overhang >/ middle } + +///Unused. Aligns hs2 with hs1 (based on the east anchors). +let (--<) hs1 hs2 = + let t s = hs1.middle -< s in + { left_overhang = hs2.left_overhang |> Lib.option_map2 t + ; middle = hs2.middle |> t + ; right_overhang = hs2.right_overhang |> Lib.option_map2 t } + +///Aligns hs1 with hs2 (based on the east anchors). +let (>--) hs1 hs2 = + let t s = s >- hs2.middle in + { left_overhang = hs1.left_overhang |> Lib.option_map2 t + ; middle = hs1.middle |> t + ; right_overhang = hs1.right_overhang |> Lib.option_map2 t } + +///Adds the arrowhead to a halfseg. Needs to know whether it is upper or lower. +let add_seg_arrow upper s = + let a = add_arrow upper in + if upper then + match s.right_overhang with + | None -> { s with middle = s.middle |> a } + | Some r -> { s with right_overhang = r |> a |> Some } + else + match s.left_overhang with + | None -> { s with middle = s.middle |> a } + | Some l -> { s with left_overhang = l |> a |> Some } + +///Adds the arrow to a left hairpin halfseg. Note that this is specifically for left hairpins, because they are special in that they are interpreted as lower strands but have their arrow pointing right (like upper strands). Right hairpins do not need special handling in this sense, because their arrow is pointing left, as is normal for lower strands. +let add_seg_arrow_hp s = + let a = add_arrow true in + match s.left_overhang with + | None -> { s with middle = s.middle |> a } + | Some l -> { s with left_overhang = l |> a |> Some } + +///This type represents a part of a gate. The part can be a Two, which corresponds to a standard segment made of two half-segs. Or it can be a hairpin. If it's a hairpin, it's a single half-seg, and it can be on the left or on the right. +type gate_strands = + ///Standard part. Has an upper halfseg, and a lower halfseg. + | Two of svg_halfseg * svg_halfseg + ///Hairpin part to the left. Both overhangs are to the right. This is interpreted as a lower strand: the field named left_overhang is the top overhang; the field named right_overhang is the bottom overhang. + | OneL of svg_halfseg + ///Hairpin part to the right. Both overhangs are to the left. This is interpreted as a lower strand: the field named left_overhang is the bottom overhang; the field named right_overhang is the top overhang. + | OneR of svg_halfseg + +///Orients a rendered left-to-right domain list according to whether it is part of an upper strand (if it isn't, it gets rotated so that it becomes right-to-left). Here g is an SVG group that contains a rendered domain list. If the shift flag is specified, the result is translated backwards by its length. The result is then translated by v. +let spin mode upper shift v g = + let segment_sep = match mode with + | Complement -> segment_sep_complement + | Condensed -> segment_sep_condensed + | Nucleotides -> segment_sep_nucleotides + let rg = if upper then g else g |> Svg.rotate_group_around_anchor "start" 180.0 in + let sg = if shift then Svg.attach_group_to (g, "start") (rg, "end") else rg in + let tg = sg |> Svg.translate_group_by v in + if upper then tg else tg |> Svg.translate_group_by segment_sep + +///Converts a domain list into an svg_strand. The east anchor is at the origin. The single flag indicates whether this is a single strand. +let melt_dom_list mode mapping single upper shift v ds = + let rev = if upper then Lib.id else List.rev in + // Determine the exact positioning of the label, depending on the mode and the strand type. + let label = match (mode, single, upper) with + | (Condensed, _, true) -> Some UpperInner + | (Condensed, false, false) -> None + | (Condensed, true, false) -> Some LowerInner + | (Nucleotides, _, true) -> Some UpperInner + | (Nucleotides, _, false) -> Some LowerInner + | (_, _, true) -> Some UpperOuter + | (_, _, false) -> Some LowerOuter + let g = ds |> rev |> dom_list_to_svg mode mapping label |> spin mode upper shift v in + { strand = g.content |> (function Svg.Paths ps -> ps | Svg.Raw _ -> []) + ; start_anchor = Svg.get_anchor_point "start" g + ; end_anchor = Svg.get_anchor_point "end" g + ; east_anchor = Svg.origo } + +///Converts a Strand.t into a halfseg. The halfseg is just a middle strand in this case. +let melt_strand mode mapping single s = + let strand = s |> Strand.domains |> melt_dom_list mode mapping single (Strand.is_upper s) true Svg.origo |> add_arrow (Strand.is_upper s) in + { left_overhang = None + ; middle = strand + ; right_overhang = None } + +///Converts a domain list into an svg_strand. The east anchor is at the origin. +let melt_dom_list_o mode mapping single upper shift v = function [] -> None | ds -> melt_dom_list mode mapping single upper shift v ds |> Some + +///Converts a domain list into a hairpin halfseg. +let melt_dom_list_hp mode mapping right v ds = + let g = dom_list_to_hp_svg mode mapping ds |> spin mode right right v in + { strand = g.content |> (function Svg.Paths ps -> ps | Svg.Raw _ -> []) + ; start_anchor = Svg.get_anchor_point "start" g + ; end_anchor = Svg.get_anchor_point "end" g + ; east_anchor = Svg.origo } + +///Converts a double-stranded domain sequence into two svg_strand (upper and lower). +let melt_shared mode mapping s = + let su, sl = Domain.unstick_keep_doc_list s in + let u = su |> melt_dom_list mode mapping false true false Svg.origo in + let l = sl |> melt_dom_list mode mapping false false true Svg.origo in + u, l + +///Converts a Segment.t into a gate_strands. +let melt_segment mode mapping s = + match s with + | Segment.Double (lb,lt,s,rt,rb) -> + // Get two svg-strands in default position (i.e. start at the origin). + let t, b = melt_shared mode mapping s in + // Bottom-left: rotate it, do not shift it, leave the start at the origin. + let mlb = lb |> melt_dom_list_o mode mapping true false false Svg.origo in + // Top-left: do not rotate it, shift it, leave the start at the origin. + let mlt = lt |> melt_dom_list_o mode mapping true true true Svg.origo in + // Bottom-right: rotate it, shift it, put it at the end of the double strand. + let mrb = rb |> melt_dom_list_o mode mapping true false true t.end_anchor in + // Top-right: do not rotate it, do not shift it, put it at the end of the double strand. + let mrt = rt |> melt_dom_list_o mode mapping true true false t.end_anchor in + + let hst = { left_overhang = mlt + ; middle = t + ; right_overhang = mrt } in + let hsb = { left_overhang = mlb + ; middle = b + ; right_overhang = mrb } in + Two (hst, hsb) + | Segment.Hairpin (rb,rt,s,hp,Segment.Left) -> (* ignoring top *) + let t, b = melt_shared mode mapping s in + // Hairpin: do not rotate it, leave the start at the origin. + let mhp = hp |> melt_dom_list_hp mode mapping false Svg.origo in + // Bottom overhang: rotate it, shift it, put it at the end of the double strand. + let mrb = rb |> melt_dom_list_o mode mapping true false true t.end_anchor in + // Top overhang: do not rotate it, do not shift it, put it at the end of the double strand. + let mrt = rt |> melt_dom_list_o mode mapping true true false t.end_anchor in + // The hairpin is logically shifted to be considered as a bottom-strand. Therefore, the top overhang becomes the left overhang, the double strand becomes a single strand with the hairpin in the middle, and the bottom overhang becomes the right overhang. <= --> -v- + let hs = { left_overhang = mrt + // Note that you can use either -@ or -& to join b and mhp, because the east anchor for middle will ultimately get set by t anyway. + ; middle = b -@ mhp -@ t + ; right_overhang = mrb } in + OneL hs + | Segment.Hairpin (lb,lt,s,hp,Segment.Right) -> (* ignoring top *) + let t, b = melt_shared mode mapping s in + // Bottom overhang: rotate it, do not shift it, leave the start at the origin. + let mlb = lb |> melt_dom_list_o mode mapping true false false Svg.origo in + // Top overhang: do not rotate it, shift it, leave the start at the origin. + let mlt = lt |> melt_dom_list_o mode mapping true true true Svg.origo in + // Hairpin: rotate it, put it at the end of the double strand. + let mhp = hp |> melt_dom_list_hp mode mapping true t.end_anchor in + // The hairpin is logically shifted to be considered a bottom-strand. Therefore, the bottom overhang becomes the left overhand, the double strand becomes a single strand with the hairpin in the middle, and the top overhang becomes the right overhang. => --> -v- + let hs = { left_overhang = mlb + // Note that it doesn't matter whether you use -@ or -& to join t, mhp and b. It's a right-hairpin, so nothing will get anchored east of it anyway. + ; middle = t -@ mhp -@ b + ; right_overhang = mlt } in + OneR hs + +///Bends the left overhang, assuming this is a top strand. +let bend_upper_left s = { s with left_overhang = s.left_overhang |> Lib.option_map2 (bend_end true bend_angle) } +///Bends the left overhang, assuming this is a lower strand. Can also bend the bottom overhang of a right-hairpin. +let bend_lower_left s = { s with left_overhang = s.left_overhang |> Lib.option_map2 (bend_start false -bend_angle) } +///Bends the right overhang, assuming this is a top strand. +let bend_upper_right s = { s with right_overhang = s.right_overhang |> Lib.option_map2 (bend_start true -bend_angle) } +///Bends the right overhang, assuming this is a bottom strand. Can also bend the bottom overhang of a left-hairpin. +let bend_lower_right s = { s with right_overhang = s.right_overhang |> Lib.option_map2 (bend_end false bend_angle) } +///Bends the upper overhang, assuming this is a left hairpin (therefore, the upper overhang is the left overhang). +let bend_upper_left_hp s = { s with left_overhang = s.left_overhang |> Lib.option_map2 (bend_start true -bend_angle) } +///Bends the upper overhang, assuming this is a right hairpin (therefore, the upper overhang is the right overhang). +let bend_upper_right_hp s = { s with right_overhang = s.right_overhang |> Lib.option_map2 (bend_end true bend_angle) } + +///Returns true if the strand has a left overhang. +let has_left s = Option.isSome s.left_overhang +///Returns true if the strand has a right overhang. +let has_right s = Option.isSome s.right_overhang + +///Connects two segments with a lower join. Returns the new segment, plus maybe a loose strand. A loose strand happens when the join operation results in two upper strands. In that case, the rightmost upper strand becomes the upper strand of the new segment, while the leftmost upper strand is returned separately. This design is in support of connecting segments left-to-right, so that the leftmost loose strand, if present, won't need to be used again (because any further connection will be on the right). +let connect_lower mode (a:gate_strands) (b:gate_strands) = + match a, b with + | OneL _, OneR _ -> failwith "circular DNA" // i.e. two hairpins touching. + | OneL b1, Two (t, b2) -> + // If both segments also have upper overhangs (left overhang for the left hairpin) on the connecting sides, then they'll need to be extended a bit to prevent the domain names from overlapping after bending. + let b1, t = + match b1.left_overhang, t.left_overhang, b1.right_overhang, b2.left_overhang with + | Some b1l, Some tl, None, None -> + { b1 with left_overhang = b1l |> strut_start cross_gap false |> Some }, + { t with left_overhang = tl |> strut_end cross_gap true |> Some } + | _ -> b1, t in + // If we are using a mode that draws labels on the inside, then the upper overhangs will need to be extended a bit to prevent the domain names from overlapping with the horizontal strand. + let b1 = if mode = Complement then b1 else match b1.left_overhang with None -> b1 | Some b1l -> { b1 with left_overhang = b1l |> strut_start inlabel_gap false |> Some } + let t = if mode = Complement then t else match t.left_overhang with None -> t | Some tl -> { t with left_overhang = tl |> strut_end inlabel_gap true |> Some } + let b = b2 &-- (b1 |> add_seg_arrow_hp |> bend_upper_left_hp) in + Two (t |> bend_upper_left >-- b, b), [] + | Two (t, b1), OneR b2 -> + // If both segments also have upper overhangs (right overhang for the right hairpin) on the connecting sides, then they'll need to be extended a bit to prevent the domain names from overlapping after bending. + let t, b2 = + match t.right_overhang, b2.right_overhang, b1.right_overhang, b2.left_overhang with + | Some tr, Some b2r, None, None -> + { t with right_overhang = tr |> strut_start cross_gap false |> Some }, + { b2 with right_overhang = b2r |> strut_end cross_gap true |> Some } + | _ -> t, b2 in + // If we are using a mode that draws labels on the inside, then the upper overhangs will need to be extended a bit to prevent the domain names from overlapping with the horizontal strand. + let t = if mode = Complement then t else match t.right_overhang with None -> t | Some tl -> { t with right_overhang = tl |> strut_start inlabel_gap false |> Some } + let b2 = if mode = Complement then b2 else match b2.right_overhang with None -> b2 | Some b2l -> { b2 with right_overhang = b2l |> strut_end inlabel_gap true |> Some } + OneR ((bend_upper_right_hp b2) &-- b1), [t |> add_seg_arrow true |> bend_upper_right] + | Two (t1, b1), Two (t2, b2) -> + // If both segments also have upper overhangs on the connecting sides, then they'll need to be extended a bit to prevent the domain names from overlapping after bending. + let t1, t2 = + match t1.right_overhang, t2.left_overhang, b1.right_overhang, b2.left_overhang with + | Some t1r, Some t2l, None, None -> + { t1 with right_overhang = t1r |> strut_start cross_gap false |> Some }, + { t2 with left_overhang = t2l |> strut_end cross_gap true |> Some } + | _ -> t1, t2 in + // If we are using a mode that draws labels on the inside, then the upper overhangs will need to be extended a bit to prevent the domain names from overlapping with the horizontal strand. + let t1 = if mode = Complement then t1 else match t1.right_overhang with None -> t1 | Some t1l -> { t1 with right_overhang = t1l |> strut_start inlabel_gap false |> Some } + let t2 = if mode = Complement then t2 else match t2.left_overhang with None -> t2 | Some t2l -> { t2 with left_overhang = t2l |> strut_end inlabel_gap true |> Some } + let b = b2 &-- b1 in + Two (t2 |> bend_upper_left >-- b, b), [t1 |> add_seg_arrow true |> bend_upper_right] + | _ -> failwith "malformed species" // i.e. with a right-hairpin on the left or vice versa. + +///Connects two segments with an upper join. Returns the new segment, plus maybe a loose strand. A loose strand happens when the join operation results in two lower strands. In that case, the rightmost lower strand becomes the lower strand of the new segment, while the leftmost lower strand is returned separately. This design is in support of connecting segments left-to-right, so that the leftmost loose strand, if present, won't need to be used again (because any further connection will be on the right). +let connect_upper mode (a:gate_strands) (b:gate_strands) = + match a, b with + | OneL _, OneR _ -> failwith "circular DNA" // i.e. two hairpins touching. + | OneL b1, Two (t, b2) -> + // If both segments also have lower overhangs (right overhang for the left hairpin) on the connecting sides, then they'll need to be extended a bit to prevent the domain names from overlapping after bending. + let b1, b2 = + match b1.right_overhang, b2.left_overhang, b1.left_overhang, t.left_overhang with + | Some b1r, Some b2l, None, None -> + { b1 with right_overhang = b1r |> strut_end cross_gap false |> Some }, + { b2 with left_overhang = b2l |> strut_start cross_gap true |> Some } + | _ -> b1, b2 in + // If we are using a mode that draws labels on the inside, then the upper overhangs will need to be extended a bit to prevent the domain names from overlapping with the horizontal strand. + let b1 = if mode = Complement then b1 else match b1.right_overhang with None -> b1 | Some b1l -> { b1 with right_overhang = b1l |> strut_end inlabel_gap false |> Some } + let b2 = if mode = Complement then b2 else match b2.left_overhang with None -> b2 | Some b2l -> { b2 with left_overhang = b2l |> strut_start inlabel_gap true |> Some } + let t2 = (b1 |> bend_lower_right) --& t in + Two (t2, b2 |> add_seg_arrow false |> bend_lower_left >-- t2), [] + | Two (t, b1), OneR b2 -> + // If both segments also have lower overhangs (left overhang for the right hairpin) on the connecting sides, then they'll need to be extended a bit to prevent the domain names from overlapping after bending. + let b1, b2 = + match b1.right_overhang, b2.left_overhang, t.right_overhang, b2.right_overhang with + | Some b1r, Some b2l, None, None -> + { b1 with right_overhang = b1r |> strut_end cross_gap false |> Some }, + { b2 with left_overhang = b2l |> strut_start cross_gap true |> Some } + | _ -> b1, b2 in + // If we are using a mode that draws labels on the inside, then the upper overhangs will need to be extended a bit to prevent the domain names from overlapping with the horizontal strand. + let b1 = if mode = Complement then b1 else match b1.right_overhang with None -> b1 | Some b1l -> { b1 with right_overhang = b1l |> strut_end inlabel_gap false |> Some } + let b2 = if mode = Complement then b2 else match b2.left_overhang with None -> b2 | Some b2l -> { b2 with left_overhang = b2l |> strut_start inlabel_gap true |> Some } + OneR (t @-- (b2 |> add_seg_arrow false |> bend_lower_left)), [b1 |> bend_lower_right] + | Two (t1, b1), Two (t2, b2) -> + // If both segments also have lower overhangs on the connecting sides, then they'll need to be extended a bit to prevent the domain names from overlapping after bending. + let b1, b2 = + match b1.right_overhang, b2.left_overhang, t1.right_overhang, t2.left_overhang with + | Some b1r, Some b2l, None, None -> + { b1 with right_overhang = b1r |> strut_end cross_gap false |> Some }, + { b2 with left_overhang = b2l |> strut_start cross_gap true |> Some } + | _ -> b1, b2 in + // If we are using a mode that draws labels on the inside, then the upper overhangs will need to be extended a bit to prevent the domain names from overlapping with the horizontal strand. + let b1 = if mode = Complement then b1 else match b1.right_overhang with None -> b1 | Some b1l -> { b1 with right_overhang = b1l |> strut_end inlabel_gap false |> Some } + let b2 = if mode = Complement then b2 else match b2.left_overhang with None -> b2 | Some b2l -> { b2 with left_overhang = b2l |> strut_start inlabel_gap true |> Some } + let t = t1 --@ t2 in + Two (t, (b2 |> add_seg_arrow false |> bend_lower_left) >-- t), [b1 |> bend_lower_right] + | _ -> failwith "malformed species" // i.e. with a right-hairpin on the left or vice versa. + +///Produces the SVG intermediate structure for a Gate.t. Remember that a Gate.t is a list of upper-linked lists of lower-linked segments, left to right. +let rec melt_gate mode mapping g = + ///Need to spread the left side of the first segment iff it has overhangs both top and bottom. + let should_spread_left = + match Gate.first_segment g with + | Segment.Double (lb, lt, _, _, _) + | Segment.Hairpin (lb, lt, _, _, Segment.Right) -> lb <> [] && lt <> [] + | _ -> false in + ///Need to spread the right side of the last segment iff it has overhangs both top and bottom. + let should_spread_right = + match Gate.last_segment g with + | Segment.Double (_, _, _, rt, rb) + | Segment.Hairpin (rb, rt, _, _, Segment.Left) -> rb <> [] && rt <> [] + | _ -> false in + ///Converts all of the specified Segment.t into single gate_strands, and joins them with the specified gate_strand, left-to-right, with lower joins. + let collect_lower gs segs = + let gss = List.map (melt_segment mode mapping) segs in + let f (prev_gs, ss) gs = + let (next_gs, extra_ss) = connect_lower mode prev_gs gs in + next_gs, extra_ss @ ss in + Lib.fold_left f gs gss in + ///Converts all of the specified Segment.t lists into lower-joined gate_strands, and joins them with the specified gate_strand, left-to-right, with upper joins. + let collect_upper gs segss = + let f (prev_gs, ss) = function + | [] -> prev_gs, ss + | seg::segs -> + let gs = melt_segment mode mapping seg in + let (next_gs, extra_ss) = connect_upper mode prev_gs gs in + collect_lower (next_gs, extra_ss @ ss) segs in + Lib.fold_left f gs segss in + ///Adds the left-pointing arrow to a gate_strands (whether it is a hairpin or not). + let add_arrow_left s = + match s with + | OneL _ -> s + | OneR l -> l |> add_seg_arrow false |> OneR + | Two (u, l) -> Two (u, l |> add_seg_arrow false) in + ///Adds the right-pointing arrow to a gate_strands (whether it is a hairpin or not). + let add_arrow_right s = + match s with + | OneL l -> l |> add_seg_arrow_hp |> OneL + | OneR _ -> s + | Two (u, l) -> Two (u |> add_seg_arrow true, l) in + ///Bends the overhangs of first segment. These will be left-overhangs. + let spread_left s = + if should_spread_left then + match s with + // If the first segment is a left-hairpin, take no action, because it cannot have left-overhangs. + | OneL _ -> s + // If the first segment is a right-hairpin, then bend the left overhang (lower), but also bend the right overhang, because in a right-hairpin that's visually the upper left. + | OneR l -> l |> bend_lower_left |> bend_upper_right_hp |> OneR + //| OneR _ -> s + | Two (u, l) -> Two (u |> bend_upper_left, l |> bend_lower_left) + else s in + let spread_right s = + if should_spread_right then + match s with + | OneL l -> l |> bend_lower_right |> bend_upper_left_hp |> OneL + | OneR _ -> s + //| OneR l -> l |> bend_lower_left |> bend_upper_right_hp |> OneR + | Two (u, l) -> (u |> bend_upper_right, l |> bend_lower_right) |> Two + else s in + match g with + | [] -> [] + | []::segs -> melt_gate mode mapping segs + | (seg::segs)::segss -> + let lowers = collect_lower (melt_segment mode mapping seg |> add_arrow_left |> spread_left, []) segs in + let gs, ss = collect_upper lowers segss in + match gs |> add_arrow_right |> spread_right with + | OneL l -> l::ss + | OneR l -> l::ss + | Two (u, l) -> u::l::ss + +///Converts a svg_halfseg to an SVG group. +let halfseg_to_svg hs = + let l = match hs.left_overhang with None -> [] | Some s -> s.strand in + let r = match hs.right_overhang with None -> [] | Some s -> s.strand in + { Svg.name = "" + ; Svg.content = l @ hs.middle.strand @ r |> Svg.Paths + ; Svg.anchors = [] + ; Svg.debug_anchors = false + ; Svg.sub_groups = [] + ; Svg.offset = None } + +///Produces the SVG representation of a species. Requires the rendering mode, and the sequences mapping (for nucleotide mode). +let melt mode mapping (s:Species.t) = + let group_of_strand st = [st |> melt_strand mode mapping true |> halfseg_to_svg] |> Svg.emerge_groups in + let group_of_gate = melt_gate mode mapping >> List.map halfseg_to_svg >> Svg.emerge_groups in + match s with + | Species.STRAND st -> st |> group_of_strand + | Species.GATE g -> g |> group_of_gate + | Species.ORIGAMI o -> + let gs, ss = Origami.origami_species o in + let strands = ss |> List.map group_of_strand in + let gates = gs |> List.map group_of_gate in + let b = (strands @ gates) |> Svg.stackv origami_sep species_skip in + let border_label = "" in + let border_inset = (String.length border_label * letterwidth |> float) / 2.0 in + let border_offset = { Svg.x = 2.0; Svg.y = 2.0 } in + let border_dim = b.box_dim |> Svg.translate_point_by (border_offset |> Svg.scale_by -1.0) in + { box_group = { b.box_group with + content = [ { Svg.path_class = baseClass + " origami-border" |> Some + ; Svg.commands = Svg.rounded_box border_offset border_dim origami_round + ; Svg.path_label = { Svg.label_text = border_label + ; Svg.label_anchor = Svg.sub b.box_dim origami_sep |> Svg.translate_point_by { x = -border_inset; y = 0.0 } + ; Svg.label_class = Some baseClass + ; Svg.letter_width = Svg.default_letter_width + ; Svg.label_dir = Svg.sub b.box_dim origami_sep |> Svg.translate_point_by { x = (*1*)0.0 - border_inset; y = 0.0 } } |> Some } ] + |> Svg.Paths } + ; box_dim = b.box_dim } + | _ -> raise (new System.Exception("The visualisation of complex and unknown species is not yet implemented")) + +///Produces the CSS style for the SVG produced by this module. Requires the set of domain->color associations. The rest of the styles are fixed. +let style cm = + let dom_styles = cm |> Lib.string_of_list (fun (id, col) -> "path."+baseClass+"."+id + " { stroke: " + col + " } text."+baseClass+"."+id+" { fill: " + col + " }") " " in + let base_style = "g { fill: none; } path."+baseClass+" { stroke: silver; stroke-width: " + Svg.display_float linewidth + "; stroke-linejoin: round; } text."+baseClass+" { fill: black; stroke-width: 0; font-family: Verdana,Arial,sans-serif; font-size: " + string (int fontsize) + "px; text-anchor: middle; } text.fixedwidth { font-family:Lucida Console,monospace }" + let tether_style = "path."+baseClass+".tether-pin { stroke : black }" + base_style + " " + dom_styles + " " + tether_style + +let palette = [ "red"; "green"; "blue"; "orange"; "purple" + ; "cyan"; "brown"; "magenta"; "dodgerblue"; "orchid" + ; "lawngreen"; "lightskyblue"; "darksalmon"; "teal"; "rosybrown" + ; "navajowhite"; "olive"; "darkseagreen"; "darkgoldenrod"; "pink" ] + +///Takes a partial map of domains->colors and a complete list of species, and returns a complete map of domain IDs->colors. +let dom_map (dcs:Hashtable.t) species_list = + let dom_name d = d |> Domain.unstar |> Domain.to_string + let (_,taken_colours) = Hashtable.to_list dcs |> List.unzip + let free_colours = palette |> List.filter (fun c -> List.exists ((=) c) taken_colours |> not) in + let dom_counter = ref 0 in + let ret = Hashtable.empty() in + let add d = + let d_id = d |> dom_id in + match d_id |> Hashtable.tryFind ret with + | None -> + let name = d |> dom_name in + let colour = match name |> Hashtable.tryFind dcs with + | None -> + let c = free_colours.[!dom_counter] in + dom_counter := (!dom_counter + 1) % free_colours.Length; + c + | Some c -> c in + Hashtable.add ret d_id colour + | Some _ -> () + let xx = species_list + |> List.collect Species.domains + |> List.filter Domain.is_toehold + |> Lib.remove_duplicates (=) + List.iter add xx; + ret + +///Returns the CSS style for the SVG representation of the given species. You can pass a partial map of domains->colors; the rest of the domains will get assigned colors automatically. +let species_style dc sp = + let dc = dom_map dc sp + dc |> Hashtable.to_list |> style + +///Returns an SVG representation of a species, with the specified rendering mode. +let species_to_svg_mode (mode:renderer_mode) (mapping:Sequence.mapping) s = s |> melt mode mapping +///Returns an SVG representation of a species, with the default rendering mode. +let species_to_svg s = species_to_svg_mode Complement Sequence.empty s \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/svg.fsi b/ClassicDSD/ClassicDSDDotNet/svg.fsi new file mode 100644 index 0000000..960acb2 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/svg.fsi @@ -0,0 +1,11 @@ +module Microsoft.Research.DNA.Svg +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine +open Microsoft.Research.DNA.Options + +module Species = Microsoft.Research.DNA.Species +module CrnSvg = Microsoft.Research.CRNEngine.Svg + +val species_style : Hashtable.t -> Species.t list -> string +val species_to_svg : Species.t -> CrnSvg.box +val species_to_svg_mode : renderer_mode -> Sequence.mapping -> Species.t -> CrnSvg.box \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/syntax.fs b/ClassicDSD/ClassicDSDDotNet/syntax.fs new file mode 100644 index 0000000..71cf66a --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/syntax.fs @@ -0,0 +1,249 @@ +[] +module Microsoft.Research.DNA.Syntax +open Microsoft.Research.DNA + +module Lib = Microsoft.Research.CRNEngine.Lib +//module Settings = Microsoft.Research.CRNEngine.Settings +//module Plottable = Microsoft.Research.CRNEngine.Plottable +//module ParseResult = Microsoft.Research.CRNEngine.ParseResult +module Expressions = Microsoft.Research.CRNEngine.Expression +type Key<'a> when 'a:equality = Microsoft.Research.CRNEngine.Key<'a> + +type value = Value.t +type value_env = Value.t_env +type dom_assignment = (* add bind and unbind here *) + { domain : string + ; dom_colour : string option + ; subdomains : (string list * bool) option } (* subdomains, is_short *) +type dom_env = dom_assignment list +type key = string +type parameter = Pattern.t +type proc = Process.t +type proc_env = Process.t_env +type spec = Process.dom_data +type species = Species.t + +(* The type of DSD plot specifications, listing items to monitor *) +type plot_pat = + | All + | Pats of value list (* value list may contain wildcards denoted with _ *) + +type t_plot_base = + | String of string + | Molecule of Species.t + | Module of string * plot_pat +type t_plot = t_plot_base Expressions.t + +//let t_dummy = Value.Float (0.0, Types.emprange) +let t_dummy = None +let t_plot_to_expr p = + let f = function + | Molecule s -> Process.from_species t_dummy s + | Module (m, Pats ps) -> Process.Instance (m, Types.emprange, ps, t_dummy) + | _ -> failwith "Can only convert species" in + Expressions.map f p + +(* The type of DSD program syntax. *) +type t = + | New of ((string * (string * spec) list) * bool * t) + | Definition of (string * Types.range * parameter list * proc * t) + | Value of (string * value * t) + | Process of proc +// | Predicate of string * t_plot_base Expressions.pred * t +// | Query of string * (species ParseResult.settings_update list option * t_plot_base Expressions.pred) * t +(* + t_plots have to be turned into plottables after parsing + when the environment (declared domains) is known, so we + gather them in this structure during parsing. +*) +type event = + | Ev_species of Process.t * value * value (* species, amount, time *) + //| Ev_param of SettingsConstants.filzparam * value * value (* parameter, new value, time *) + | Ev_endtime of value + +type parsed_plots = + { plottables : t_plot list + ; sweep_fits : (string * string * t_plot list) list + ; events : event list } + (* here we could add spatial plots *) +let empty_parsed_plots = { plottables = []; sweep_fits = []; events = [] } + +(* Remove string keys from the supplied list of pairs. This is used in the "free names" function below. *) +let remove_pairlist (l:string list) (xs:(string * 'a) list) = + match l,xs with + | _,[] -> [] + | [],xs -> xs + | l,xs -> List.filter (fun (x,_) -> not(Lib.contains x l)) xs + +(* Compute the free names of a program. *) +let rec free_names (s:t) = + match s with + | New((n,specs),_,s) -> + (List.collect (fun s -> match s with (_,Process.Rate v) -> (Value.free_names v) | _ -> []) specs) + @ (remove_pairlist [n] (free_names s)) + | Value(n,v,s) -> (Value.free_names v) @ (remove_pairlist [n] (free_names s)) + | Definition(x,_,ms,p,s) -> (remove_pairlist (x::(Pattern.toStringList ms)) (Process.free_names p)) @ (remove_pairlist [x] (free_names s)) + | Process(p) -> Process.free_names p + +(* Infer types and return exceptions to report errors. *) +let rec inferTypes (env:Types.type_env) = function + | New((n,specs),fresh,s) -> + Process.type_check_system n specs fresh env + inferTypes ((n,(ref (Types.DomainT (None,Types.emprange))))::env) s + | Value(n,v,s) -> + let t = Value.inferType env v in + inferTypes ((n,t)::env) s + | Definition(x,_(*rng*),ms,p,s) -> + let parm_types = Pattern.toTypes(ms) in + let parm_list = Pattern.toTypeEnv(parm_types,ms) in + Process.inferTypes None (parm_list @ env) p + inferTypes ((x,(ref (Types.ModuleT parm_types)))::env) s + | Process(p) -> Process.inferTypes (Some false) env p + + +(* A function to erase position information. *) +let rec erasePosns = function + New((n,specs),fresh,s) -> New((n,Process.dom_spec_map Value.erasePosns specs),fresh,(erasePosns s)) + | Value(n,v,s) -> Value(n,(Value.erasePosns v),(erasePosns s)) + | Definition(x,_(*rng*),ms,p,s) -> Definition(x,Types.emprange,ms,(Process.erasePosns p),(erasePosns s)) + | Process(p) -> Process(Process.erasePosns p) + +let rec extract_modules (n:string) = function + [] -> [] + | Module(x,pat)::modules -> if x = n then pat::(extract_modules n modules) else extract_modules n modules + | _::_ -> failwith "A non-module in module-only list" + +(* A function that filters module plot patterns, generates a function to check the pattern, and add to the proc_env *) +let rec add_plot_monitors (env:value_env) (toplot:t_plot_base list) = function + [] -> [] + | Process.Def(x,ps,_(*monitor*),p)::defs -> + (let patterns = extract_modules x toplot in + match List.tryFind (fun x -> match x with All -> true | _ -> false) patterns with + Some _ -> Process.Def(x,ps,(fun _ -> true),p) + | None -> + let env = (Value.Val("_",Value.Variable("_",Types.emprange))::env) in + let num_ps = List.length ps in + let allIn fv env = Lib.fold_left (&&) true (List.map (Value.varInEnv env) fv) in + let rec removeInvalidPats (ls:value list list) fvs = + match (ls,fvs) with + | [],[] -> [] + | l::ls,fv::fvs -> + if (allIn fv env) && (List.length l = num_ps) then + l::(removeInvalidPats ls fvs) + else (removeInvalidPats ls fvs) + | _,_ -> failwith "removeInvalidPats given strings of unequal length" in + let pats = (List.map (fun a -> match a with Pats v -> v | All -> []) patterns) in + let free_vars = List.map (fun l -> Lib.remove_duplicates (=) + (List.map fst (Lib.fold_left (fun sl v -> (Value.free_names v)@sl) [] l))) + pats in + let valid_pats = removeInvalidPats pats free_vars in + let eval_plot_pats = List.map (fun l -> List.map (Value.eval env) l) valid_pats in + Process.Def(x,ps,(fun vals -> + List.fold (||) false + (List.map (fun pat -> + (List.fold (&&) true (List.map2 (fun v v2 -> (Value.matching (v,v2))) pat vals))) + eval_plot_pats)), p)) + ::add_plot_monitors env toplot defs + + + +(* Expand syntax into the environments, type check, and remove position info *) +let expand (opts:Options.t) base_env (plot_modules: t_plot_base list) (s:t) = + (* A function to close the program with additional "new" declarations (at the default rate) to quantify out the free names. *) + let quantify n s = New((n,[]),false,s) in + (* Only quantify out the free names if the appropriate option is enabled. *) + let s = if Options.getDeclareDomains opts + then s + else let to_be_newed = Lib.remove_duplicates (=) (List.filter (fun n -> List.forall (fun (bn, _) -> n <> bn) base_env) (List.map fst (free_names s))) + Lib.fold_left (fun s n -> quantify n s) s to_be_newed + (* Check for type errors now. This function raises an exception if it finds an error. *) + inferTypes base_env s |> ignore + (* Erase the position information. + * THIS IS IMPORTANT SO STRUCTURAL EQUALITY CAN BE USED IN THE SIMULATOR! *) + let s = erasePosns s + (* The function which does the expanding. *) + let rec do_expand (counter:int) (names:string list) (e:proc_env) (ev:value_env) (ce:dom_env) (s:t) (*ps qs*) = + match s with + | New((n,specs),_(*fresh*),s) -> + let (counter:int),(c:int),(names:string list) = + if (*fresh*) true then + if List.contains n names then + counter+1,counter+1,names + else counter,0,n::names + else counter,0,names + + let especs = Process.dom_spec_map (Value.eval ev) specs in + let dspec = + { domain = n + ; dom_colour = List.tryPick (function (_, Process.Colour (c, _)) -> Some c | _ -> None) especs + ; subdomains = List.tryPick (function (_, Process.Subdomains (ds, _)) -> Some ds | _ -> None) especs } + do_expand counter names e (Value.Sys(n,Process.eval_system opts n c especs)::ev) (dspec::ce) s (*ps qs*) + | Value(n,v,s) -> do_expand counter names e (Value.Val(n, Value.eval ev v)::ev) ce s (*ps qs*) + | Definition(x,_,ms,p,s) -> do_expand counter names (Process.Def(x,ms,(fun _ -> false),p)::e) ev ce s (*ps qs*) + | Process(p) -> counter,names,p,e,ev,ce(*,ps,qs*) + (* + | Predicate (n, exp, s) -> expand counter names e ev ce s ((n,exp)::ps) qs + | Query (n, exp, s) -> expand counter names e ev ce s ps ((n,exp)::qs) + *) + + (* Actually call the expander function. *) + List.map fst base_env |> ignore // env_names + let s_names = List.map fst (free_names s) + let (counter,names,p,e,ev,ce(*,ps,qs*)) = do_expand 0 s_names [] [] [] s (*[] []*) + (counter,names,p,(add_plot_monitors ev plot_modules e),ev,ce(*,ps,qs*)) + +let rec t_plot_base_to_species (eval_proc:Process.t -> Species.t_map list) = function + | String s -> failwith ("Cannot map plottable string: " + s) + | Molecule p -> p + | Module (m, Pats vs) -> (*failwith "Module not removed from plot list"*) + let p = Process.Instance (m, Types.emprange, vs, t_dummy) in + let assert_one = function + | Expressions.Float 1.0 -> () + | v -> failwith ("Multiplicity " + (Expressions.to_string id v) + " in plotted module " + m + (" (only 1.0 allowed).")) in + (match List.map (fun (s, v, _:bool, _:bool, _, _) -> assert_one v; t_plot_base_to_species eval_proc (Molecule s)) (eval_proc p) with + | [s] -> s + | _ -> failwith ("Plotted module " + m + " produces more than one species")) + | Module (m, _) -> failwith ("Module " + m + " not removed from plot list") + +let rec plot_map eval_proc (p: t_plot ) : species Expressions.t = + p |> Expressions.map (t_plot_base_to_species eval_proc >> Species.erasePos >> Species.universal_counters) + +(* Separates modules to plot from molecules. Currently does not allow a Module within an operation *) +let rec extractModules (plots: t_plot list) = + match plots with + | [] -> [], [] + | Expressions.Key (Module (s, All))::plots -> + let without, withm = extractModules plots + without, Module(s, All)::withm + | v::plots -> + let without, withm = extractModules plots + v::without, withm + +let add_to_plots (sps : Species.t_env) (plts : t_plot list) = (List.map (Molecule >> Expressions.Key) (Species.env_to_plot_species sps)) @ plts + +let rec display (syn : t ) = + match syn with + | New ((name, ps), isNew, syn') -> + let newPar (name, p) = + name + " = " + match p with + | Process.DNA(s, _) -> s + | Process.Colour(s, _) -> "\"" + s + "\"" + | Process.Rate var -> Value.to_string var + | Process.Subdomains ((d, s), _) -> "[ "+ String.concat "; " d + if s then "*" else "" + " ]" + let parameters = + match ps with + | [] -> "" + | [("bind",Process.Rate(b));("unbind",Process.Rate(u))] + | [("unbind",Process.Rate(u));("bind",Process.Rate(b))] -> " @ " + Value.to_string b + ", " + Value.to_string u + | _ -> " = {" + String.concat "; " (List.map newPar ps) + "}" + let newOrDom = if isNew then "new" else "dom" + newOrDom + " " + name + " " + parameters + "\n" + display syn' + | Definition (name, _, ps, p, syn') -> + let pars = "(" + String.concat ", " (Pattern.toStringList ps) + ")" + let innerProc = Process.display p + let pDisplay = if innerProc.Contains "\n" + then ("\n (" + innerProc.Replace("\n", "\n ")) + ")" + else innerProc + "def " + name + pars + " = "+ pDisplay + "\n" + display syn' + | Value (var, value, syn') -> "def " + var + " = " + Value.to_string value + "\n" + display syn' + | Process p -> Process.display p \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/syntax.fsi b/ClassicDSD/ClassicDSDDotNet/syntax.fsi new file mode 100644 index 0000000..cb49f38 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/syntax.fsi @@ -0,0 +1,72 @@ +module Microsoft.Research.DNA.Syntax +open Microsoft.Research.DNA + +//module Settings = Microsoft.Research.CRNEngine.Settings +//module SettingsConstants = Microsoft.Research.CRNEngine.SettingsConstants +//module Plottable = Microsoft.Research.CRNEngine.Plottable +//module ParseResult = Microsoft.Research.CRNEngine.ParseResult +module Expressions = Microsoft.Research.CRNEngine.Expression + +type value = Value.t +type value_env = Value.t_env +type dom_assignment = (* add bind and unbind here *) + { domain : string + ; dom_colour : string option + ; subdomains : (string list * bool) option } (* subdomains, is_short *) +type dom_env = dom_assignment list +type proc = Process.t +type proc_env = Process.t_env +type spec = Process.dom_data +type parameter = Pattern.t +type species = Species.t +(* The type of DSD plot specifications, listing items to monitor *) +type plot_pat = + | All + | Pats of value list (* value list may contain wildcards denoted with _ *) +type t_plot_base = + | String of string + | Molecule of Species.t + | Module of string * plot_pat +type t_plot = t_plot_base Expressions.t + +val t_plot_to_expr : t_plot -> proc Expressions.t + +type t = + | New of ((string * (string * spec) list) * bool * t) + | Definition of (string * Types.range * parameter list * proc * t) + | Value of (string * value * t) + | Process of proc +(* + | Predicate of string * t_plot_base Expressions.pred * t + | Query of string * (species ParseResult.settings_update list option * t_plot_base Expressions.pred) * t +*) + +(* + t_plots have to be turned into plottables after parsing + when the environment (declared domains) is known, so we + gather them in this structure during parsing. +*) +type event = + | Ev_species of Process.t * value * value (* species, amount, time *) + //| Ev_param of SettingsConstants.filzparam * value * value (* parameter, new value, time *) + | Ev_endtime of value + +type parsed_plots = + { plottables : t_plot list + ; sweep_fits : (string * string * t_plot list) list + ; events : event list } + (* here we could add spatial plots *) +val empty_parsed_plots : parsed_plots + +val expand : Options.t -> Types.type_env -> t_plot_base list -> t -> (int * string list * proc * proc_env * value_env * dom_env (* * (string * t_plot_base Expressions.pred) list * (string * (species ParseResult.settings_update list option * t_plot_base Expressions.pred)) list*)) + +(* Functions which communicate plot information between the creation of species and the Term *) +val t_plot_base_to_species : (Process.t -> Species.t_map list) -> t_plot_base -> species +val plot_map : (Process.t -> Species.t_map list) -> t_plot -> species Expressions.t +val extractModules : t_plot list -> t_plot list * t_plot_base list +val add_to_plots : Species.t_env -> t_plot list -> t_plot list + +(* This is the return type of the parser. I've put it here as a hack... *) +//type parser_return_type = (Options.t * parsed_plots * species Settings.settings) -> ((Options.t * parsed_plots * species Settings.settings) * t) + +val display : t -> string \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/types.fs b/ClassicDSD/ClassicDSDDotNet/types.fs new file mode 100644 index 0000000..f29760c --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/types.fs @@ -0,0 +1,153 @@ +[] +module Microsoft.Research.DNA.Types +open Microsoft.Research.CRNEngine + +(* Types for storing location information. Useful for error messages! *) +type pos = int * int //Microsoft.FSharp.Text.Lexing.Position +type range = (pos * pos) option (* THE OPTION LETS US ERASE THE POSITIONS SO STRUCTURAL EQUALITY CAN BE USED IN THE SIMULATOR! *) + +let emprange : range = None +let mkRange (pp : pos * pos) : range = Some pp +let rangeBegin (r:range) = fst(Lib.unoption r) +let rangeEnd (r:range) = snd(Lib.unoption r) +let posLine (p:pos) = p |> fst +let posCol (p:pos) = p |> snd + +(* Turn a (line,col) pairinto a string. + * NB: by default, the line numbers start at 0 in Silverlight hence the +1. *) +let format_pos (p:pos) = + "Line " + (string ((posLine p) + 1 )) + ", char " + (string (posCol p)) + +(* Turn two positions (i.e. two (line,col) pairs) into a string. *) +let format_range (p:pos) (p':pos) = + if ((posLine p) = (posLine p')) && ((posCol p) = (posCol p')) then + format_pos p + else + begin + if ((posLine p) = (posLine p')) && ((posCol p) <> (posCol p')) then + (format_pos p) + " - " + (string (posCol p')) + else + (format_pos p) + " - " + (format_pos p') + end + +(* Type for representing the types assigned to syntax.*) +type t = + | BottomT + | TiedT of t ref list * bool option * range list + | StringT of range + | IntT of range + | BoolT of range + | CharT of range + | FloatT of range + | DomainT of bool option * range + | TupT of t ref list * range + | ModuleT of t ref list + +type type_bind = (string * t ref) +type type_env = type_bind list + +let update_range t r = + match t with + | BottomT -> BottomT + | TiedT (tys, s, _) -> TiedT (tys, s, [r]) + | StringT _ -> StringT r + | IntT _ -> IntT r + | BoolT _ -> BoolT r + | CharT _ -> CharT r + | FloatT _ -> FloatT r + | DomainT(t,_) -> DomainT(t,r) + | TupT(ts,_) -> TupT(ts,r) + | ModuleT ts -> ModuleT ts + +(* compare two types *) +let rec equal (t1: t ref) (t2 :t ref) = + System.Object.ReferenceEquals(t1, t2) || + match !t1,!t2 with + | BottomT,BottomT -> true + | TiedT(tys,b,_),TiedT(tys',b',_) -> b=b'&& Lib.forall2 equal tys tys' + | StringT _,StringT _ | IntT _,IntT _ | BoolT _,BoolT _ | CharT _,CharT _ | FloatT _,FloatT _ -> true + | DomainT(kind,_), DomainT(kind',_) -> kind = kind' + | TupT(t1s,_),TupT(t2s,_) -> Lib.forall2 equal t1s t2s + | ModuleT t1s,ModuleT t2s -> Lib.forall2 equal t1s t2s + | _,_ -> false + +let rec type_to_string = function + | BottomT -> "unknown" + | TiedT _ -> "unknown" + | StringT _ -> "string" + | IntT _ -> "int" + | BoolT _ -> "bool" + | CharT _ -> "char" + | FloatT _ -> "float" + | DomainT(None,_) -> "domain" + | DomainT(Some(true),_) -> "normal domain" + | DomainT(Some(false),_) -> "toehold domain" + | TupT(ts,_) -> Lib.string_of_list type_to_string " * " (List.map (!) ts) + | ModuleT ts -> Lib.string_of_list type_to_string ", " (List.map (!) ts) + +let rec types_to_string ts = Lib.string_of_list type_to_string " or " ts + +let is_numeric = function + | IntT _ | FloatT _ | TiedT(_,Some(true),_)-> true + | _ -> false + +let is_num_or_bool = function + | IntT _ | FloatT _ | BoolT _ | TiedT(_,Some _ ,_) -> true + | _ -> false + +let bindings_to_env bs = List.map (fun (n:string, _:float) -> (n, ref (FloatT None))) bs + +(* These functions deal with the category encoded as a bool option in TiedT *) +let in_cat cat t = + match cat with + | Some b -> (b && is_numeric t) || (is_num_or_bool t) + | None -> true + +let merge_cat = function + | (Some(b),Some(b')) -> Some(b || b') + | Some(b),None -> Some(b) + | None,Some(b) -> Some(b) + | None,None -> None + +let unify_possibilities rng possibles = function + | BottomT -> possibles + | TiedT(_,Some(true),_) -> [IntT rng;FloatT rng] |> Lib.intersection (=) possibles + | TiedT(_,Some(false),_) -> [IntT rng; FloatT rng; BoolT rng] |> Lib.intersection (=) possibles + | TiedT(_,None,_) -> possibles + | t -> [t] + +let rec unify rng t1 t2 = + if System.Object.ReferenceEquals(t1, t2) then true else + match !t1, !t2 with + | BottomT, t -> t1 := update_range t rng; true + | t, BottomT -> t2 := update_range t rng; true + | TiedT(ts1,f1,_), TiedT(ts2,f2,_) -> + let f = merge_cat (f1,f2) in + let tys = Lib.union (=) ts1 ts2 in + let t = TiedT (tys, f, [rng]) in + tys |> List.iter (fun tr -> tr := t); + true + | TiedT(ts, cat, _), t + | t, TiedT(ts, cat, _) -> + if in_cat cat t then + let t = update_range t rng in + ts |> List.iter (fun tr -> tr := t); + true + else false + | TupT(t1s,_),TupT(t2s,_) -> Lib.forall2 (unify rng) t1s t2s + | ModuleT t1s,ModuleT t2s -> Lib.forall2 (unify rng) t1s t2s + | _, _ -> equal t1 t2 + + +let rec getBeginPos t = + match t with + | BottomT -> None + | TiedT (_, _, ranges) -> if ranges.IsEmpty then None else ranges.Head + | StringT range -> range + | IntT range -> range + | BoolT range -> range + | CharT range -> range + | FloatT range -> range + | DomainT (_, range) -> range + | TupT (_, range) -> range + | ModuleT types -> if types.IsEmpty then None else getBeginPos (!types.Head) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/types.fsi b/ClassicDSD/ClassicDSDDotNet/types.fsi new file mode 100644 index 0000000..b829eec --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/types.fsi @@ -0,0 +1,51 @@ +module Microsoft.Research.DNA.Types +open Microsoft.Research.CRNEngine + +(* Types for storing location information. Useful for error messages! *) +type pos = int * int //Microsoft.FSharp.Text.Lexing.Position +type range = (pos * pos) option (* THE OPTION LETS US ERASE THE POSITIONS SO STRUCTURAL EQUALITY CAN BE USED IN THE SIMULATOR! *) +(* RLP: An arguably more appropriate approach would be erasing the entire type for the simulator *) + +val emprange : range +val mkRange : pos*pos -> range +val rangeBegin : range -> pos +val rangeEnd : range -> pos +val format_range : pos -> pos -> string + + +(* Type for representing the types assigned to syntax. + BottomT represents an unknown type + TiedT represents a set of types, presently unknown, that must be equal + The option boolean encodes a triple selection between numbers Some(true), numbers + bool Some(false), and +strings None + The range is the position where this type was inferred + In DomainT, the boolean indicates true for normal and false for toe + Modules are assumed not to return anything, since species aren't 'values' + *) +type t = + | BottomT + | TiedT of t ref list * bool option * range list + | StringT of range + | IntT of range + | BoolT of range + | CharT of range + | FloatT of range + | DomainT of bool option * range + | TupT of t ref list * range + | ModuleT of t ref list + +type type_bind = (string * t ref) +type type_env = type_bind list + +val equal : t ref -> t ref -> bool +val type_to_string : t -> string +val types_to_string : t list -> string +val update_range : t -> range -> t +val is_numeric : t -> bool +val is_num_or_bool : t -> bool + +val bindings_to_env : (string * float) list -> type_env + +val getBeginPos : t -> range + +val unify : range -> t ref -> t ref -> bool +val unify_possibilities : range -> t list -> t -> t list diff --git a/ClassicDSD/ClassicDSDDotNet/value.fs b/ClassicDSD/ClassicDSDDotNet/value.fs new file mode 100644 index 0000000..fdc6599 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/value.fs @@ -0,0 +1,552 @@ +[] +module Microsoft.Research.DNA.Value + +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine +open Errors +open Types +open Parser +type parser<'a> = Parser.t<'a> + +module Prim = Microsoft.Research.CRNEngine.Expression +type range = Types.range + +type name = string + +(* The type of binary operators. *) +type op = + | Plus + | Minus + | Mul + | Div + | Power + | Max + | Modulo +(* | Equal + | Different + | Lt + | Gt + | Ltequal + | Gtequal *) + +(* The type of unary functions. *) +type fn = + | Float2Int + | Int2Float + | Sqrt + | Rate + +(* Primitive values are either modelling engine values *) + +type prim = Expression.t + +(* The type of DSD values/expressions. *) +type t = + | String of string * range + | Int of int * range + | Domain of string * int * prim * prim * range + | DomainS of string * int * string * prim * prim * range (* Domain with specified DNA sequence *) + | Bool of bool * range + | Char of char * range + | Float of float * range +(* + | Entalpy of float * range + | Entropy of float * range +*) + | Variable of name * range + | Op of t * op * t * range + | Neg of t * range + | Show of t * range + | Function of fn * t * range + | Tuple of t list * range + | Ceiling of t * range + | Floor of t * range + +type t_bind = + | Val of string * t + | Sys of string * t +type t_env = t_bind list + + +(* Get the range information out of a value. *) +let rec get_range = function + String(_,rng) | Int(_,rng) | Domain(_,_,_,_,rng) | DomainS(_,_,_,_,_,rng) | Bool(_,rng) +| Char(_,rng) | Float(_,rng) | Variable(_,rng) | Op(_,_,_,rng) +| Neg(_,rng) | Show(_,rng) | Function(_,_,rng) | Tuple(_,rng) -> rng + +(* Erase the position information from a value (i.e. set them all to "empty") .*) +let rec erasePosns = function + String(s,_) -> String(s,Types.emprange) +| Int(i,_) -> Int(i,Types.emprange) +| Domain(n,c,r,v,_) -> Domain(n,c,r,v,Types.emprange) +| DomainS(n,c,s,r,v,_) -> DomainS(n,c,s,r,v,Types.emprange) +| Bool(b,_) -> Bool(b,Types.emprange) +| Char(c,_) -> Char(c,Types.emprange) +| Float(f,_) -> Float(f,Types.emprange) +| Variable(n,_) -> Variable(n,Types.emprange) +| Op(v,op,v',_) -> Op((erasePosns v),op,(erasePosns v'),Types.emprange) +| Neg(v,_) -> Neg((erasePosns v),Types.emprange) +| Show(v,_) -> Show((erasePosns v),Types.emprange) +| Function(fn,v,_) -> Function(fn,(erasePosns v),Types.emprange) +| Tuple(vs,_) -> Tuple(List.map erasePosns vs, Types.emprange) +| Ceiling (v,_) -> Ceiling((erasePosns v),Types.emprange) +| Floor (v,_) -> Floor((erasePosns v),Types.emprange) + +(* Replace the position info of certain variables with the supplied information. + * This allows us to track positions correctly across module instantiations. *) +let rec replacePosns (mrs:range Stringmap.t) = function + String _ | Int _ | Bool _ | Char _ | Float _ as v -> v + | Domain(n,c,r,v,rng) -> + begin match (Stringmap.tryFind n mrs) with + Some rng -> Domain(n,c,r,v,rng) + | None -> Domain(n,c,r,v,rng) + end + | DomainS(n,c,s,r,v,rng) -> + begin match (Stringmap.tryFind n mrs) with + Some rng -> DomainS(n,c,s,r,v,rng) + | None -> DomainS(n,c,s,r,v,rng) + end + | Variable(n,rng) -> + begin match (Stringmap.tryFind n mrs) with + Some rng -> Variable(n,rng) + | None -> Variable(n,rng) + end + | Op(v,op,v',rng) -> Op((replacePosns mrs v),op,(replacePosns mrs v'),rng) + | Neg(v,rng) -> Neg((replacePosns mrs v),rng) + | Floor(v,rng) -> Floor((replacePosns mrs v),rng) + | Ceiling(v,rng) -> Ceiling((replacePosns mrs v),rng) + | Show(v,rng) -> Show((replacePosns mrs v),rng) + | Function(fn,v,rng) -> Function(fn,(replacePosns mrs v),rng) + | Tuple(vs,rng) -> Tuple((List.map (replacePosns mrs) vs),rng) + +let rec set_range newRange (v:t) = + match v with + | String (a, _) -> String (a, newRange) + | Int (a, _) -> Int (a, newRange) + | Domain (s, i, p1, p2, _) -> Domain (s, i, p1, p2, newRange) + | DomainS (s1, i, s2, p1, p2, _) -> DomainS (s1, i, s2, p1, p2, newRange) + | Bool (a, _) -> Bool (a, newRange) + | Char (a, _) -> Char (a, newRange) + | Float (a, _) -> Float (a, newRange) + | Variable (a, _) -> Variable (a, newRange) + | Op (t1, op, t2, _) -> Op (set_range newRange t1, op, set_range newRange t2, newRange) + | Neg (a, _) -> Neg (set_range newRange a, newRange) + | Floor(a,_) -> Floor(set_range newRange a, newRange) + | Ceiling(a,_) -> Ceiling(set_range newRange a, newRange) + | Show (a, _) -> Show (set_range newRange a, newRange) + | Function (fn, t, _) -> Function (fn, set_range newRange t, newRange) + | Tuple (a, _) -> Tuple (List.map (set_range newRange) a, newRange) + +(* Compare two values. *) +let compare (v:t) (v':t) = compare v v' + +(* Display unary functions. *) +let display_function = function + | Float2Int -> "int_of_float" + | Int2Float -> "float_of_int" + | Sqrt -> "sqrt" + | Rate -> "rate" + +(* Display binary operators. *) +let display_operator = function + Plus -> "+" | Minus -> "-" | Mul -> "*" | Div -> "/ " | Power -> "**" | Max -> "max" | Modulo -> "%" +(* + | Equal -> display_symbol " = " + | Different -> display_symbol " <> " + | Lt -> display_symbol " < " + | Gt -> display_symbol " > " + | Ltequal -> display_symbol " <= " + | Gtequal -> display_symbol " >= " +*) + +(* Produce string representations of values. *) +let display (html:bool) (v:t) = + let display_symbol (s:string) = if html then "" + s + "" else s in + let display_string (s:string) = if html then "\"" + s + "\"" else "\"" + s + "\"" in + let display_char (s:string) = if html then "'" + s + "'" else s in + let operator (o:op) = display_symbol (" " + (display_operator o) + " ") in + let rec display (v:t) = + match v with + | String(s,_) -> display_string s + | Int(n,_) -> string n + | Domain(s,i,r,v,_) | DomainS(s,i,_,r,v,_) -> s + (if i <= 0 then "" else "." + string i) + (*^(if r = 1.0 && v = 1.0 then "" else symbol "@" + Lib.display_float r + "," + Lib.display_float v)*) + | Bool(b,_) -> display_symbol (string b) +(*#if JavaScript + | Char(c,_) -> display_char (c.ToString()) +#else*) +// FP: I am provisionally removing this conditional compilation statement, because I believe it to be unnecessary. I am not certain of the circumstances where this case is invoked. If you find that there is a good reason for the conditional compilation, please contact me. + | Char(c,_) -> display_char (string (int c)) +(*#endif*) + | Float(f,_) -> Lib.display_float f + | Variable(n,_) -> n + | Op(v,o,v',_) -> display_symbol "(" + display v + operator o + display v' + display_symbol ")" + | Neg(v,_) -> display_symbol "-" + display v + | Ceiling(v,_) -> "ceiling(" + display v + ")" + | Floor(v,_) -> "floor(" + display v + ")" + | Show(v,_) -> display_symbol "show " + display v + | Function(fn,v,_) -> display_symbol "(" + display_symbol(display_function fn) + " " + display v + display_symbol ")" + | Tuple(vs,_) -> displays vs + + and displays (vs:t list) = + let rec f (vs:t list) = + match vs with + | [] -> "" + | [v] -> display v + | v::vs -> display v + display_symbol "," + f vs + in display_symbol "(" + f vs + display_symbol ")" + in display v + +(* Various ways to produce a string representation. *) +let displays (html:bool) (vs:t list) = display html (Tuple (vs, emprange)) +let to_string (v:t) = display false v +let to_strings (vs:t list) = displays false vs +let to_html (v:t) = display true v + +let rec to_engineValue = function + | Int (i, _) -> Prim.Float (float i) + | Float (t, _) -> Prim.Float t + (* + | Entalpy (t, _) -> Prim.Entalpy t + | Entropy (t, _) -> Prim.Entropy t + *) + | Variable (n, _) -> Prim.Key n + | Op (v1, Plus, v2, _) -> Prim.add (to_engineValue v1) (to_engineValue v2) + | Op (v1, Minus, v2, _) -> Prim.sub (to_engineValue v1) (to_engineValue v2) + | Op (v1, Mul, v2, _) -> Prim.mul (to_engineValue v1) (to_engineValue v2) + | Op (v1, Div, v2, _) -> Prim.div (to_engineValue v1) (to_engineValue v2) + | Op (v1, Power, v2, _) -> Prim.power (to_engineValue v1) (to_engineValue v2) + | Op (v1, Modulo, v2, _) -> Prim.modulo (to_engineValue v1) (to_engineValue v2) +// | Op (v1, Max, v2, _) -> Prim.max (to_engineValue v1) (to_engineValue v2) TODO +// | Function (Float2Int, v, _) -> Prim.norm_floor (to_engineValue v) TODO + | Floor (x,_ ) -> Prim.Floor (to_engineValue x) + | Ceiling (x,_ ) -> Prim.Ceiling (to_engineValue x) + | v -> failwith ("Value cannot be mapped to Term.Prim.t: " + (to_string v)) + +(* Return bind rate (of a domain). *) +let bind_rate (v:t) (deg:t) = + let d = to_engineValue deg in + match v with + | Domain(_,_,r,_,_) -> Prim.mul r d + | DomainS(_,_,_,r,_,_) -> Prim.mul r d + | _ -> failwith "bind_rate - not a domain." + +(* Return unbind rate (of a domain). *) +let unbind_rate (v:t) = + match v with + | Domain(_,_,_,v,_) -> v + | DomainS(_,_,_,_,v,_) -> v + | _ -> failwith "unbind_rate - not a domain." + +(* ********************************************************************************************************* *) + +(*Determine if two values match, with _ matching everything *) +let rec matching = function + | (Variable("_",_),_) -> true + | (_,Variable("_",_)) -> true + | (Variable(x,_),Variable(y,_)) -> x=y + | (Domain(s,i,_,_,_),Domain(s',i',_,_,_)) -> s=s' && i=i' + | (DomainS(s,i,_,_,_,_),DomainS(s',i',_,_,_,_)) -> s=s' && i=i' + | (String(s,_),String(s',_)) -> s=s' + | (Int(i,_),Int(i',_)) -> i = i' + | (Bool(c,_),Bool(c',_)) -> c = c' + | (Char(c,_),Char(c',_)) -> c = c' + | (Float(c,_),Float(c',_)) -> c = c' + | (Op(x,op,y,_),Op(x',op',y',_)) -> (matching (x,x')) && (matching(y,y')) && op=op' + | (Neg(x,_),Neg(x',_)) -> matching (x,x') + | (Ceiling(x,_),Ceiling(x',_)) -> matching (x,x') + | (Floor(x,_),Floor(x',_)) -> matching (x,x') + | (Show(v,_),Show(v',_)) -> matching (v,v') + | (Function(f,v,_),Function(f',v',_)) -> f=f' && matching(v,v') + | (Tuple(vs,_),Tuple(vs',_)) -> List.fold (&&) true (List.map2 (fun v1 v2 -> matching (v1,v2)) vs vs') + | _ -> false + +let opError v t ts s op = type_error (get_range v) (WrongType(t,ts,(s + " argument of " + display_operator op))) + +(* Deduce a type for a Value.t, given a particular environment. Modifies ref cells in environment to update inferred type*) +let inferType (env:Types.type_env) (v:t) = + let updateType nt r cref = begin cref := Types.update_range nt r; ref nt end in + let updateTiedTypes ts currnt nt r = + begin List.iter (fun t -> t:= Types.update_range nt r) ts ; updateType nt r currnt end in + let op_accepts rng = function + | Plus -> ( (function + | IntT _ | FloatT _ | BoolT _ | StringT _ + | TiedT _ | BottomT -> true + | _ -> false) + , [IntT rng; FloatT rng; BoolT rng; StringT rng] ) + | Mul -> ( (function + | IntT _ | FloatT _ | BoolT _ + | TiedT _ | BottomT -> true + | _ -> false) + , [IntT rng; FloatT rng; BoolT rng] ) + | Minus + | Div + | Power // NB: previous implementation required exponent to be int, thisone accepts floats also + | Max -> ( (function + | IntT _ | FloatT _ + | TiedT _ | BottomT -> true + | _ -> false) + , [IntT rng; FloatT rng] ) + | Modulo -> ( (function + | IntT _ | FloatT _ | BoolT _ | StringT _ + | TiedT _ | BottomT -> true + | _ -> false) + , [IntT rng; FloatT rng; BoolT rng; StringT rng] ) + in + let rec infer = function + String(_,r) -> ref (StringT r) + | Int(_,r) -> ref (IntT r) + | Ceiling(_,r) -> ref (IntT r) + | Floor(_,r) -> ref (IntT r) + | Domain _ | DomainS _ -> failwith "domain exists at type check!" + | Bool(_,r) -> ref (BoolT r) + | Char(_,r) -> ref (CharT r) + | Float(_,r) -> ref (FloatT r) + | Tuple (vs,r) -> ref (TupT((List.map infer vs), r)) + | Variable(n,rng) -> + begin match (Lib.try_assoc n env) with + Some t -> t + | None -> type_error rng (UnboundVariable n) + end + | Op(v1,o,v2,rng) -> + let acceptable, acceptables = op_accepts rng o in + let t1 = infer v1 in + let t2 = infer v2 in + if acceptable !t1 then + if acceptable !t2 then + if unify rng t1 t2 then t1 + else opError v2 !t2 (unify_possibilities rng acceptables !t1) "second" o + else opError v2 !t2 acceptables "second" o + else opError v1 !t1 acceptables "first" o + | Neg(v,rng) -> + begin + let t = infer v in + match !t with + FloatT _ | IntT _ | BoolT _ | TiedT(_,Some(_),_) -> t + | BottomT -> begin t:= TiedT([],Some(false),[rng]); t end + | TiedT(tys,None,_) -> updateTiedTypes tys t (TiedT(tys,Some(false),[rng])) rng + | t -> let descr = "argument of negation operator" in + type_error (get_range v) (WrongType(t,[IntT rng;FloatT rng;BoolT rng],descr)) + end + | Show(v,rng) -> infer v |> ignore + ref (StringT rng) + | Function(Float2Int,v,rng) -> + begin + let t = infer v in + match !t with + FloatT _ -> ref (IntT rng) + | BottomT -> begin t:= FloatT(rng); ref (IntT rng) end + | TiedT(tys,_,_) -> begin ignore (updateTiedTypes tys t (FloatT(rng)) rng); ref (IntT rng) end + | t -> let descr = "argument of " + (display_function Float2Int) in + type_error (get_range v) (WrongType(t,[FloatT rng],descr)) + end + | Function(Int2Float,v,rng) -> + begin + let t = infer v in + match !t with + IntT _ -> ref (FloatT rng) + | BottomT -> begin t:= IntT(rng); ref (FloatT rng) end + | TiedT(tys,_,_) -> begin ignore (updateTiedTypes tys t (IntT(rng)) rng); ref (FloatT rng) end + | t -> let descr = "argument of " + (display_function Int2Float) in + type_error (get_range v) (WrongType(t,[IntT rng],descr)) + end + | Function(Sqrt,v,rng) -> + begin + let t = infer v in + match !t with + | FloatT _ -> t + | BottomT -> begin t:= FloatT(rng); t end + | TiedT(tys,_,_) -> updateTiedTypes tys t (FloatT(rng)) rng + | t -> let descr = "argument of " + (display_function Sqrt) in + type_error (get_range v) (WrongType(t,[FloatT rng],descr)) + end + | Function(Rate,_,_) -> failwith "rate function not implemented" + in + infer v + +(* ********************************************************************************************************* *) + + +(* Compute the free names in a value (i.e. all names). *) +let rec free_names (v:t) = + match v with + | Variable(n,rng) -> [(n,rng)] + | Op(v,_,v',_) -> (free_names v) @ (free_names v') + | Neg(v,_) -> free_names v + | Ceiling(v,_) -> free_names v + | Floor(v,_) -> free_names v + | Show(v,_) -> free_names v + | Function(_,v,_) -> free_names v + | Tuple(vs,_) -> List.collect free_names vs + | _ -> [] + +(* A predicate to determine if a variable is in the environment *) +let rec varInEnv (e:t_env) (n:string) = + match e with + | [] -> false + | Val(n',_)::e' -> n' = n || varInEnv e' n + | Sys(n',_)::e' -> n' = n || varInEnv e' n + +(* lookup the variable in the environment. Raises an internal error if not present *) +let rec env_lookup (n:string) (e:t_env) = + match e with +(* | [] -> failwith ("free variable "^n^" persisted past type checking")*) + | [] -> Variable (n, None) + | Val(n',v)::e' -> if (n=n') then v else env_lookup n e' + | Sys(n',v)::e' -> if (n=n') then v else env_lookup n e' + +(* Evaluate a value down to normal form. NB always terminates! *) +(* Previous failure is now termination due to variables *) +let rec eval (env:t_env) (v:t) = + match v with + | Variable(n,_) -> env_lookup n env + | Op(v,Plus,v',rng) -> + match (eval env v,eval env v') with + | Int(i,_),Int(i',_) -> Int(i + i', rng) + | Float(f,_),Float(f',_) -> Float(f + f', rng) + | Bool(b,_),Bool(b',_) -> Bool(b || b', rng) + | String(s,_),String(s',_) -> String(s + s', rng) + | v,v' -> Op(v, Plus, v', rng) + | Op(v,Minus,v',rng) -> + match (eval env v,eval env v') with + | Int(i,_),Int(i',_) -> Int(i - i', rng) + | Float(f,_),Float(f',_) -> Float(f - f', rng) + | v,v' -> Op(v, Minus, v', rng) + | Op(v,Mul,v',rng) -> + match (eval env v,eval env v') with + | Int(i,_),Int(i',_) -> Int(i * i', rng) + | Float(f,_),Float(f',_) -> Float(f * f', rng) + | Bool(b,_),Bool(b',_) -> Bool(b && b', rng) + | v,v' -> Op(v, Mul, v', rng) + | Op(v,Div,v',rng) -> + match (eval env v,eval env v') with + | Int(i,_),Int(i',_) -> Int(i / i', rng) + | Float(f,_),Float(f',_) -> Float(f / f', rng) + | v,v' -> Op(v, Div, v', rng) + | Op(v,Power,v',rng) -> + match (eval env v, eval env v') with + | Int(i,_),Int(i',_) -> Int(pown i i',rng) + | Float(f,_),Int(i,_) -> Float(pown f i, rng) + | v,v' -> Op(v, Power, v', rng) + | Op(v,Max,v',rng) -> + match (eval env v, eval env v') with + | Int(i,_),Int(i',_) -> Int(max i i',rng) + //| Float(f,_),Int(i,_) -> Float(max f ( i), rng) + | Float(f,_),Float(i,_) -> Float(max f i, rng) + | v,v' -> Op(v, Max, v', rng) + | Op(v,Modulo,v',rng) -> + match (eval env v, eval env v') with + | Int(i,_),Int(i',_) -> + let m = Expression.moduloFloat (float i) (float i') + Int(int32 m,rng) + //| Float(f,_),Int(i,_) -> Float(max f ( i), rng) + | Float(f,_),Float(i,_) -> + let m = Expression.moduloFloat f i + Float(m, rng) + | v,v' -> Op(v, Modulo, v', rng) + | Neg(v,rng) -> + match eval env v with + | Bool(b,_) -> Bool(not b, rng) + | Int(i,_) -> Int(-i, rng) + | Float(i,_) -> Float(-i ,rng) + | v -> Neg(v, rng) + | Show(v,rng) -> String(to_string (eval env v), rng) + | Function(fn,v,rng) -> + match fn, (eval env v) with + | Int2Float,Int(i,_) -> Float(float i, rng) + | Float2Int,Float(f,_) -> Int(int f, rng) + | Sqrt,Float(f,_) -> Float(sqrt f, rng) + | _,v -> Function(fn,v,rng) + (*| _,_ -> failwith ("incorrect evaluation of function " + display_function fn) *) + | Tuple(l,rng) -> Tuple((List.map (eval env) l), rng) + | Ceiling (v, rng) -> + match eval env v with + | Int(i,_) -> Int (i, rng) + | Float (i, _) -> Float (ceil i, rng) + | v -> Ceiling (v, rng) + | Floor (v, rng) -> + match eval env v with + | Int(i,_) -> Int (i, rng) + | Float (i, _) -> Float (floor i, rng) + | v -> Floor (v, rng) + | v -> v + +let universal_counters = function + | Domain(n,_,r,v,p) -> Domain(n,-1,r,v,p) + | DomainS(n,_,s,r,v,p) -> DomainS(n,-1,s,r,v,p) + | x -> x + + + (**** Value parser for Visual DSD(beta)'s old syntax, in parser.mly ****) +let parseWithPos p v flattener (initText, initPos) = + (p >>= fun x -> + (fun (finalText, finalPos) -> preturn (v (flattener (x, Types.mkRange(initPos, finalPos)))) (finalText, finalPos)) + ) (initText, initPos) + +let punder = Parser.kw "_" + +let parseString = parseWithPos Parser.name t.String id +let parseInt = parseWithPos (Parser.pint32 .>> spaces) t.Int id +let parseBool = parseWithPos (Parser.pbool .>> spaces) t.Bool id +let parseChar = parseWithPos (Parser.anyChar .>> spaces) t.Char id +let parseFloat = parseWithPos (Parser.pfloat .>> spaces) t.Float id +let parseName = parseWithPos (Parser.name .>> spaces) t.Variable id +let parseUScore = parseWithPos (punder .>> spaces) t.Variable id + +let parseFun s o pval = parseWithPos + (kw s >>. pval () >>= fun v -> preturn (o, v)) t.Function + (fun ((a,b),y) -> (a,b,y)) + +let parseIntToFloat = parseFun "float_of_int" Int2Float +let parseFloatToInt = parseFun "int_of_float" Float2Int + + +let parsePair pval = parseWithPos (Parser.paren + (pval () >>= fun v1 -> + (kw "," >>. + (pval ()>>= fun v2 -> + preturn [v1; v2])))) + t.Tuple + id + +let parseTerm pval = + fun st -> Parser.choice + [ + parseString + parseFloat + parseInt + parseBool + parseChar + parseUScore + parseName + parsePair pval + parseIntToFloat pval + parseFloatToInt pval + Parser.paren (pval ()) + ] st + +let parseOp s o pval = parseWithPos (parseTerm pval >>= fun v1 -> + kw s >>. + pval () >>= fun v2 -> preturn (v1, o, v2)) t.Op + (fun ((a,b,c),y) -> (a,b,c,y)) + +let parseAdd = parseOp "+" Plus +let parseSub = parseOp "-" Minus +let parseMul = parseOp "*" Mul +let parseDiv = parseOp "/" Div +let parsePow = parseOp "**" Power + +let parseParens pval = Parser.paren (pval ()) + +let rec do_parse _ : Parser.t = + Parser.choice + [ + parseTerm do_parse + parseAdd do_parse + parseSub do_parse + parseMul do_parse + parseDiv do_parse + parsePow do_parse + ] + +let parse : Parser.t = fun s -> do_parse () s \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/value.fsi b/ClassicDSD/ClassicDSDDotNet/value.fsi new file mode 100644 index 0000000..c3a5921 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/value.fsi @@ -0,0 +1,79 @@ +module Microsoft.Research.DNA.Value +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +type range = Types.range +type name = string + +type op = + | Plus + | Minus + | Mul + | Div + | Power + | Max + | Modulo +(* | Equal + | Different + | Lt + | Gt + | Ltequal + | Gtequal *) + +type fn = + | Float2Int + | Int2Float + | Sqrt + | Rate + +(* Primitive values are either modelling engine values *) +type prim = Expression.t + +type parser<'a> = Parser.t<'a> + +(* The type of DSD values/expressions. *) +type t = + | String of string * range + | Int of int * range + | Domain of string * int * prim * prim * range + | DomainS of string * int * string * prim * prim * range (* Domain with specified DNA sequence *) + | Bool of bool * range + | Char of char * range + | Float of float * range + (* + | Entalpy of float * range + | Entropy of float * range + *) + | Variable of name * range + | Op of t * op * t * range + | Neg of t * range + | Show of t * range + | Function of fn * t * range + | Tuple of t list * range + | Ceiling of t * range + | Floor of t * range + +type t_bind = + | Val of string * t + | Sys of string * t +type t_env = t_bind list + +val get_range : t -> range +val set_range : range -> t -> t +val erasePosns : t -> t +val replacePosns : range Stringmap.t -> t -> t +val to_string : t -> string +val to_strings : t list -> string + +val bind_rate : t -> t -> prim +val unbind_rate : t -> prim +val matching : t * t -> bool +val varInEnv : t_env -> string -> bool +val inferType : Types.type_env -> t -> Types.t ref +val free_names : t -> (name * range) list +val eval : t_env -> t -> t + +val universal_counters : t -> t +val to_engineValue : t -> prim + +val parse : parser \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/visualisation.fs b/ClassicDSD/ClassicDSDDotNet/visualisation.fs new file mode 100644 index 0000000..4e77a94 --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/visualisation.fs @@ -0,0 +1,253 @@ +[] +module Microsoft.Research.DNA.Visualisation +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +module Species = Microsoft.Research.DNA.Species +module Svg = Microsoft.Research.CRNEngine.Svg + +type domain = Domain.t +type strand = Strand.t +type segment = Segment.t +type gate = Gate.t +type origami = Origami.t + +(* This module contains functions that convert DSD species into data structures that better express how they should be drawn. Note that it is entirely separate from SVG rendering. *) + +(* This type gives more detailed information on how to draw the segments of a molecule. *) +type strandinfo = { arrow:bool; gapleft:bool; gapright:bool; lefthang:domain list; righthang:domain list } +type hairpininfo = { onRight:bool; pins:domain list} +type t = { domains : domain list; + upper : strandinfo option; + lower : strandinfo option; + hairpin : hairpininfo option; + tethereds : (t list list) option } + +(* Produce string representations for debugging. *) +let display_strandinfo (si:strandinfo) = + "{ arrow=" + (string si.arrow) + + ", gapLeft=" + (string si.gapleft) + + ", gapRight=" + (string si.gapright) + + ", lefthang=[" + (Domain.display_sequence si.lefthang) + "]" + + ", righthang=[" + (Domain.display_sequence si.righthang) + "] }" +let display_hairpininfo (hi:hairpininfo) = + "{ onRight=" + (string hi.onRight) + ", pins=[" + (Domain.display_sequence hi.pins) + "] }" +let rec display (v:t) = + "{ domains=[" + (Domain.display_sequence v.domains) + "]" + + ", upper=" + (Lib.option_map display_strandinfo "{}" v.upper) + + ", lower=" + (Lib.option_map display_strandinfo "{}" v.lower) + + ", hairpin=" + (Lib.option_map display_hairpininfo "{}" v.hairpin) + + ", tethered=" + (Lib.option_map (Lib.string_of_list (Lib.string_of_list display " ") "; ") "{}" v.tethereds) + + " }" + +(**************************************************************************************) + +(* Draw the bottom left strand start arrow? *) +let drawBottomLeftArrow (v:t) = Lib.option_map (fun si -> si.arrow) false v.lower + +(* Draw the top right strand start arrow? *) +let drawTopRightArrow (v:t) = Lib.option_map (fun si -> si.arrow) false v.upper + +(* Leave a gap at the top left? *) +let gapTopLeft (v:t) = Lib.option_map (fun si -> si.gapleft) false v.upper + +(* Leave a gap at the top right? *) +let gapTopRight (v:t) = Lib.option_map (fun si -> si.gapright) false v.upper + +(* Leave a gap at the bottom left? *) +let gapBottomLeft (v:t) = Lib.option_map (fun si -> si.gapleft) false v.lower + +(* Leave a gap at the bottom right? *) +let gapBottomRight (v:t) = Lib.option_map (fun si -> si.gapright) false v.lower + +(* Draw the top strand line? *) +let drawTopStrand (v:t) = Option.isSome v.upper + +(* Draw the bottom strand line? *) +let drawBottomStrand (v:t) = Option.isSome v.lower + +(* Draw a hairpin? *) +let drawHairpin (v:t) = Option.isSome v.hairpin + +(* Draw a hairpin on the left? *) +let drawHairpinLeft (v:t) = Lib.option_map (fun hi -> not hi.onRight) false v.hairpin + +(* Draw a hairpin on the right? *) +let drawHairpinRight (v:t) = Lib.option_map (fun hi -> hi.onRight) false v.hairpin + +(* Is this an origami? *) +let drawInOrigami (v:t) = Option.isSome v.tethereds + +(* Get the main domains in a section. *) +let mainDomains (v:t) = v.domains + +(* Get the bottom left overhang domains, if any. *) +let overhangBottomLeft (v:t) = Lib.option_map (fun si -> si.lefthang) [] v.lower + +(* Get the top left overhang domains, if any. *) +let overhangTopLeft (v:t) = Lib.option_map (fun si -> si.lefthang) [] v.upper + +(* Get the top right overhang domains, if any. *) +let overhangTopRight (v:t) = Lib.option_map (fun si -> si.righthang) [] v.upper + +(* Get the bottom right overhang domains, if any. *) +let overhangBottomRight (v:t) = Lib.option_map (fun si -> si.righthang) [] v.lower + +(* Get the hairpinned domains, if any. *) +let hairpinDomains (v:t) = Lib.option_map (fun hi -> hi.pins) [] v.hairpin + +(* Get the leftmost domain. *) +let leftDomain (v:t) = List.head (mainDomains v) + +(* Get the rightmost domain. *) +let rightDomain (v:t) = List.head (List.rev (mainDomains v)) + +(* Get the anchored species. *) +let anchoredSpecies (v:t) = Lib.option_map id [] v.tethereds + +(**************************************************************************************) + +(* Make the "strandinfo" for a trivial single stranded portion. Can specify whether to draw an arrow or not. *) +let make_strandinfo (arrow:bool) = Some { arrow=arrow; gapleft=false; gapright=false; lefthang=[]; righthang=[] } + +(* Convert a strand into a visualisation data structure. *) +let from_strand (s:strand) : t list = + match s with + | Strand.Lower ns -> [{ domains = ns; upper = None; lower = make_strandinfo true ; hairpin = None ; tethereds = None}] + | Strand.Upper ns -> [{ domains = ns; upper = make_strandinfo true; lower = None ; hairpin = None ; tethereds = None}] + +(* Convert a gate into a visualisation data structure. *) +let from_gate (g:gate) : t list = + (* Get at the rightmost corners of segment lists. *) + let getRightHang (upper:bool) (cs:segment list) : domain list = + match(Lib.get_last_element cs) with + | None -> failwith "Visualisation.getRightHang: empty segment list" + | Some(_,Segment.Double(_,_,_,rt,rb)) -> if upper then rt else rb + | Some(_,Segment.Hairpin(ob,ot,_,_,Segment.Left)) -> if upper then ot else ob + | Some(_,Segment.Hairpin(_,_,_,_,Segment.Right)) -> [] + in + (* Get at the leftmost corners of segment lists. *) + let getLeftHang (upper:bool) (cs:segment list) : domain list = + match cs with + | [] -> failwith "Visualisation.getLeftHang: empty segment list" + | (Segment.Double(lb,lt,_,_,_))::_ -> if upper then lt else lb + | (Segment.Hairpin(ob,ot,_,_,Segment.Right))::_ -> if upper then ot else ob + | (Segment.Hairpin(_,_,_,_,Segment.Left))::_ -> [] + in + (* Gather the results of converting segments into visualisation data structures. *) + let rec gather (rs:t list) (acc:segment list) (lhs:segment list list) (gs:segment list) (rhs:segment list list) = + match gs with + | [] -> rs + | ((Segment.Double(lb,lt,s,rt,rb)) as c)::gs' -> + (* These are determined by the leftward context. *) + let lowerArrow = (List.isEmpty lb && List.isEmpty acc) in + let lowerGapLeft = (List.isEmpty acc && lhs<>[] && List.isEmpty lt && (getRightHang true (List.head lhs) |> List.isEmpty)) in + let lowerLeftHang = lb in + let upperGapLeft = (acc<>[] && List.isEmpty lb && (getRightHang false acc |> List.isEmpty)) in + let upperLeftHang = lt in + (* These are determined by the rightward context. *) + let upperArrow = (List.isEmpty rt && not(List.isEmpty gs' && rhs<>[])) in + let upperGapRight = (gs'<>[] && List.isEmpty rb && (getLeftHang false gs' |> List.isEmpty)) in + let lowerGapRight = (List.isEmpty gs' && rhs<>[] && List.isEmpty rt && (getLeftHang true (List.head rhs) |> List.isEmpty)) in + let (upperRightHang,lowerRightHang,vs') = + match gs',rhs with + | [],[] -> (rt,rb,[]) + | [],(_::_) -> let vs' = (if List.isEmpty rt then [] else [{domains=rt; lower=None; upper=make_strandinfo false (*upperArrow*); hairpin=None ; tethereds=None}]) in ([],rb,vs') + | (_::_),_ -> let vs' = (if List.isEmpty rb then [] else [{domains=rb; lower=make_strandinfo false (*lowerArrow*); upper=None; hairpin=None; tethereds=None}]) in (rt,[],vs') + in + (* Create the new visualisation data structures and recurse. *) + let upperStrand = Some { arrow=upperArrow; gapleft=upperGapLeft; gapright=upperGapRight; lefthang=upperLeftHang; righthang=upperRightHang } in + let lowerStrand = Some { arrow=lowerArrow; gapleft=lowerGapLeft; gapright=lowerGapRight; lefthang=lowerLeftHang; righthang=lowerRightHang } in + let vs = [{ domains=s; upper=upperStrand; lower=lowerStrand; hairpin=None; tethereds=None}] in + gather (rs@vs@vs') (acc@[c]) lhs gs' rhs + | ((Segment.Hairpin(ob,ot,s,hp,Segment.Left)) as c)::gs' -> + (* There should be no leftward context *) + if not (List.isEmpty acc) then failwith "Left hairpin not the left-most segment" + else + (* Determined by the rightward context. *) + let upperArrow = (List.isEmpty ot && not(List.isEmpty gs' && rhs<>[])) in + let upperGapRight = (gs'<>[] && List.isEmpty ob && (getLeftHang false gs' |> List.isEmpty)) in + let lowerGapRight = (List.isEmpty gs' && rhs<>[] && List.isEmpty ot && (getLeftHang true (List.head rhs) |> List.isEmpty)) in + let (upperRightHang,LowerRightHang,vs') = + match gs',rhs with + | [],[] -> (ot,ob,[]) + | [],(_::_) -> let vs' = (if List.isEmpty ot then [] else [{domains=ot; lower=None; upper=make_strandinfo false (*upperArrow*); hairpin=None;tethereds=None}]) in ([],ob,vs') + | (_::_),_ -> let vs' = (if List.isEmpty ob then [] else [{domains=ob; lower=make_strandinfo false (*lowerArrow*);upper=None; hairpin=None; tethereds=None}]) in (ot,[],vs') + in + let upperStrand = Some {arrow=upperArrow; gapleft=false; gapright=upperGapRight; lefthang=[]; righthang=upperRightHang} in + let lowerStrand = Some {arrow=false; gapleft=false; gapright=lowerGapRight; lefthang=[]; righthang=LowerRightHang}in + let hairPin = Some {onRight = false; pins = hp} in + let vs = [{ domains=s; upper=upperStrand; lower=lowerStrand; hairpin=hairPin; tethereds=None}] in + gather (rs@vs@vs') (acc@[c]) lhs gs' rhs + | ((Segment.Hairpin(ob,ot,s,hp,Segment.Right)) as c)::gs' -> + if (not (List.isEmpty gs')) then failwith "Right hairpin not the right-most segment" + else + (* These are determined by the leftward context. *) + let lowerArrow = (List.isEmpty ob && List.isEmpty acc) in + let lowerGapLeft = (List.isEmpty acc && lhs<>[] && List.isEmpty ot && (getRightHang true (List.head lhs) |> List.isEmpty)) in + let lowerLeftHang = ob in + let upperGapLeft = (acc<>[] && List.isEmpty ob && (getRightHang false acc |> List.isEmpty)) in + let upperLeftHang = ot in + (* Create the new visualisation data structures and recurse. *) + let upperStrand = Some { arrow=false; gapleft=upperGapLeft; gapright=false; lefthang=upperLeftHang; righthang=[] } in + let lowerStrand = Some { arrow=lowerArrow; gapleft=lowerGapLeft; gapright=false; lefthang=lowerLeftHang; righthang=[] } in + let hairPinStrand = Some { onRight = true; pins = List.rev hp } in + let vs = [{ domains=s; upper=upperStrand; lower=lowerStrand; hairpin=hairPinStrand; tethereds=None}] in + gather (rs@vs) (acc@[c]) lhs gs' rhs + in + (* Normalise the gate first, just to be sure... *) + let vs = Lib.collect_contextual (gather [] []) (Gate.normalise g) in + (* Tweak any extreme overhanging single toehold domains to be horizontal... *) + let isSingleToehold (ds:domain list) = match ds with [Domain.Toe _] -> true | _ -> false in + let convertLeft (vs:t list) = + match vs with + | (v::vs') -> + (match v.upper, v.lower with + | Some ui, Some li -> + (match ui.lefthang, li.lefthang with + (* Upper overhang made horizontal *) + | ([Domain.Toe _ as toe],ds) when not(isSingleToehold ds) -> + let v1 = {domains=[toe]; upper=(make_strandinfo false); lower=None; hairpin=None; tethereds=None} in + let v2 = {v with upper=Some{ui with lefthang=[]}} in + [v1;v2]@vs' + (* Lower overhang made horizontal *) + | (ds,[Domain.Toe _ as toe]) when not(isSingleToehold ds) -> + let v1 = {domains=[toe]; upper=None; lower=(make_strandinfo true); hairpin=None; tethereds=None} in + let v2 = {v with lower=Some{li with lefthang=[]}} in + [v1;v2]@vs' + | _,_ -> vs) + | _,_ -> vs) + | [] -> vs + in + let convertRight (vs:t list) = + match Lib.get_last_element vs with + | Some(vs',v) -> + (match v.upper, v.lower with + | Some ui, Some li -> + (match ui.righthang, li.righthang with + (* Upper overhang made horizontal *) + | ([Domain.Toe _ as toe],ds) when not(isSingleToehold ds) -> + let v1 = {v with upper=Some{ui with righthang=[]}} in + let v2 = {domains=[toe]; upper=(make_strandinfo true); lower=None; hairpin=None; tethereds=None} in + vs'@[v1;v2] + (* Lower overhang made horizontal *) + | (ds,[Domain.Toe _ as toe]) when not(isSingleToehold ds) -> + let v1 = {v with lower=Some{li with righthang=[]}} in + let v2 = {domains=[toe]; upper=None; lower=(make_strandinfo false); hairpin=None; tethereds=None} in + vs'@[v1;v2] + | _,_ -> vs) + | _,_ -> vs) + | None -> vs + in + convertLeft (convertRight vs) + +let from_origami (o:origami) = + [{domains=[]; + upper=None; + lower=None; + hairpin=None; + tethereds = Some (Lib.collect (fun t -> + match t with + | Origami.C_strand s -> [from_strand(s)] + | Origami.C_gate g -> [from_gate(g)] + ) o)}] \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDDotNet/visualisation.fsi b/ClassicDSD/ClassicDSDDotNet/visualisation.fsi new file mode 100644 index 0000000..9b40afb --- /dev/null +++ b/ClassicDSD/ClassicDSDDotNet/visualisation.fsi @@ -0,0 +1,40 @@ +module Microsoft.Research.DNA.Visualisation +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +module Species = Microsoft.Research.DNA.Species + +type domain = Domain.t +type strand = Strand.t +type gate = Gate.t +type origami = Origami.t + +type t +val display : t -> string + +val drawInOrigami : t -> bool +val drawBottomLeftArrow : t -> bool +val drawTopRightArrow : t -> bool +val gapTopLeft : t -> bool +val gapTopRight : t -> bool +val gapBottomLeft : t -> bool +val gapBottomRight : t -> bool +val drawTopStrand : t -> bool +val drawBottomStrand : t -> bool +val drawHairpin : t -> bool +val drawHairpinLeft : t -> bool +val drawHairpinRight : t -> bool + +val anchoredSpecies : t -> t list list +val mainDomains : t -> domain list +val overhangBottomLeft : t -> domain list +val overhangTopLeft : t -> domain list +val overhangTopRight : t -> domain list +val overhangBottomRight : t -> domain list +val leftDomain : t -> domain +val rightDomain : t -> domain +val hairpinDomains : t -> domain list + +val from_strand : strand -> t list +val from_gate : gate -> t list +val from_origami : origami -> t list \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5.sln b/ClassicDSD/ClassicDSDHTML5.sln new file mode 100644 index 0000000..e14aaf8 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5.sln @@ -0,0 +1,228 @@ + +Microsoft Visual Studio Solution File, Format Version 12.00 +# Visual Studio Version 16 +VisualStudioVersion = 16.0.29709.97 +MinimumVisualStudioVersion = 10.0.40219.1 +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "MSAGL_JS", "..\HTML5SharedGUI\MSAGL_JS\MSAGL_JS.csproj", "{2F3B8603-CFF1-4946-B242-6F848801B49A}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "CodeEditor", "..\HTML5SharedGUI\CodeEditor\CodeEditor.csproj", "{B234C1D7-96F4-40A2-A323-3B18646BF95C}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "CRNComponent", "..\HTML5SharedGUI\CRNComponent\CRNComponent.csproj", "{6DF7A0C1-2048-4A51-8599-E1C0B958A5E2}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "InferenceViewer", "..\HTML5SharedGUI\InferenceViewer\InferenceViewer.csproj", "{179FDF3E-67B8-4E2F-9089-650BB1319AF2}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "SimulationViewer", "..\HTML5SharedGUI\SimulationViewer\SimulationViewer.csproj", "{0ECCE305-85C0-403F-A980-EEB9379BD5A4}" +EndProject +Project("{6EC3EE1D-3C4E-46DD-8F32-0CC8E7565705}") = "CRNEngineJS", "..\CRNEngine\CRNEngineJS\CRNEngineJS.fsproj", "{836AF075-6448-4CD9-8020-434B963FF5E2}" +EndProject +Project("{6EC3EE1D-3C4E-46DD-8F32-0CC8E7565705}") = 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Release|x64 + {F1BDB4A8-A5F5-444C-AA15-19D944FE1BC0}.Release|x64.Build.0 = Release|x64 + {339468FF-B5C6-4870-BDE3-4861BA69F517}.Debug|Any CPU.ActiveCfg = Debug|Any CPU + {339468FF-B5C6-4870-BDE3-4861BA69F517}.Debug|Any CPU.Build.0 = Debug|Any CPU + {339468FF-B5C6-4870-BDE3-4861BA69F517}.Debug|x64.ActiveCfg = Debug|Any CPU + {339468FF-B5C6-4870-BDE3-4861BA69F517}.Debug|x64.Build.0 = Debug|Any CPU + {339468FF-B5C6-4870-BDE3-4861BA69F517}.Release|Any CPU.ActiveCfg = Release|Any CPU + {339468FF-B5C6-4870-BDE3-4861BA69F517}.Release|Any CPU.Build.0 = Release|Any CPU + {339468FF-B5C6-4870-BDE3-4861BA69F517}.Release|x64.ActiveCfg = Release|Any CPU + {339468FF-B5C6-4870-BDE3-4861BA69F517}.Release|x64.Build.0 = Release|Any CPU + {63622E87-2572-4C3B-A6F1-1C5142C301AF}.Debug|Any CPU.ActiveCfg = Debug|Any CPU + {63622E87-2572-4C3B-A6F1-1C5142C301AF}.Debug|Any CPU.Build.0 = Debug|Any CPU + {63622E87-2572-4C3B-A6F1-1C5142C301AF}.Debug|x64.ActiveCfg = Debug|Any CPU + {63622E87-2572-4C3B-A6F1-1C5142C301AF}.Debug|x64.Build.0 = Debug|Any CPU + {63622E87-2572-4C3B-A6F1-1C5142C301AF}.Release|Any CPU.ActiveCfg = Release|Any CPU + {63622E87-2572-4C3B-A6F1-1C5142C301AF}.Release|Any CPU.Build.0 = Release|Any CPU + {63622E87-2572-4C3B-A6F1-1C5142C301AF}.Release|x64.ActiveCfg = Release|Any CPU + {63622E87-2572-4C3B-A6F1-1C5142C301AF}.Release|x64.Build.0 = Release|Any CPU + EndGlobalSection + GlobalSection(SolutionProperties) = preSolution + HideSolutionNode = FALSE + EndGlobalSection + GlobalSection(ExtensibilityGlobals) = postSolution + SolutionGuid = {7FCEE470-704A-46CC-B953-4570381BF659} + EndGlobalSection +EndGlobal diff --git a/ClassicDSD/ClassicDSDHTML5/.gitignore b/ClassicDSD/ClassicDSDHTML5/.gitignore new file mode 100644 index 0000000..c49aa38 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/.gitignore @@ -0,0 +1,21 @@ +*.js +!webpack.config.js +*.d.ts +!declarations.d.ts +Scripts/**/*.js +Scripts/**/*.js.map +Scripts/**/*.d.ts + +#residual files from before webpack +Scripts/ClassicDSD +Scripts/CodeEditor +Scripts/CRN +Scripts/CrnApp +Scripts/CRNEngine +Scripts/DsdGeneric +Scripts/IDD +Scripts/InferenceViewer +Scripts/SimulationViewer +Scripts/KnockoutGrid +Scripts/MSAGL +vs \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/AppBootstrap.js.map b/ClassicDSD/ClassicDSDHTML5/AppBootstrap.js.map new file mode 100644 index 0000000..af65d14 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/AppBootstrap.js.map @@ -0,0 +1 @@ +{"version":3,"file":"AppBootstrap.js","sourceRoot":"","sources":["AppBootstrap.ts"],"names":[],"mappings":";AAAA,OAAO,CAAC,CAAC,UAAU,CAAC,EAAE;IAClB,OAAO,CAAC,CAAC,eAAe,CAAC,CAAC,EAAE;IAC5B,CAAC,CAAA;AACL,CAAC,CAAC,CAAC"} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/ClassicDSDHTML5.csproj b/ClassicDSD/ClassicDSDHTML5/ClassicDSDHTML5.csproj new file mode 100644 index 0000000..ee2f497 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/ClassicDSDHTML5.csproj @@ -0,0 +1,48 @@ + + + + netcoreapp3.1 + true + + Library + --mutex file install + $([System.IO.Path]::GetFullPath('$(MSBuildThisFileDirectory)..\..\packages\javascriptbuild\Node.js.redist\tools\win-x64\node.exe')) + + + + + + + + + + + + + + + + + + + + $(CopyAllFilesToSingleFolderForPackageDependsOn); + CollectWebpackOutput; + + + $(CopyAllFilesToSingleFolderForMsdeployDependsOn); + CollectWebpackOutput; + + + + + + <_CustomFiles Include="dist\**\*" /> + + %(RecursiveDir)%(Filename)%(Extension) + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Config.js.map b/ClassicDSD/ClassicDSDHTML5/Config.js.map new file mode 100644 index 0000000..576cb28 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Config.js.map @@ -0,0 +1 @@ +{"version":3,"file":"Config.js","sourceRoot":"","sources":["Config.ts"],"names":[],"mappings":";AAAA,OAAO,CAAC,MAAM,CAAC;IACX,KAAK,EAAE;QACH,QAAQ,EAAE,kBAAkB;QAC5B,kBAAkB,EAAE,0BAA0B;QAC9C,GAAG,EAAE,8BAA8B;QACnC,QAAQ,EAAE,gBAAgB;QAC1B,IAAI,EAAE,gBAAgB;QACtB,SAAS,EAAE,aAAa;QACxB,UAAU,EAAE,mBAAmB;QAC/B,WAAW,EAAE,mBAAmB;QAChC,KAAK,EAAE,aAAa;QACpB,mBAAmB,EAAE,2BAA2B;QAChD,UAAU,EAAE,mBAAmB;QAC/B,YAAY,EAAE,iCAAiC;QAC/C,iBAAiB;QACjB,IAAI,EAAE,cAAc;QACpB,0BAA0B;QAC1B,WAAW,EAAE,mBAAmB;QAChC,WAAW,EAAE,mBAAmB;QAChC,UAAU,EAAE,6BAA6B;QACzC,KAAK,EAAE,eAAe;KACzB;IACD,IAAI,EAAE;QACF,QAAQ,EAAE;YACN,OAAO,EAAE,GAAG;SACf;QACD,UAAU,EAAE,EAAE,IAAI,EAAE,CAAC,QAAQ,CAAC,EAAE;QAChC,kBAAkB,EAAE,EAAE,IAAI,EAAE,CAAC,UAAU,CAAC,EAAE;KAC7C;IACD,WAAW,EAAE,EAAE;CAClB,CAAC,CAAC"} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Docs/license.html b/ClassicDSD/ClassicDSDHTML5/Docs/license.html new file mode 100644 index 0000000..4b0f747 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Docs/license.html @@ -0,0 +1,5917 @@ + + + + + + + + + + +Microsoft Visual DSD - Standalone (free) Use Terms + + + + + + + + + + + + + + + +
+ +

MICROSOFT +SOFTWARE LICENSE TERMS

+ +
+ +

MICROSOFT +VISUAL DSD

+ +
+ +
+ +
+ +
+ +

IF +YOU LIVE IN (OR ARE A BUSINESS WITH A PRINCIPAL PLACE OF BUSINESS IN) THE +UNITED STATES, PLEASE READ THE “BINDING ARBITRATION AND CLASS ACTION WAIVER” SECTION +BELOW. IT AFFECTS HOW DISPUTES ARE RESOLVED.

+ +
+ +
+ +
+ +

These license terms are an agreement between you +and Microsoft Corporation (or one of its affiliates). They apply to the +software named above and any Microsoft services or software updates (except to +the extent such services or updates are accompanied by new or additional terms, in which case those different terms apply +prospectively and do not alter your or Microsoft’s rights relating to +pre-updated software or services). IF YOU COMPLY WITH THESE LICENSE TERMS, YOU HAVE THE RIGHTS BELOW. BY USING THE SOFTWARE, YOU ACCEPT THESE TERMS.

+ +

1.    INSTALLATION AND USE RIGHTS.

+ +

a)    General. You may install and use any +number of copies of the software.

+ + + +

b)    Third Party Software. The software may +include third party applications that Microsoft, not the third party, licenses +to you under this agreement. Any included notices for third party applications +are for your information only.

+ +

2.    DATA COLLECTION. The software may +collect information about you and your use of the software and send that to +Microsoft. Microsoft may use this information to provide services and improve +Microsoft’s products and services. Your opt-out rights, if any, are described +in the product documentation. Some features in the software may enable +collection of data from users of your applications that access or use the +software. If you use these features to enable data collection in your +applications, you must comply with applicable law, including getting any required +user consent, and maintain a prominent privacy policy that accurately informs +users about how you use, collect, and share their data. You can learn more +about Microsoft’s data collection and use in the product documentation and the +Microsoft Privacy Statement at https://go.microsoft.com/fwlink/?LinkId=521839. You agree to +comply with all applicable provisions of the Microsoft Privacy Statement.

+ +

3.    SCOPE OF LICENSE. The software is +licensed, not sold. Microsoft reserves all other rights. Unless applicable law +gives you more rights despite this limitation, you will not (and have no right +to):

+ +

a)    +work +around any technical limitations in the software that only allow you to use it +in certain ways;

+ +

b)    +reverse +engineer, decompile or disassemble the software;

+ +

c)    +remove, +minimize, block, or modify any notices of Microsoft or its suppliers in the +software;

+ +

d)    +use +the software for commercial, non-profit, or revenue-generating activities;

+ +

e)    +use +the software in any way that is against the law or to create or propagate +malware; or

+ +

f)     +share, +publish, distribute, or lend the software, provide the software as a +stand-alone hosted solution for others to use, or transfer the software or this +agreement to any third party.

+ +

4.    EXPORT RESTRICTIONS. You must comply +with all domestic and international export laws and regulations that apply to +the software, which include restrictions on destinations, end users, and end +use. For further information on export restrictions, visit http://aka.ms/exporting.

+ +

5.    SUPPORT SERVICES. Microsoft is not +obligated under this agreement to provide any support services for the +software. Any support provided is “as is”, “with all faults”, and without +warranty of any kind.

+ +

6.    UPDATES. The software may periodically +check for updates, and download and install them for you. You may obtain +updates only from Microsoft or authorized sources. Microsoft may need to update +your system to provide you with updates. You agree to receive these automatic +updates without any additional notice. Updates may not include or support all +existing software features, services, or peripheral devices.

+ +

7.    BINDING +ARBITRATION AND CLASS ACTION WAIVER. This Section applies if you live in (or, +if a business, your principal place of business is in) the United States.  If you and +Microsoft have a dispute, you and Microsoft agree to try for 60 days to resolve +it informally. If you and Microsoft can’t, you and Microsoft agree to binding +individual arbitration before the American Arbitration Association under +the Federal Arbitration Act (“FAA”), and not to sue in court in front of a +judge or jury. Instead, a neutral arbitrator will decide. Class action +lawsuits, class-wide arbitrations, private attorney-general actions, and +any other proceeding where someone acts in a representative capacity are not +allowed; nor is combining individual proceedings without the consent of all +parties. The complete Arbitration Agreement contains more terms and is at http://aka.ms/arb-agreement-1. You and Microsoft agree to these terms.

+ +

8.    TERMINATION. Without prejudice to any +other rights, Microsoft may terminate this agreement if you fail to comply with +any of its terms or conditions. In such event, you must destroy all copies of +the software and all of its component parts.

+ +

9.    ENTIRE AGREEMENT. This agreement, and +any other terms Microsoft may provide for supplements, updates, or third-party +applications, is the entire agreement for the software.

+ +

10. APPLICABLE LAW AND PLACE TO RESOLVE DISPUTES. If you acquired the software in the United States or Canada, the +laws of the state or province where you live (or, if a business, where your +principal place of business is located) govern the interpretation of this +agreement, claims for its breach, and all other claims (including consumer +protection, unfair competition, and tort claims), regardless of conflict of +laws principles, except that the FAA governs everything related to arbitration. +If you acquired the software in any other country, its laws apply, except that +the FAA governs everything related to arbitration. If U.S. federal jurisdiction +exists, you and Microsoft consent to exclusive jurisdiction and venue in the +federal court in King County, Washington for all disputes heard in court +(excluding arbitration). If not, you and Microsoft consent to exclusive +jurisdiction and venue in the Superior Court of King County, Washington for all +disputes heard in court (excluding arbitration).

+ +

11. CONSUMER RIGHTS; REGIONAL VARIATIONS. +This agreement describes certain legal rights. You may have other rights, +including consumer rights, under the laws of your state, province, or country. +Separate and apart from your relationship with Microsoft, you may also have +rights with respect to the party from which you acquired the software. This +agreement does not change those other rights if the laws of your state, +province, or country do not permit it to do so. For example, if you acquired +the software in one of the below regions, or mandatory country law applies, +then the following provisions apply to you:

+ +

a)    Australia. You have statutory guarantees +under the Australian Consumer Law and nothing in this agreement is intended to +affect those rights.

+ +

b)    Canada. If you acquired this software in +Canada, you may stop receiving updates by turning off the automatic update +feature, disconnecting your device from the Internet (if and when you +re-connect to the Internet, however, the software will resume checking for and +installing updates), or uninstalling the software. The product documentation, +if any, may also specify how to turn off updates for your specific device or +software.

+ +

c)    Germany and Austria.

+ +

i.    Warranty. The properly licensed software will perform +substantially as described in any Microsoft materials that accompany the +software. However, Microsoft gives no contractual guarantee in relation to the +licensed software.

+ +

ii.   Limitation of Liability. In case of intentional conduct, gross +negligence, claims based on the Product Liability Act, as well as, in case of +death or personal or physical injury, Microsoft is liable according to the +statutory law.

+ +

Subject to the +foregoing clause ii., Microsoft will only be liable for slight negligence if +Microsoft is in breach of such material contractual obligations, the +fulfillment of which facilitate the due performance of this agreement, the +breach of which would endanger the purpose of this agreement and the compliance +with which a party may constantly trust in (so-called "cardinal +obligations"). In other cases of slight negligence, Microsoft will not be +liable for slight negligence.

+ +

12. DISCLAIMER OF WARRANTY. THE SOFTWARE IS LICENSED “AS IS.” YOU BEAR +THE RISK OF USING IT. MICROSOFT GIVES NO EXPRESS WARRANTIES, GUARANTEES, OR CONDITIONS. +TO THE EXTENT PERMITTED UNDER APPLICABLE LAWS, MICROSOFT EXCLUDES ALL IMPLIED +WARRANTIES, INCLUDING MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND +NON-INFRINGEMENT.

+ +

13. LIMITATION ON AND EXCLUSION OF DAMAGES. IF YOU HAVE ANY BASIS FOR +RECOVERING DAMAGES DESPITE THE PRECEDING DISCLAIMER OF WARRANTY, YOU CAN +RECOVER FROM MICROSOFT AND ITS SUPPLIERS ONLY DIRECT DAMAGES UP TO U.S. $5.00. +YOU CANNOT RECOVER ANY OTHER DAMAGES, INCLUDING CONSEQUENTIAL, LOST PROFITS, +SPECIAL, INDIRECT OR INCIDENTAL DAMAGES.

+ +

This +limitation applies to (a) anything related to the software, services, content +(including code) on third party Internet sites, or third party applications; +and (b) claims for breach of contract, warranty, guarantee, or condition; +strict liability, negligence, or other tort; or any other claim; in each case +to the extent permitted by applicable law.

+ +

It also applies even +if Microsoft knew or should have known about the possibility of the damages. +The above limitation or exclusion may not apply to you because your state, +province, or country may not allow the exclusion or limitation of incidental, +consequential, or other damages.

+ +

 

+ +

Please +note: As this software is distributed in Canada, some of the clauses in this +agreement are provided below in French.

+ +

Remarque: +Ce logiciel étant distribué au Canada, certaines des clauses dans ce contrat +sont fournies ci-dessous en français.

+ +

EXONÉRATION +DE GARANTIE. Le logiciel visé par une licence est offert « tel quel ». Toute +utilisation de ce logiciel est à votre seule risque et péril. Microsoft +n’accorde aucune autre garantie expresse. Vous pouvez bénéficier de droits +additionnels en vertu du droit local sur la protection des consommateurs, que +ce contrat ne peut modifier. La ou elles sont permises par le droit locale, les +garanties implicites de qualité marchande, d’adéquation à un usage particulier +et d’absence de contrefaçon sont exclues.

+ +

LIMITATION +DES DOMMAGES-INTÉRÊTS ET EXCLUSION DE RESPONSABILITÉ POUR LES DOMMAGES. Vous +pouvez obtenir de Microsoft et de ses fournisseurs une indemnisation en cas de +dommages directs uniquement à hauteur de 5,00 $ US. Vous ne pouvez prétendre à +aucune indemnisation pour les autres dommages, y compris les dommages spéciaux, +indirects ou accessoires et pertes de bénéfices.

+ +

Cette +limitation concerne:

+ +

    tout ce qui est relié au logiciel, aux +services ou au contenu (y compris le code) figurant sur des sites Internet +tiers ou dans des programmes tiers; et

+ +

    les réclamations au titre de violation de +contrat ou de garantie, ou au titre de responsabilité stricte, de négligence ou +d’une autre faute dans la limite autorisée par la loi en vigueur.

+ +

Elle +s’applique également, même si Microsoft connaissait ou devrait connaître +l’éventualité d’un tel dommage. Si votre pays n’autorise pas l’exclusion ou la +limitation de responsabilité pour les dommages indirects, accessoires ou de +quelque nature que ce soit, il se peut que la limitation ou l’exclusion +ci-dessus ne s’appliquera pas à votre égard.

+ +

EFFET +JURIDIQUE. Le présent contrat décrit certains droits juridiques. Vous pourriez +avoir d’autres droits prévus par les lois de votre pays. Le présent contrat ne +modifie pas les droits que vous confèrent les lois de votre pays si celles-ci +ne le permettent pas.

+ +

 

+ +
+ + + + diff --git a/ClassicDSD/ClassicDSDHTML5/MSBuild.WebApplication.CopyContentLinkedFiles.Dummy.txt b/ClassicDSD/ClassicDSDHTML5/MSBuild.WebApplication.CopyContentLinkedFiles.Dummy.txt new file mode 100644 index 0000000..64b7b7b --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/MSBuild.WebApplication.CopyContentLinkedFiles.Dummy.txt @@ -0,0 +1,8 @@ +This is the dummy text file which is added to make this NuGet package to be treated as project level one. +In current NuGet version there is exist problem that it treats all NuGet packages which don't have files in content or lib directories as solution level packages. + +This file will be when PowerShell script in install.ps1 will be executed by NuGet. + +More information about this problem can be found using the following links: +http://nuget.codeplex.com/discussions/396654 +http://nuget.codeplex.com/workitem/1910 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/Adapters/DSDCRNExpandedParser.ts b/ClassicDSD/ClassicDSDHTML5/Scripts/Adapters/DSDCRNExpandedParser.ts new file mode 100644 index 0000000..7d1db9f --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/Adapters/DSDCRNExpandedParser.ts @@ -0,0 +1,23 @@ +import * as GenericExpandingParser from '../../../../HTML5SharedGUI/HTML5DSD_Generic/Scripts/Adapters/GenericExpandingParser'; +import DSD from '../../../ClassicDSDTSWrapper/Scripts/ClassicDSD'; +import * as Interfaces from '../../../ClassicDSDTSWrapper/Scripts/Interfaces'; +import * as CrnInterfaces from '../../../../CRNEngine/CRNEngineTSWrapper/Scripts/Interfaces'; +import DSDParsingOptions from '../DSDParsingOptions'; +import DSDDirectives from '../DSDDirectives'; +import * as CrnEditor from '../../../../HTML5SharedGUI/HTML5CRN_Lib/Scripts/Adapters/KnockoutBasedCRNViewer'; +import * as CRNVM from '../../../../HTML5SharedGUI/CRNComponent/Scripts/crnVM'; + +//Uses ModellingEngine.ts layer to aquire parsed CRN code +export class Parser extends GenericExpandingParser.ExpandingParser { + constructor(private dsd: DSD) { + super(); + }; + + failureHandler(failure: any) { + this.dsd.Abort(); + }; + + getCRNStreams(code: string, options: DSDParsingOptions, model: CrnInterfaces.IG, settings: Interfaces.DsdSettings): GenericExpandingParser.IResultStreams { + return this.dsd.UserExpand(code, options.oldSyntax, model, settings); + }; +} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/Adapters/DSDCRNUnexpandedParser.ts b/ClassicDSD/ClassicDSDHTML5/Scripts/Adapters/DSDCRNUnexpandedParser.ts new file mode 100644 index 0000000..69ae385 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/Adapters/DSDCRNUnexpandedParser.ts @@ -0,0 +1,19 @@ +import * as GenericDSDParser from '../../../../HTML5SharedGUI/HTML5DSD_Generic/Scripts/Adapters/GenericDSDParser'; +import DSD from '../../../ClassicDSDTSWrapper/Scripts/ClassicDSD'; +import * as Interfaces from '../../../ClassicDSDTSWrapper/Scripts/Interfaces'; +import DSDParsingOptions from '../DSDParsingOptions'; + +//Uses ModellingEngine.ts layer to aquire parsed CRN code +export class Parser extends GenericDSDParser.Parser { + constructor(private dsd: DSD) { + super(); + }; + + failureHandler(failure: any) { + this.dsd.Abort(); + }; + + getCRNStreams(code: string, options: DSDParsingOptions): GenericDSDParser.IResultStreams { + return this.dsd.UserParse(code, options.oldSyntax); + }; +} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/DSDDirectives.ts b/ClassicDSD/ClassicDSDHTML5/Scripts/DSDDirectives.ts new file mode 100644 index 0000000..31ef6b9 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/DSDDirectives.ts @@ -0,0 +1,84 @@ +import { ExternalSetting as ExternalSetting, CRN as CRN } from '../../../HTML5SharedGUI/CRNComponent/Scripts/crnVM'; +import { DsdSettings as DsdSettings } from '../../ClassicDSDTSWrapper/Scripts/Interfaces'; +import * as DsdInterfaces from '../../ClassicDSDTSWrapper/Scripts/WebSharperGeneratedInterfaces'; +import * as ko from "knockout"; +import * as template from 'raw-loader!../Templates/dsddirectives_template.html'; + +class DSDDirectivesVM extends ExternalSetting { + constructor(owner: CRN) { + super(owner); + this.template(template); + this.Rules.subscribe(v => { if (this.source != null) this.source.rules = v; }); + this.Leaks.subscribe(v => { if (this.source != null) this.source.leaks = v; }); + this.PinLeaks.subscribe(v => { if (this.source != null) this.source.pin_leaks = v; }); + this.Polymers.subscribe(v => { if (this.source != null) this.source.polymers = v; }); + this.Unproductive.subscribe(v => { if (this.source != null) this.source.unproductive = v; }); + this.SequenceRates.subscribe(v => { if (this.source != null) this.source.sequence_rates = v; }); + this.Temperature.subscribe(v => { if (this.source != null) this.source.temperature = v; }); + this.StabilityCorrection.subscribe(v => { if (this.source != null) this.source.stabilityCorrection = v; }); + this.CoaxialDangle.subscribe(v => { if (this.source != null) this.source.coaxialDangle = v; }); + this.DoubleCoaxialDangle.subscribe(v => { if (this.source != null) this.source.doubleCoaxialDangle = v; }); + this.TerminalDangleFactor.subscribe(v => { if (this.source != null) this.source.terminalDangleFactor = v; }); + this.DeclareDomains.subscribe(v => { if (this.source != null) this.source.declare_domains = v; }); + this.CheckDNA.subscribe(v => { if (this.source != null) this.source.check_dna = v; }); + this.ColourToeholds.subscribe(v => { if (this.source != null) this.source.colour_toeholds = v; }); + this.PlotNames.subscribe(v => { if (this.source != null) this.source.plot_names = v; }); + this.ToeholdBindRate.subscribe(v => { if (this.source != null) this.source.toehold_bind_rate = v; }); + this.ToeholdUnbindRate.subscribe(v => { if (this.source != null) this.source.toehold_unbind_rate = v; }); + this.ToeholdLength.subscribe(v => { if (this.source != null) this.source.toehold_length = v; }); + this.SpecificityLength.subscribe(v => { if (this.source != null) this.source.specificity_length = v; }); + this.GeneratePredicates.subscribe(v => { if (this.source != null) this.source.generate_predicates = v; }); + this.IsJIT.subscribe(v => { if (this.source != null) this.source.is_jit = v; }); + } + private _source: DsdSettings; + public get source(): DsdSettings { return this._source; } + public set source(source: DsdSettings) { + this._source = source; + this.Rules(source.rules); + this.Leaks(source.leaks); + this.PinLeaks(source.pin_leaks); + this.Polymers(source.polymers); + this.Unproductive(source.unproductive); + this.SequenceRates(source.sequence_rates); + this.Temperature(source.temperature); + this.StabilityCorrection(source.stabilityCorrection); + this.CoaxialDangle(source.coaxialDangle); + this.DoubleCoaxialDangle(source.doubleCoaxialDangle); + this.TerminalDangleFactor(source.terminalDangleFactor); + this.DeclareDomains(source.declare_domains); + this.CheckDNA(source.check_dna); + this.ColourToeholds(source.colour_toeholds); + this.PlotNames(source.plot_names); + this.ToeholdBindRate(source.toehold_bind_rate); + this.ToeholdUnbindRate(source.toehold_unbind_rate); + this.ToeholdLength(source.toehold_length); + this.SpecificityLength(source.specificity_length); + this.GeneratePredicates(source.generate_predicates); + this.IsJIT(source.is_jit); + } + public Rules = ko.observable("Infinite"); + public RulesSelect = DsdInterfaces.WebSharperGeneratedInterfaces.Microsoft.Research.DNA.Options.semanticsSelect; + public Leaks = ko.observable(false); + public PinLeaks = ko.observable(false); + public Polymers = ko.observable(false); + public Unproductive = ko.observable(false); + public SequenceRates = ko.observable(false); + public Temperature = ko.observable(0); + public StabilityCorrection = ko.observable(0); + public CoaxialDangle = ko.observable(0); + public DoubleCoaxialDangle = ko.observable(0); + public TerminalDangleFactor = ko.observable(0); + public DeclareDomains = ko.observable(false); + public CheckDNA = ko.observable(false); + public ColourToeholds = ko.observable(false); + public PlotNames = ko.observable(false); + public ToeholdBindRate = ko.observable(0); + public ToeholdUnbindRate = ko.observable(0); + public ToeholdLength = ko.observable(0); + public SpecificityLength = ko.observable(0); + public GeneratePredicates = ko.observable("All_predicates"); + public GeneratePredicatesSelect = DsdInterfaces.WebSharperGeneratedInterfaces.Microsoft.Research.DNA.Options.generate_predicatesSelect; + public IsJIT = ko.observable(false); +} + +export default DSDDirectivesVM \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/DSDLang.ts b/ClassicDSD/ClassicDSDHTML5/Scripts/DSDLang.ts new file mode 100644 index 0000000..b6d8681 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/DSDLang.ts @@ -0,0 +1,189 @@ +var DSDLanguage = { + displayName: 'DSD', // start by writing your language name here + name: 'DSD', + mimeTypes: ['text/x-dsd'], + fileExtensions: ['dsd'], + + // used in the editor to insert comments (ctrl+/ or shift+alt+A) + lineComment: '// ', + blockCommentStart: '(*', + blockCommentEnd: '*)', + + // Set defaultToken to invalid to see what you do not tokenize yet + //defaultToken: 'invalid', + + keywords: [ + "CNil", + "END", + "Nil", + "SNil", + "agent", + "and", + "as", + "binding", + "bool", + "comp", + "compilation", + "complement", + "conc", + "condensed", + "constant", + "copy", + "data", + "def", + "declare", + "deterministic", + "diffusion", + "directive", + "div", + "dom", + "false", + "ff", + "force", + "if", + "inference", + "init", + "inside", + "int", + "jit", + "leak", + "leaks", + "lengths", + "localconcentrations", + "locations", + "migrate", + "module", + "moments", + "new", + "not", + "nucleotides", + "or", + "parameters", + "plot", + "plot_settings", + "polymers", + "prod", + "query", + "rate", + "rates", + "rendering", + "rules", + "rxn", + "seed", + "script", + "simulation", + "simulations", + "simulator", + "spatial", + "string", + "sub", + "sum", + "stochastic", + "sundials", + "sweeps", + "synthesis", + "task", + "tau", + "theta", + "toeholds", + "true", + "tt", + "units", + "unproductive", + "vol", + ], + + /*builtins: [ + 'rank', 'rankdir', 'ranksep', 'size', 'ratio', + 'label', 'headlabel', 'taillabel', + 'arrowhead', 'samehead', 'samearrowhead', + 'arrowtail', 'sametail', 'samearrowtail', 'arrowsize', + 'labeldistance', 'labelangle', 'labelfontsize', + 'dir', 'width', 'height', 'angle', + 'fontsize', 'fontcolor', 'same', 'weight', 'color', + 'bgcolor', 'style', 'shape', 'fillcolor', 'nodesep', 'id', + ],*/ + + attributes: [ + 'doublecircle', 'circle', 'diamond', 'box', 'point', 'ellipse', 'record', + 'inv', 'invdot', 'dot', 'dashed', 'dotted', 'filled', 'back', 'forward', + ], + + // we include these common regular expressions + symbols: /[=>&]+/, 'string.html'], + [/&\w+;/, 'string.html.escape'], + [/&/, 'string.html'], + [//, { token: 'string.html.quote', bracket: '@close', next: '@pop' }], + ],*/ + + string: [ + [/[^\\"&]+/, 'string'], + [/\\"/, 'string.escape'], + [/&\w+;/, 'string.escape'], + [/[\\&]/, 'string'], + [/"/, { token: 'string.quote', bracket: '@close', next: '@pop' }] + ], + + whitespace: [ + [/[ \t\r\n]+/, 'white'], + [/\(\*/, 'comment', '@comment'], + [/\/\/.*$/, 'comment'], + [/#.$/, 'comment'], + ], + }, +}; + +export default DSDLanguage \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/DSDParsingOptions.ts b/ClassicDSD/ClassicDSDHTML5/Scripts/DSDParsingOptions.ts new file mode 100644 index 0000000..d8721ed --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/DSDParsingOptions.ts @@ -0,0 +1,11 @@ +import ClassicDSD from '../../ClassicDSDTSWrapper/Scripts/ClassicDSD'; +import Options from '../../../HTML5SharedGUI/GenericComponents/Scripts/Options'; + +class DSDParsingOptions extends Options { + public constructor(private dsd: ClassicDSD) { + super(dsd); + } + oldSyntax: boolean = false; +} + +export default DSDParsingOptions \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/SequencesDatabase.css b/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/SequencesDatabase.css new file mode 100644 index 0000000..6239244 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/SequencesDatabase.css @@ -0,0 +1,16 @@ +.SequencesDatabaseMain { + display: flex; + flex-direction: column; + height: 100%; +} + +.SequencesDatabaseSection { + width: 100%; + flex-grow: 1; + display: flex; + flex-direction: column; +} + +.SequencesDatabaseText { + flex-grow: 1; +} diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/SequencesDatabase.ts b/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/SequencesDatabase.ts new file mode 100644 index 0000000..aa72263 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/SequencesDatabase.ts @@ -0,0 +1,86 @@ +import "./SequencesDatabase.css" +import * as ko from 'knockout'; +import DSD from '../../../ClassicDSDTSWrapper/Scripts/ClassicDSD'; +import * as fileSaver from "file-saver"; +import * as template from "raw-loader!./template.html"; +import * as toeholds from "raw-loader!./toeholds.txt"; +import * as specificities from "raw-loader!./specificities.txt"; + +class SequencesDatabaseVM { + constructor(engine: DSD) { + this.Toeholds.subscribe(t => { + engine.Toeholds = t; + window.localStorage.setItem("ToeholdsPersisted", t); + }); + var prevToeholds = window.localStorage.getItem("ToeholdsPersisted"); + if (prevToeholds == null || prevToeholds == "") + prevToeholds = engine.Toeholds; + this.Toeholds(prevToeholds); + + this.Specificities.subscribe(s => { + engine.Specificities = s; + window.localStorage.setItem("SpecificitiesPersisted", s); + }); + var prevSpecificities = window.localStorage.getItem("SpecificitiesPersisted"); + if (prevSpecificities == null || prevSpecificities == "") + prevSpecificities = engine.Specificities; + this.Specificities(prevSpecificities); + } + + public Toeholds = ko.observable(""); + public Specificities = ko.observable(""); + + private Save(ob: KnockoutObservable, name: string) { + var txt = ob(); + var blob = new Blob([txt], { type: "text/txt" }); + fileSaver.saveAs(blob, name); + } + + private Load(ob: KnockoutObservable) { + var that = this; + var filesInput = document.createElement("input"); + filesInput.type = "file"; + filesInput.onchange = function () { + var file = filesInput.files[0]; + var reader = new FileReader(); + reader.onload = function (event) { + var text = (event.target).result; + ob(text); + } + reader.readAsText(file); + }; + filesInput.click(); + } + + public SaveToeholds() { + this.Save(this.Toeholds, "toeholds.txt"); + } + + public LoadToeholds() { + this.Load(this.Toeholds); + } + + public ResetToeholds() { + this.Toeholds(toeholds); + } + + public SaveSpecificities() { + this.Save(this.Specificities, "specificities.txt"); + } + + public LoadSpecificities() { + this.Load(this.Specificities); + } + + public ResetSpecificities() { + this.Toeholds(specificities); + } +} + +function build(div: HTMLDivElement, engine: DSD) { + div.innerHTML = template; + var vm = new SequencesDatabaseVM(engine); + ko.applyBindings(vm, div); +} + +export default build \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/specificities.txt b/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/specificities.txt new file mode 100644 index 0000000..b706110 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/specificities.txt @@ -0,0 +1,2987 @@ +CCCAAAACAAAACAAAACAA +CCCTTTTCTAAACTAAACAA +CCCTTTACATTACATAACAA +CCCTTATCATATCAATACAA +CCCTTAACTTAACAAATCTA +CCCTATTCAATTCAAATCAA +CCCTATACTATACAATACTA +CCCTAATCTAATCATAACTA +CCCTAAACTTATCTAAACAT +CCCATTTCAAATCAAAACTT +CCCATTACTAATCAATTCAA +CCCATATCTATACATTACAA +CCCATAACTATTCTAAACTA +CCCAATTCTTAACATATCAA +CCCAATACTATTCATAACAT +CCCAAATCTTAACTATACTA +CCTATACCTTAACTTAACAA +CCATATCCATAACTTTACAA +CCATAACCTATACTTATCAA +CCATTTCCTTTTCTTAACTA +CCATTACCATATCTTATCAT +CCAAAACCATAACATAACTT +CCAATTCCAAAACTTATCTA +CCAATACCATTACTATTCAA +CCTTAACCTTTACTTTACTT +CCTTTTCCTAATCTTTACAT +CCTTTACCAAAACATTTCAA +CCTAATCCTTATCATTACTA +CCTATTCCTTTACAAATCAT +CCAAAACAAAACCTATACAA +CCTTTACATAACCTAATCAA +CCTTATCTAAACCAATACAT +CCTTATCAATACCTATTCTA +CCTTAACAAATCCAAAACTA +CCTATTCAAATCCTTTTCAA +CCTATACAATACCATTACAT +CCTAAACTTATCCTATTCAT +CCTAAACATTACCTAAACTT +CCATTACTTAACCTTTACTA +CCATAACAATTCCAATTCAT +CCAATTCATAACCAAAACAT +CCAATACTAATCCAATACTT +CCAAATCTTAACCAATTCTA +CCAAATCAATTCCTTAACAT +CCATATCAAAACAAAACCAA +CCTATACTAAACTAAACCAA +CCTAATCTTTACATAACCAA +CCTAATCATATCTATACCAA +CCTTTTCTTATCAAATCCAA +CCTTTTCATTACAATACCTA +CCTTAACTATTCAATACCAA +CCAATACAAATCATAACCTA +CCAATTCTATACAATTCCAA 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+
+ + Toehold domains: + + + + + +
+
+ + Recognition domains: + + + + + +
+
\ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/toeholds.txt b/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/toeholds.txt new file mode 100644 index 0000000..f091a67 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/SequencesDatabase/toeholds.txt @@ -0,0 +1,16 @@ +TATTCC +GCTA +GTCA +TACCAA +CATCG +ACTACAC +CTCAG +CTCAATC +CCTACG +TCTCCA +CCCT +GACA +ACCT +TAGCCA +CACACA +AGAC \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Scripts/app.ts b/ClassicDSD/ClassicDSDHTML5/Scripts/app.ts new file mode 100644 index 0000000..d4c6e05 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Scripts/app.ts @@ -0,0 +1,291 @@ +import { Launch as Bootstrap } from '../../../HTML5SharedGUI/HTML5DSD_Generic/Scripts/GenericApp'; +import { Parser as NotExpandingParser } from './Adapters/DSDCRNUnexpandedParser'; +import { Parser as ExpandingParser } from './Adapters/DSDCRNExpandedParser'; +import { INamedMonarchLanguage } from '../../../HTML5SharedGUI/CodeEditor/Scripts/CodeEditor'; +import * as CrnEditor from '../../../HTML5SharedGUI/HTML5CRN_Lib/Scripts/Adapters/KnockoutBasedCRNViewer'; +import DSDLanguage from './DSDLang'; +import DSD from '../../ClassicDSDTSWrapper/Scripts/ClassicDSD'; +import Options from './DSDParsingOptions'; +import * as ko from 'knockout'; +import SequencesDatabase from './SequencesDatabase/SequencesDatabase'; +import DSDDirectives from './DSDDirectives'; +import { DsdSettings as DsdSettings } from '../../ClassicDSDTSWrapper/Scripts/Interfaces'; +import * as optionsTemplate from "raw-loader!../Templates/options_template.html"; +import CRNEditor from '../../../HTML5SharedGUI/HTML5CRN_Lib/Scripts/Components/CRNCodeEditor'; +import * as CRNVM from '../../../HTML5SharedGUI/CRNComponent/Scripts/crnVM'; + +var path = "./Examples/DSDModels/"; +var lpPath = path + "RulesDSD/" +var examples: ExamplesGroup[] = [ + //{ + // Name: "Group 1", + // Correspondence: { "Catalytic" : path+"Catalytic.txt" + // , "Catalytic with sequence-based rate calculations": path+"CatalyticSequenceRates.txt" + // , "3-stator transmission line" : path+"TransmissionLines.txt" + // } + //} + { + Name: "Manual", + Correspondence: { + "Join": path + "Manual/Join.txt" + , "Join - Inference": path + "Manual/Join-Inference.txt" + , "Join - Inference - Samples": path + "Manual/Join-Inference-Samples.txt" + , "Join - CTMC": path + "Manual/Join-CTMC.txt" + , "Join - Initials": path + "Manual/Join-Initials.txt" + , "Join - Stochastic": path + "Manual/Join-Stochastic.txt" + , "Join - LNA": path + "Manual/Join-LNA.txt" + , "Join - CME": path + "Manual/Join-CME.txt" + , "Join - Spatial": path + "Manual/Join-Spatial.txt" + , "Join - Nucleotides": path + "Manual/Join-Nucleotides.txt" + , "Join - Reactions": path + "Manual/Join-Reactions.txt" + , "Join - Subdomains": path + "Manual/Join-Subdomains.txt" + , "Join - Unique": path + "Manual/Join-Unique.txt" + , "Join - Localised": path + "Manual/Join-Localised.txt" + , "Join - JIT": path + "Manual/Join-JIT.txt" + , "Join - Leaks": path + "Manual/Join-Leaks.txt" + } + } + , + { + Name: "Spaccasassi et al., (ACS Synth Biol 2018)", + Correspondence: { + "Join - Rules": lpPath + "join_simple.txt" + , "Join - infinite semantics": lpPath + "join_infinite.txt" + , "Join - Kinetic rates": lpPath + "join_kinetic_rates.txt" + , "Catalytic - Rules": lpPath + "catalytic.txt" + , "Enzymes": lpPath + "enzymes.txt" + , "Oligator": lpPath + "oligator.txt" + , "Oligator nucleotides": lpPath + "oligator_nucleotides.txt" + , "Ribocomputing AND gate": lpPath + "ribocomputing_AND.txt" + , "Ribocomputing OR gate": lpPath + "ribocomputing_OR.txt" + , "Localized HCR": lpPath + "localized_hcr.txt" + , "Cargo-sorting DNA robot": lpPath + "cargo_sorting_DNA_robot.txt" + , "Enzymatic walker": lpPath + "walker_enzymatic.txt" + } + } + , + { + Name: "Catalytic (Science 2007)", + Correspondence: { + "Catalytic": path + "Scienze 2007 - Catalytic.txt" + , "Catalytic Directives": path + "Scienze 2007 - Catalytic Directives.txt" + } + } + , + { + Name: "Yordanov et al. (ACS Synth Biol 2014)", + Correspondence: { + "PI Controller - 2Domain": path + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.txt" + , "PI Controller - 4Domain": path + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.txt" + , "PI Controller - DNA Enzymes": path + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.txt" + , "PI Controller - RNA Enzymes": path + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.txt" + , "PI Controller - CRN": path + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.txt" + } + } + , + { + Name: "Kim et al. (MSB 2011)", + Correspondence: { "Oscillator - Kim": path + "Kim et al., Mol Syst Biol 2011 - Oscillator.txt" } + } + , + { + Name: "Montagne et al. (MSB 2011)", + Correspondence: { "Oscillator - Montagne": path + "Montagne et al., Mol Syst Biol 2011 - Oscillator.txt" } + } + , + { + Name: "Lakin et al. (DNA 2014)", + Correspondence: { + "Transmission lines": path + "Lakin et al., DNA 2014 - Transmission lines.txt" + , "Remote transmission lines": path + "Lakin et al., DNA 2014 - Remote transmission lines.txt" + , "Threshold-based spatial AND": path + "Lakin et al., DNA 2014 - Threshold spatial AND.txt" + , "Threshold-based spatial AND (reporter)": path + "Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.txt" + } + } + , + { + Name: "Lakin, Parker et al. (Interface 2012)", + Correspondence: { "Model-checking examples": path + "Lakin, Parker et al., Interface 2012 - Model-checking examples.txt" } + } + , + { + Name: "Lakin et al. (Interface 2012)", + Correspondence: { + "Join gates": path + "Lakin et al., Interface 2012 - Join gates.txt" + , "Buffered oscillators": path + "Lakin et al., Interface 2012 - Buffered oscillators.txt" + , "Unbuffered oscillators": path + "Lakin et al., Interface 2012 - Unbuffered oscillators.txt" + } + } + , + { + Name: "Co-operative", + Correspondence: { + "Lotka": path + "Co-operative - Lotka.txt" + , "Mapk": path + "Co-operative - Mapk.txt" + } + } + , + { + Name: "Simple", + Correspondence: { + "AND Circuit": path + "Simple - AND Circuit.txt" + , "Migrations": path + "Simple - Migrations.txt" + , "Monomers": path + "Simple - Monomers.txt" + , "Hairpin-free HCR ": path + "Simple - Hairpin-free HCR.txt" + } + } + , + { + Name: "3-domain (DNA 2010)", + Correspondence: { + "Transducer": path + "3-domain, DNA 2016 - Transducer.txt" + , "Transducer Composition": path + "3-domain, DNA 2016 - Transducer Composition.txt" + , "Buffered Transducer": path + "3-domain, DNA 2016 - Buffered Transducer.txt" + , "Buffered Fork": path + "3-domain, DNA 2016 - Buffered Fork.txt" + , "Buffered Join": path + "3-domain, DNA 2016 - Buffered Join.txt" + , "Oscillating": path + "3-domain, DNA 2016 - Oscillating.txt" + , "Ultrasensitive": path + "3-domain, DNA 2016 - Ultrasensitive.txt" + } + } + , + { + Name: "2-domain (DCM)", + Correspondence: { + "Two-domain transducer": path + "2-domain, DCM - Two-domain transducer.txt" + , "Two-domain fork/join": path + "2-domain, DCM - Two domain fork-join.txt" + } + } + , + { + Name: "Stack machine (DNA 2011)", + Correspondence: { + "Ripple carry adder": path + "Stack Machine, DNA17 - Ripple carry adder.txt" + } + } + , + { + Name: "Zhang (Science 2007)", + Correspondence: { + "Fluorescent Catalytic": path + "Zhang, Science 2007 - Fluorescent Catalytic.txt" + , "Autocatalytic": path + "Zhang, Science 2007 - Autocatalytic.txt" + , "Feed Forward": path + "Zhang, Science 2007 - Feed forward.txt" + , "Cross Catalytic": path + "Zhang, Science 2007 - Cross Catalytic.txt" + , "And Gate": path + "Zhang, Science 2007 - And Gate.txt" + , "Independent Input": path + "Zhang, Science 2007 - Independent Input.txt" + } + } + , + { + Name: "Square root", + Correspondence: { "Qian and Winfree 4 bit square root circuit": path + "Square root - Qian and Winfree 4 bit square root circuit.txt" } + } + , + { + Name: "Localization", + Correspondence: { + "OR gate": path + "Localization - OR gate.txt" + , "OR gate with nicks": path + "Localization - OR gate with nicks.txt" + , "AND gate": path + "Localization - AND gate.txt" + , "AND gate with nicks": path + "Localization - AND gate with nicks.txt" + , "Wires": path + "Localization - Wires.txt" + , "OR of ANDs": path + "Localization - OR of ANDs.txt" + , "Square root": path + "Localization - Square root.txt" + } + } + , + { + Name: "Consensus (Nature Nanotechnology 2013)", + Correspondence: { + "Consensus Modules": path + "Nature Nanotech 2013 - Consensus Modules.txt" + , "Consensus Parameterized": path + "Nature Nanotech 2013 - Consensus Parameterized.txt" + } + } + , + { + Name: "Formal Analysis", + Correspondence: { + "Fanout (localized)": path + "Formal Analysis - (localized) Fanout.txt" + , "Fanout": path + "Formal Analysis - Fanout.txt" + , "And": path + "Formal Analysis - And.txt" + , "Or": path + "Formal Analysis - Or.txt" + , "SQRT (localized)": path + "Formal Analysis - (localized) SQRT.txt" + , "SQRT (localized Fanout)": path + "Formal Analysis - (localized Fanout) SQRT.txt" + , "SQRT": path + "Formal Analysis - SQRT.txt" + } + } +]; + +var engine = new DSD(Options.Server()); + +var expandingParser = new ExpandingParser(engine); +var notExpandingParser = new NotExpandingParser(engine); +var options = new Options(engine); +var dsdSettings: CRNVM.ExternalSetting = null; + +var customSettingsConverter = { + convert: function (owner: CRNVM.CRN, settings: DsdSettings): CRNVM.ExternalSetting[] { + var ret = new DSDDirectives(owner); + ret.source = settings; + return [ret]; + }, + convertBack: function (src: CRNVM.CRN): DsdSettings { + if (src.externalSettings().length > 0) + return (src.externalSettings()[0]).source; + return null; + } +}; + +Bootstrap(DSDLanguage, examples, notExpandingParser, expandingParser, engine, options, customSettingsConverter); + +function addOptions() { + var optionsContainer = document.getElementById("options"); + optionsContainer.innerHTML = optionsTemplate; + var $_elem = $(optionsContainer); + $('ul.dropdown_menu li ul', $_elem).hide(); + var $li = $('ul.dropdown_menu li', $_elem); + $li.focusout(function (this: JQuery) { + //$('ul', this).stop().slideUp(200); + }); + $li.focusin(function (this: JQuery) { + $('ul', this).stop().slideDown(200); + }); + $li.hover(function (this: JQuery) { + $('ul', this).stop().slideDown(200); + }, + function (this: JQuery) { + // If there are any text inputs within the control, then I don't want to close it just because the user moves the mouse away. + var focused = $("*:focus", this); + for (let i = 0; i < focused.length; i++) + if (focused[i].tagName.toLowerCase() == "input" && ((focused[i]).type == "text")) + return; + $('ul', this).stop().slideUp(200); + }); + /*var toolbar = document.getElementById("toolbar"); + var executionStatus = document.getElementById("execution-status"); + var oldSyntaxCheckbox = document.createElement("input"); + oldSyntaxCheckbox.type = "checkbox"; + oldSyntaxCheckbox.setAttribute("data-bind", "checked: oldSyntax"); + toolbar.insertBefore(oldSyntaxCheckbox, executionStatus); + toolbar.insertBefore(document.createTextNode("old syntax"), executionStatus);*/ + ko.applyBindings(options, optionsContainer); +} + +function addSequencesDatabase() { + var containerTab = document.getElementById("libraryTab"); + var sequencesDatabaseListItem = document.createElement("li"); + var sequencesDatabaseAnchor = document.createElement("a"); + sequencesDatabaseAnchor.href = "#sequencesDatabase"; + sequencesDatabaseAnchor.appendChild(document.createTextNode("Sequences")); + sequencesDatabaseListItem.appendChild(sequencesDatabaseAnchor); + var tabList = $("#libraryTab>ul")[0]; + tabList.insertBefore(sequencesDatabaseListItem, tabList.firstChild); + var sequencesDiv = document.createElement("div"); + sequencesDiv.setAttribute("class", "tabPanel"); + sequencesDiv.setAttribute("id", "sequencesDatabase"); + containerTab.insertBefore(sequencesDiv, document.getElementById("dataTab")); + $("#libraryTab").tabs("refresh"); + SequencesDatabase(sequencesDiv, engine); +} + +addOptions(); +addSequencesDatabase(); \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Styles/App.css b/ClassicDSD/ClassicDSDHTML5/Styles/App.css new file mode 100644 index 0000000..e69de29 diff --git a/ClassicDSD/ClassicDSDHTML5/Templates/dsddirectives_template.html b/ClassicDSD/ClassicDSDHTML5/Templates/dsddirectives_template.html new file mode 100644 index 0000000..9c502ce --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Templates/dsddirectives_template.html @@ -0,0 +1,89 @@ +

DSD:

+
+
Compilation:
+ +
+
+
Leaks:
+ +
+
+
Pin leaks:
+ +
+
+
Polymers:
+ +
+
+
Unproductive:
+ +
+ +
+
Declare domains:
+ +
+
+
Check DNA:
+ +
+
+
Colour toeholds:
+ +
+
+
Plot names:
+ +
+
+
Toehold bind rate:
+ +
+
+
Toehold unbind rate:
+ +
+
+
Toehold length:
+ +
+
+
Specificity length:
+ +
+
+
Generate predicates:
+ +
+ +
+
JIT:
+ +
diff --git a/ClassicDSD/ClassicDSDHTML5/Templates/index.html b/ClassicDSD/ClassicDSDHTML5/Templates/index.html new file mode 100644 index 0000000..9023dfb --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Templates/index.html @@ -0,0 +1,16 @@ + + + + Classic DSD Tool + + + + +
+
+
+

Loading...

+
+
+ + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/Templates/options_template.html b/ClassicDSD/ClassicDSDHTML5/Templates/options_template.html new file mode 100644 index 0000000..9b48569 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/Templates/options_template.html @@ -0,0 +1,23 @@ + + Options + + + + +
+ + +
+
+
\ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/build.fsx b/ClassicDSD/ClassicDSDHTML5/build.fsx new file mode 100644 index 0000000..3ad8438 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/build.fsx @@ -0,0 +1,37 @@ +#r "paket: groupref Build //" +#load "./.fake/build.fsx/intellisense.fsx" + +#if !FAKE +#r "netstandard" +#endif + +open Fake.Core +open Fake.Core.TargetOperators + +#load "../../Builds/Builds/BuildHelper.fs" +open BuildHelper + +let localPort = "18851" +let projectFile = "ClassicDSDHTML5.csproj" +let projectFolder = "." + +Target.create "Run" (fun _ -> + runDotNet ("serve -d dist -p "+localPort+" -o") projectFolder +) + +Target.create "Clean" (fun _ -> + runDotNet "clean" projectFolder +) + +Target.create "Build" (fun _ -> + runDotNet "build" projectFolder +) + +Target.create "Yarn" yarnInstall + +"Clean" + ==> "Yarn" + ==> "Build" + ==> "Run" + +Target.runOrDefault "Build" diff --git a/ClassicDSD/ClassicDSDHTML5/declarations.d.ts b/ClassicDSD/ClassicDSDHTML5/declarations.d.ts new file mode 100644 index 0000000..15d00a4 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/declarations.d.ts @@ -0,0 +1,19 @@ +declare module "raw-loader*" +declare module "idd" { + var InteractiveDataDisplay: any; + export = InteractiveDataDisplay; +} +declare module "tinycolor" { + var tinycolor: any; + export = tinycolor; +} +declare module "monaco-editor" { + var monaco: any; + export = monaco; +} +declare module "worker-loader*" { + class WebpackWorker extends Worker { + constructor(); + } + export default WebpackWorker; +} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/favicon.ico b/ClassicDSD/ClassicDSDHTML5/favicon.ico new file mode 100644 index 0000000..85a4d9f Binary files /dev/null and b/ClassicDSD/ClassicDSDHTML5/favicon.ico differ diff --git a/ClassicDSD/ClassicDSDHTML5/images/ms-logo.png b/ClassicDSD/ClassicDSDHTML5/images/ms-logo.png new file mode 100644 index 0000000..0e9fed0 Binary files /dev/null and b/ClassicDSD/ClassicDSDHTML5/images/ms-logo.png differ diff --git a/ClassicDSD/ClassicDSDHTML5/paket.references b/ClassicDSD/ClassicDSDHTML5/paket.references new file mode 100644 index 0000000..999fa17 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/paket.references @@ -0,0 +1,5 @@ +group JavaScriptBuild + +Yarn.MSBuild +Node.js.redist +Microsoft.TypeScript.MSBuild \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/run.cmd b/ClassicDSD/ClassicDSDHTML5/run.cmd new file mode 100644 index 0000000..d8cba23 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/run.cmd @@ -0,0 +1 @@ +dotnet fake build --target run \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/tsconfig.json b/ClassicDSD/ClassicDSDHTML5/tsconfig.json new file mode 100644 index 0000000..7245a2a --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/tsconfig.json @@ -0,0 +1,13 @@ +{ + "extends": "../../tsconfig.common", + "include": [ + "*.ts", + "Scripts/*.ts", + "Scripts/Adapters/*.ts", + "Scripts/SequencesDatabase/*.ts", + "Samples/**/*.ts" + ], + "exclude": [ + "Scripts/**/*.d.ts" + ] +} diff --git a/ClassicDSD/ClassicDSDHTML5/web.Debug.config b/ClassicDSD/ClassicDSDHTML5/web.Debug.config new file mode 100644 index 0000000..2e302f9 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/web.Debug.config @@ -0,0 +1,30 @@ + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/web.Release.config b/ClassicDSD/ClassicDSDHTML5/web.Release.config new file mode 100644 index 0000000..c358444 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/web.Release.config @@ -0,0 +1,31 @@ + + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/web.config b/ClassicDSD/ClassicDSDHTML5/web.config new file mode 100644 index 0000000..ad4a586 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/web.config @@ -0,0 +1,57 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + True + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDHTML5/webpack.config.js b/ClassicDSD/ClassicDSDHTML5/webpack.config.js new file mode 100644 index 0000000..44f4926 --- /dev/null +++ b/ClassicDSD/ClassicDSDHTML5/webpack.config.js @@ -0,0 +1,143 @@ +/// +"use strict"; +var webpack = require('webpack'); +var HtmlWebpackPlugin = require('html-webpack-plugin'); +var CleanWebpackPlugin = require('clean-webpack-plugin'); +var WorkboxPlugin = require('workbox-webpack-plugin'); +var path = require('path'); +var MonacoWebpackPlugin = require('monaco-editor-webpack-plugin'); +var CopyWebpackPlugin = require('copy-webpack-plugin'); + +module.exports = env => { + if (env === undefined || env === null) + env = {}; + if (env.mode === undefined || env === null) + env.mode = "development"; + console.log("Mode is set to " + env.mode); + return { + mode: env.mode, + devtool: "source-map", + entry: { + app: "./Scripts/app.js" + }, + output: { + filename: "./[name].[chunkhash].js", + path: path.resolve(__dirname, 'dist') + }, + optimization: { + splitChunks: { + chunks: 'all' + } + }, + // Suppress warnings about large file sizes. This is a complex app and we have a lot of code. That's why we have a loading screen. + performance: { hints: false }, + resolve: { + alias: { + idd$: path.resolve(__dirname, '../../node_modules/interactive-data-display/dist/idd_knockout.js'), + svg$: path.resolve(__dirname, '../../node_modules/svgjs'), + filesaver$: path.resolve(__dirname, '../../node_modules/file-saver'), + jquery$: path.resolve(__dirname, '../../node_modules/jquery') + } + }, + node: { + fs: 'empty' + }, + module: { + rules: [ + { + // https://github.com/webpack/webpack/issues/1406 + // Possible long-term fix: switch from KO to TKO. + test: require.resolve('jquery'), + use: [{ + loader: 'expose-loader', + options: 'jQuery' + }] + }, + { + test: /\.css$/, + use: ['style-loader', 'css-loader'] + }, + { + test: /\.(woff(2)?|ttf|eot)(\?v=\d+\.\d+\.\d+)?$/, + use: [{ + loader: 'file-loader', + options: { + name: '[name].[ext]', + outputPath: 'fonts/' + } + }] + }, + { + test: /\.(svg|png)(\?v=\d+\.\d+\.\d+)?$/, + use: [{ + loader: 'file-loader', + options: { + name: '[name].[ext]', + outputPath: 'img/' + } + }] + }, + { + test: /\.wasm$/, + type: "javascript/auto", + loader: "file-loader" + } + ] + }, + plugins: [ + new CleanWebpackPlugin(['dist']), + new CopyWebpackPlugin([{ + from: 'Examples/**', + to: '.', + context: '../', + flatten: false + }, { + from: 'Examples/**', + to: '.', + context: '../../CRNEngine/', + flatten: false, + }, { + from: '../../HTML5SharedGUI/GenericComponents/Styles/shared.css', + to: 'shared.css', + flatten: true + }, { + from: '../../HTML5SharedGUI/SimulationViewer/Img/refresh_icon.png', + to: 'img/refresh_icon.png', + flatten: true + }, { + from: '../../CRNEngine/HTML5CRN/favicon.ico', + to: 'favicon.ico', + flatten: true + }, { + from: './web.config', + to: '.', + flatten: true + }, { + from: 'Docs/*', + to: 'Docs', + flatten: true + },]), + new webpack.ProvidePlugin({ + $: 'jquery', + jQuery: 'jquery', + Rx: 'rx', + ko: 'knockout', + SVG: 'svgjs', + saveAs: 'file-saver', + jQuery_mousewheel: 'jquery-mousewheel' + }), + new MonacoWebpackPlugin({ languages: [] }), + new HtmlWebpackPlugin({ + template: './Templates/index.html', + filename: './index.html' //relative to root of the application + }), + new WorkboxPlugin.GenerateSW({ + swDest: './service-worker.js', + clientsClaim: true, + skipWaiting: true, + // We have quite a lot of code, but we still want to precache it. + maximumFileSizeToCacheInBytes: 5 * 1024 * 1024 + }) + ] + }; +}; \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDIntegrationTests/App.config b/ClassicDSD/ClassicDSDIntegrationTests/App.config new file mode 100644 index 0000000..4e743a8 --- /dev/null +++ b/ClassicDSD/ClassicDSDIntegrationTests/App.config @@ -0,0 +1,371 @@ + + + + + + + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDIntegrationTests/AssemblyInfo.fs b/ClassicDSD/ClassicDSDIntegrationTests/AssemblyInfo.fs new file mode 100644 index 0000000..63b23a5 --- /dev/null +++ b/ClassicDSD/ClassicDSDIntegrationTests/AssemblyInfo.fs @@ -0,0 +1,41 @@ +namespace ClassicDSDIntegrationTests.AssemblyInfo + +open System.Reflection +open System.Runtime.CompilerServices +open System.Runtime.InteropServices + +// General Information about an assembly is controlled through the following +// set of attributes. Change these attribute values to modify the information +// associated with an assembly. +[] +[] +[] +[] +[] +[] +[] +[] + +// Setting ComVisible to false makes the types in this assembly not visible +// to COM components. If you need to access a type in this assembly from +// COM, set the ComVisible attribute to true on that type. +[] + +// The following GUID is for the ID of the typelib if this project is exposed to COM +[] + +// Version information for an assembly consists of the following four values: +// +// Major Version +// Minor Version +// Build Number +// Revision +// +// You can specify all the values or you can default the Build and Revision Numbers +// by using the '*' as shown below: +// [] +[] +[] + +do + () \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDIntegrationTests/ClassicDSDIntegrationTests.fsproj b/ClassicDSD/ClassicDSDIntegrationTests/ClassicDSDIntegrationTests.fsproj new file mode 100644 index 0000000..533cc75 --- /dev/null +++ b/ClassicDSD/ClassicDSDIntegrationTests/ClassicDSDIntegrationTests.fsproj @@ -0,0 +1,36 @@ + + + + netcoreapp3.1 + Exe + x64 + x64 + true + + + + + + + + + + + + + + ..\..\Lib\Oslo.FSharp\Oslo.FSharp.dll + + + + + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDIntegrationTests/Program.fs b/ClassicDSD/ClassicDSDIntegrationTests/Program.fs new file mode 100644 index 0000000..f5237b6 --- /dev/null +++ b/ClassicDSD/ClassicDSDIntegrationTests/Program.fs @@ -0,0 +1,35 @@ +open System +open System.IO +open Expecto +open canopy +open canopy.classic +open canopy.types +open Microsoft.AspNetCore.Hosting +open Microsoft.Research.CRNEngineServerLib +open Microsoft.Research.ClassicDSDServer +open Microsoft.Research.CRNIntegrationTestLib + +[] +let main args = + System.Globalization.CultureInfo.DefaultThreadCurrentCulture <- System.Globalization.CultureInfo.InvariantCulture + + let (groups,timeout,args) = Program.separateArgs args + + let server = Server.startWebServer Program.processRequest ClassicDSDServer.BuildSettings.homeFolder ClassicDSDServer.BuildSettings.jobsFolder ClassicDSDServer.BuildSettings.port + + let result = + try + let url = Server.starturl ClassicDSDServer.BuildSettings.port + BrowserSetup.configureCanopy timeout + let tests = Tests.tests groups Tests.Localhost url + Program.run args tests + finally + printfn "Shutting down server..." + server.StopAsync() |> ignore + canopy.classic.quit() + + if System.Diagnostics.Debugger.IsAttached then + printf "Press any key to exit" + System.Console.ReadKey() |> ignore + + result diff --git a/ClassicDSD/ClassicDSDIntegrationTests/Tests.fs b/ClassicDSD/ClassicDSDIntegrationTests/Tests.fs new file mode 100644 index 0000000..c36969a --- /dev/null +++ b/ClassicDSD/ClassicDSDIntegrationTests/Tests.fs @@ -0,0 +1,47 @@ +module Tests + +open Expecto +open canopy +open canopy.classic +open OpenQA.Selenium +open Microsoft.Research.CRNIntegrationTestLib.Tests + +let testCaseExample address = testCaseExample address "#sg-editor" + +let tests groups mode address = + let groups = if groups = [||] then [|"default"|] else groups + printfn "Testing: %s" (System.String.Join(", ",groups)) + testList "UI" [ + if Array.contains "all_examples" groups then yield testList "all_examples" [ + load address + let options = (element "#dsdCode").FindElement(By.CssSelector ".c-examples").FindElements(By.CssSelector "option") |> Seq.map (fun (opt:IWebElement) -> opt.Text) |> Seq.skip 1 + for ex in options do + // This kludge is to avoid failing tests for Consensus Parameterized, that doesn't provide the necessary data files. Longer term, we need to decide what to do with this example. + // I'm also excluding Localized HCR, which runs into a stack overflow in release mode. That particular issue sounds extremely hard to debug. + if ex <> "Consensus Parameterized" && ex <> "Localized HCR" then + yield testCaseExample address ex + ] + if Array.contains "default" groups then yield testList "default" [ + //Direct URL request + (*yield testCase "Smoke" <| fun _ -> + let body = + Request.createUrl Get Microsoft.Research.ClassicDSDServer.Program.url + |> Request.responseAsString + |> run + + Expect.stringContains body "Classic DSD Tool" "It really should"*) + //Canopy browser automation + yield testCase "Canopy Smoke" <| fun _ -> + load address + () + + yield testCase "Inference Smoke" <| fun _ -> + load address + + selectExample "#sg-editor" "Join - Inference" + + infer() + + () + ] + ] \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDIntegrationTests/build.fsx b/ClassicDSD/ClassicDSDIntegrationTests/build.fsx new file mode 100644 index 0000000..0991e0d --- /dev/null +++ b/ClassicDSD/ClassicDSDIntegrationTests/build.fsx @@ -0,0 +1,33 @@ +#r "paket: groupref Build //" +#load ".fake/build.fsx/intellisense.fsx" +open Fake.Core +open Fake.DotNet +open Fake.IO +open Fake.IO.FileSystemOperators +open Fake.IO.Globbing.Operators +open BlackFox.Fake + +#load "../../Builds/Builds/PublishHelper.fs" +open PublishHelper +#load "../ClassicDSDServer/BuildSettings.fs" + +let copyRequiredFilestoOutput projectDir outDir configuration = + copySundials projectDir outDir configuration + copyWebStuff projectDir outDir ClassicDSDServer.BuildSettings.homeFolder + copyJobStuff projectDir outDir ClassicDSDServer.BuildSettings.jobsFolder + +let build = BuildTask.createFn "Build" [] (fun args -> + let settings = parseSettings args.Context.Arguments + copyRequiredFilestoOutput settings.["ProjectDir"] settings.["OutDir"] settings.["Configuration"] +) + +//Example: +//dotnet fake build --target Publish ProjectDir="E:\dev\biocomputing\ClassicDSD\ClassicDSDServer\" PublishDir="bin\Debug\netcoreapp3.0\publish\" Configuration=Debug +let publish = BuildTask.createFn "Publish" [] (fun args -> + let settings = parseSettings args.Context.Arguments + copyRequiredFilestoOutput settings.["ProjectDir"] settings.["PublishDir"] settings.["Configuration"] +) + +let nothing = BuildTask.createEmpty "Nothing" [] + +BuildTask.runOrDefaultWithArguments nothing \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDIntegrationTests/paket.references b/ClassicDSD/ClassicDSDIntegrationTests/paket.references new file mode 100644 index 0000000..0d34aef --- /dev/null +++ b/ClassicDSD/ClassicDSDIntegrationTests/paket.references @@ -0,0 +1,9 @@ +group DOTNETCORE + +Canopy +Expecto +FSharp.Core +Selenium.WebDriver +Selenium.WebDriver.ChromeDriver +Selenium.WebDriver.GeckoDriver.Win64 +Selenium.WebDriver.MicrosoftWebDriver \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDJS/ClassicDSDJS.fsproj b/ClassicDSD/ClassicDSDJS/ClassicDSDJS.fsproj new file mode 100644 index 0000000..a6eac94 --- /dev/null +++ b/ClassicDSD/ClassicDSDJS/ClassicDSDJS.fsproj @@ -0,0 +1,173 @@ + + + + netstandard2.0 + true + + + TRACE;JavaScript + + + TRACE;JavaScript + + + + + types.fsi + + + types.fs + + + errors.fsi + + + errors.fs + + + value.fsi + + + value.fs + + + measures.fsi + + + measures.fs + + + defaultDatabase.fs + + + options.fsi + + + options.fs + + + domain.fsi + + + domain.fs + + + strand.fsi + + + strand.fs + + + segment.fsi + + + segment.fs + + + gate.fsi + + + gate.fs + + + origami.fsi + + + origami.fs + + + species.fsi + + + species.fs + + + sequence.fsi + + + sequence.fs + + + sequenceCalc.fsi + + + sequenceCalc.fs + + + visualisation.fsi + + + visualisation.fs + + + svg.fsi + + + svg.fs + + + + + branchesrenderer.fsi + + + branchesrenderer.fs + + + dsdreaction.fsi + + + dsdreaction.fs + + + pattern.fsi + + + pattern.fs + + + process.fsi + + + process.fs + + + syntax.fsi + + + syntax.fs + + + AssemblyInfo.fs + + + DSDParser.fs + + + SLConversion.fs + + + dsd.fsi + + + dsd.fs + + + jsapi.fs + + + + + + + + + + ..\..\Lib\Oslo-FSharp.websharper\Oslo.FSharp.WebSharper.dll + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDJS/Content/placeholder.js b/ClassicDSD/ClassicDSDJS/Content/placeholder.js new file mode 100644 index 0000000..abdc011 --- /dev/null +++ b/ClassicDSD/ClassicDSDJS/Content/placeholder.js @@ -0,0 +1 @@ +// This file takes the place of the W# output, in cases where W# is not invoked (i.e. server mode). A file must exist, even if it's empty, so that Webpack can handle references properly. \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDJS/jsonapi.fs b/ClassicDSD/ClassicDSDJS/jsonapi.fs new file mode 100644 index 0000000..18a7c28 --- /dev/null +++ b/ClassicDSD/ClassicDSDJS/jsonapi.fs @@ -0,0 +1,82 @@ +[] +module Microsoft.Research.DNA.JSONAPI +open WebSharper +open Microsoft.Research.DNA.Dsd +open Microsoft.Research.DNA.JSAPI +open Microsoft.Research.CRNEngine +open Microsoft.Research.DNA + +type ParseResult = + { bundle : bundle + ; settings : obj + ; unexpanded : obj } + +let set_options (result:ParseResult) (settings:obj) : ParseResult = + let settings:Options.t = WebSharper.Json.Decode settings in + let result:JSAPI.ParseResult = { bundle = result.bundle; settings = WebSharper.Json.Decode result.settings; unexpanded = WebSharper.Json.Decode result.unexpanded } + let result = JSAPI.set_options result settings + { bundle = result.bundle ; settings = WebSharper.Json.Encode result.settings; unexpanded = WebSharper.Json.Encode result.unexpanded } + +let user_parse (code:obj) : ParseResult = + let code:ParseObject = WebSharper.Json.Decode code in + let pr = JSAPI.user_parse code in + let unexpanded = WebSharper.Json.Encode pr.unexpanded in + let settings = WebSharper.Json.Encode pr.settings in + { bundle = pr.bundle ; settings = settings ; unexpanded = unexpanded } + +let user_expand (bundle:bundle) : obj = + let gui = JSAPI.user_expand bundle in + let ret = WebSharper.Json.Encode gui in + ret + +let user_compile (code:obj) : obj = + let code:ParseObject = WebSharper.Json.Decode code in + let gui = JSAPI.user_compile code in + let ret = WebSharper.Json.Encode gui in + ret + +let user_parse_oldsyntax (code:ParseObject) : ParseResult = + let code:ParseObject = WebSharper.Json.Decode code in + let pr = JSAPI.user_parse_oldsyntax code in + let unexpanded = WebSharper.Json.Encode pr.unexpanded in + let foo: Map<(string * int), Set>> option = None + let settings = WebSharper.Json.Encode pr.settings in + { bundle = pr.bundle ; settings = settings ; unexpanded = unexpanded } + +let user_compile_oldsyntax (code:ParseObject) : obj = + let code:ParseObject = WebSharper.Json.Decode code in + let gui = JSAPI.user_compile_oldsyntax code in + let ret = WebSharper.Json.Encode gui in + ret + +(*let convert_bundle_after_jit (bundle:bundle) (jit:Microsoft.Research.CRNEngine.JSAPI.jit) : obj = + let gui = JSAPI.convert_bundle_after_jit bundle jit in + let ret = WebSharper.Json.Encode gui in + ret*) + +let is_jit (bundle:bundle) : bool = JSAPI.is_jit bundle + +(*let jit_ctmc (bundle:bundle) (gui:obj) : obj = + let gui = JSONAPI.decodeGui gui + let ret = JSAPI.jit_ctmc bundle gui + let ret = WebSharper.Json.Encode ret + ret*) + +// We're handling this by False +// We may get a fuller solution at some point: https://github.com/intellifactory/websharper/issues/683 + +(*[] +let Main () = + //Compel WebSharper to export these. + //Had to start doing this in the 4.x branch + + Microsoft.Research.CRNEngine.JSONAPI.Main() |> ignore + + user_parse |> ignore + user_expand |> ignore + user_compile |> ignore + + user_parse_oldsyntax |> ignore + user_compile_oldsyntax |> ignore + + printfn("Starting ClassicDSD fake Entry Point..")*) diff --git a/ClassicDSD/ClassicDSDJS/paket.references b/ClassicDSD/ClassicDSDJS/paket.references new file mode 100644 index 0000000..771a880 --- /dev/null +++ b/ClassicDSD/ClassicDSDJS/paket.references @@ -0,0 +1,4 @@ +group NETSTANDARD + +FSharp.Core +WebSharper.FSharp diff --git a/ClassicDSD/ClassicDSDJS/wsconfig.json b/ClassicDSD/ClassicDSDJS/wsconfig.json new file mode 100644 index 0000000..ec083b6 --- /dev/null +++ b/ClassicDSD/ClassicDSDJS/wsconfig.json @@ -0,0 +1,5 @@ +{ + "project": "bundle", + "outputDir": "Content", + "javascriptExport": ["Microsoft.Research.CRNEngine.JSONAPI"] +} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDRunAllExamples/ClassicDSDRunAllExamples.fsproj b/ClassicDSD/ClassicDSDRunAllExamples/ClassicDSDRunAllExamples.fsproj new file mode 100644 index 0000000..fd73cfb --- /dev/null +++ b/ClassicDSD/ClassicDSDRunAllExamples/ClassicDSDRunAllExamples.fsproj @@ -0,0 +1,29 @@ + + + + netcoreapp3.1 + Exe + x64 + x64 + + + + + + + + + + + + + + ..\..\Lib\Oslo.FSharp\Oslo.FSharp.dll + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDRunAllExamples/Program.fs b/ClassicDSD/ClassicDSDRunAllExamples/Program.fs new file mode 100644 index 0000000..401a70f --- /dev/null +++ b/ClassicDSD/ClassicDSDRunAllExamples/Program.fs @@ -0,0 +1,43 @@ +module Microsoft.Research.CRNEngine.RunAllExamples.Program +open Microsoft.Research.CRNEngine +open Microsoft.Research.CliLibrary.Testing +open Microsoft.Research.DNA + +let parser (code:string) : Microsoft.Research.CRNEngine.InferenceSiteGraph.IGraph = + let code = if code.Contains "old_syntax" then SLConversion.convertSL code else code + let (bundle,task) = Dsd.parse_extended Microsoft.Research.DNA.DefaultDatabase.toeholds Microsoft.Research.DNA.DefaultDatabase.specificities code + let converted = Dsd.convert_expand bundle + { task = task + ; nodes = Map.ofList ["DSDmodel", {top=converted;systems=[]}] + ; edges = Map.empty + ; expanded = false } + +let getExternalSimulation (code:string) : (unit->Table list) option = + let code = if code.Contains "old_syntax" then SLConversion.convertSL code else code + let (bundle,task) = Dsd.parse_extended Microsoft.Research.DNA.DefaultDatabase.toeholds Microsoft.Research.DNA.DefaultDatabase.specificities code + if Dsd.is_jit bundle then + let f () = + match bundle with + | Dsd.bundle.ClassicDSD bundle -> + // Make sure the seed is set. + let bundle = if bundle.settings.simulation.seed.IsSome then bundle else { bundle with settings = { bundle.settings with simulation = { bundle.settings.simulation with seed = Some 0 }}} + let bundle = Dsd.bundle.ClassicDSD bundle + let jit = JSAPI.get_jit_classic bundle + let (_,table) = Jit.simulate jit.jit jit.calculus + [table] + | Dsd.bundle.Rules bundle -> + // Make sure the seed is set. + let bundle = if bundle.settings.simulation.seed.IsSome then bundle else { bundle with settings = { bundle.settings with simulation = { bundle.settings.simulation with seed = Some 0 }}} + let bundle = Dsd.bundle.Rules bundle + let jit = JSAPI.get_jit_rules bundle + let (_,table) = Jit.simulate jit.jit jit.calculus + [table] + Some f + else + None + +[] +let main(args) = + System.Threading.Thread.CurrentThread.CurrentCulture <- System.Globalization.CultureInfo.InvariantCulture + System.Threading.Thread.CurrentThread.CurrentUICulture <- System.Globalization.CultureInfo.InvariantCulture + testValidate getExternalSimulation parser args \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDRunAllExamples/paket.references b/ClassicDSD/ClassicDSDRunAllExamples/paket.references new file mode 100644 index 0000000..e382998 --- /dev/null +++ b/ClassicDSD/ClassicDSDRunAllExamples/paket.references @@ -0,0 +1,4 @@ +group DOTNETCORE + +argu +FSharp.Core \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer.sln b/ClassicDSD/ClassicDSDServer.sln new file mode 100644 index 0000000..3024eb7 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer.sln @@ -0,0 +1,195 @@ + +Microsoft Visual Studio Solution File, Format Version 12.00 +# Visual Studio Version 16 +VisualStudioVersion = 16.0.29503.13 +MinimumVisualStudioVersion = 10.0.40219.1 +Project("{6EC3EE1D-3C4E-46DD-8F32-0CC8E7565705}") = "ClassicDSDServer", "ClassicDSDServer\ClassicDSDServer.fsproj", "{F2BE13C3-068B-46F5-8079-A911EB872852}" + ProjectSection(ProjectDependencies) = postProject + {866880DC-BF1E-4C12-8238-72E7EFF44AFB} = {866880DC-BF1E-4C12-8238-72E7EFF44AFB} + EndProjectSection +EndProject +Project("{6EC3EE1D-3C4E-46DD-8F32-0CC8E7565705}") = "ClassicDSDDotNet", "ClassicDSDDotNet\ClassicDSDDotNet.fsproj", "{2A76AA39-6B92-4CDF-8548-A7E9C1833373}" +EndProject +Project("{8BC9CEB8-8B4A-11D0-8D11-00A0C91BC942}") = "SundialsSolver15", "..\SundialsSolver\SundialsSolver15\SundialsSolver15.vcxproj", "{866880DC-BF1E-4C12-8238-72E7EFF44AFB}" +EndProject +Project("{6EC3EE1D-3C4E-46DD-8F32-0CC8E7565705}") = "ReactionDiffusion", "..\PDESolvers\ReactionDiffusion\ReactionDiffusion.fsproj", "{529BEDB7-C73A-4A77-BFD9-1628D75C321B}" +EndProject +Project("{6EC3EE1D-3C4E-46DD-8F32-0CC8E7565705}") = "Filzbach.FSharp.Portable", "..\Filzbach.FSharp\Filzbach.FSharp.Portable.fsproj", "{2849368F-AC32-4D1E-B6D6-9C52261A5F2D}" +EndProject +Project("{6EC3EE1D-3C4E-46DD-8F32-0CC8E7565705}") = "CRNEngineDotNet", "..\CRNEngine\CRNEngineDotNet\CRNEngineDotNet.fsproj", "{AE45211A-A65D-4827-A1F9-07A20EB0F154}" +EndProject +Project("{6EC3EE1D-3C4E-46DD-8F32-0CC8E7565705}") = "ParserCombinators", "..\ParserCombinators\ParserCombinators\ParserCombinators.fsproj", "{DD8FEC26-6D1D-4642-A706-04070B6D5494}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "ClassicDSDHTML5", "ClassicDSDHTML5\ClassicDSDHTML5.csproj", "{F748FB2C-C6EC-446B-BC12-559EE16368DE}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "ClassicDSDTSWrapper", "ClassicDSDTSWrapper\ClassicDSDTSWrapper.csproj", "{E173BAFA-92AD-49E1-9408-07F4031B5E98}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "CodeEditor", "..\HTML5SharedGUI\CodeEditor\CodeEditor.csproj", "{B234C1D7-96F4-40A2-A323-3B18646BF95C}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "CRNComponent", "..\HTML5SharedGUI\CRNComponent\CRNComponent.csproj", "{6DF7A0C1-2048-4A51-8599-E1C0B958A5E2}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "CRNEngineTSWrapper", "..\CRNEngine\CRNEngineTSWrapper\CRNEngineTSWrapper.csproj", "{FB1F1936-AC22-41B4-AF2F-E20A486E3416}" +EndProject +Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "HTML5DSD_Generic", "..\HTML5SharedGUI\HTML5DSD_Generic\HTML5DSD_Generic.csproj", 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Debug|Any CPU + {04B49866-5D5F-44DA-801D-69276362230F}.Release|x64.ActiveCfg = Release|Any CPU + {04B49866-5D5F-44DA-801D-69276362230F}.Release|x64.Build.0 = Release|Any CPU + EndGlobalSection + GlobalSection(SolutionProperties) = preSolution + HideSolutionNode = FALSE + EndGlobalSection + GlobalSection(ExtensibilityGlobals) = postSolution + SolutionGuid = {FA55AA04-D857-4693-8068-56B22088088C} + EndGlobalSection +EndGlobal diff --git a/ClassicDSD/ClassicDSDServer/App.config b/ClassicDSD/ClassicDSDServer/App.config new file mode 100644 index 0000000..f3a1ca2 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/App.config @@ -0,0 +1,361 @@ + + + + + + + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/AssemblyInfo.fs b/ClassicDSD/ClassicDSDServer/AssemblyInfo.fs new file mode 100644 index 0000000..9e2be24 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/AssemblyInfo.fs @@ -0,0 +1,41 @@ +namespace ClassicDSDServer.AssemblyInfo + +open System.Reflection +open System.Runtime.CompilerServices +open System.Runtime.InteropServices + +// General Information about an assembly is controlled through the following +// set of attributes. Change these attribute values to modify the information +// associated with an assembly. +[] +[] +[] +[] +[] +[] +[] +[] + +// Setting ComVisible to false makes the types in this assembly not visible +// to COM components. If you need to access a type in this assembly from +// COM, set the ComVisible attribute to true on that type. +[] + +// The following GUID is for the ID of the typelib if this project is exposed to COM +[] + +// Version information for an assembly consists of the following four values: +// +// Major Version +// Minor Version +// Build Number +// Revision +// +// You can specify all the values or you can default the Build and Revision Numbers +// by using the '*' as shown below: +// [] +[] +[] + +do + () \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/BuildSettings.fs b/ClassicDSD/ClassicDSDServer/BuildSettings.fs new file mode 100644 index 0000000..feaeb5e --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/BuildSettings.fs @@ -0,0 +1,5 @@ +module ClassicDSDServer.BuildSettings + +let homeFolder = "ClassicDSDHTML5" +let jobsFolder = "CRNJobsManager" +let port = 8084 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/ClassicDSDServer.fsproj b/ClassicDSD/ClassicDSDServer/ClassicDSDServer.fsproj new file mode 100644 index 0000000..e10e94b --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/ClassicDSDServer.fsproj @@ -0,0 +1,49 @@ + + + + netcoreapp3.1 + Exe + True + x64 + x64 + + + + + + + + + + + + + PreserveNewest + + + + + + + + + + + ..\..\Lib\Oslo.FSharp\Oslo.FSharp.dll + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/DSD.fs b/ClassicDSD/ClassicDSDServer/DSD.fs new file mode 100644 index 0000000..4979763 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/DSD.fs @@ -0,0 +1,98 @@ +module Microsoft.Research.ClassicDSDServer.DSD + +open System.Net.WebSockets +open Messages +open Microsoft.Research.CRNEngine +open Microsoft.Research.CRNEngine.JSAPI +open Microsoft.Research +open Microsoft.Research.CRNEngineServerLib.Serialisation +open Microsoft.Research.CRNEngineServerLib.Messages +open Microsoft.Research.DNA + +let mutable currentCode:DNA.JSAPI.ParseObject option = None +let mutable currentResult:DNA.JSAPI.ParseResult option = None + +let runParseAndCache code oldSyntax = + currentCode <- None + currentResult <- None + currentResult <- (if oldSyntax then DNA.JSAPI.user_parse_oldsyntax else DNA.JSAPI.user_parse) code |> Some + currentCode <- Some code + currentResult.Value + +let processCompileDSDRequest code oldSyntax (webSocket:WebSocket) = + let sendObject o = sendObject webSocket o + try + let result = runParseAndCache code oldSyntax + let isJIT = DNA.JSAPI.is_jit result.bundle + let ig = if isJIT then result.unexpanded else { task = result.unexpanded.task; nodes = Map.empty |> Map.add "" (DNA.JSAPI.user_expand result.bundle); edges = Map.empty; expanded = false } + let ecode = JSAPI.user_get_export ig "" "code" + let code = match ecode.content with Some [|code|] -> code | _ -> failwith "" + let options = Dsd.get_options result.bundle + sendObject { Response_IsJIT.mtype = "dsd.isjit" + Response_IsJIT.isJIT = false } + sendObject { Response_ParseResult.mtype = "dsd.parseresult" + Response_ParseResult.result = { model = ig; settings = options; code = code } } + with e -> match e with + | :? Parser.Exception as e -> sendObject { mtype = "error" + error = { message = e.Message; positions = Some e.Errors } } + | _ -> sendObject { mtype = "error" + error = { message = e.Message; positions = None } } + +let isCurrent (code:DNA.JSAPI.ParseObject) = currentCode.IsSome && code.code = currentCode.Value.code && code.specificities = currentCode.Value.specificities && code.toeholds = currentCode.Value.toeholds + +let processExpandDSDRequest code oldSyntax (userIG:GuiIG) (options:Options.t) (webSocket:WebSocket) = + let sendObject o = sendObject webSocket o + try + let currResult = if isCurrent code = false || currentResult.IsNone then runParseAndCache code oldSyntax else currentResult.Value + // Replace the DSD settings with the ones provided by the front-end, except for the rules program. + let settings = { options with rulesProgram = currResult.settings.rulesProgram } + let result = { currResult with bundle = Dsd.set_options currResult.bundle settings; settings = settings } + currentResult <- Some result + let isJIT = DNA.JSAPI.is_jit result.bundle + let ig = if isJIT then result.unexpanded else { task = userIG.task; nodes = Map.empty |> Map.add "" (DNA.JSAPI.user_expand result.bundle); edges = Map.empty ; expanded = false} + let model = ig.nodes |> Map.toSeq |> Seq.head |> snd + // Replace the settings with the ones from the original model. This won't work with multi-CRN models. + // If the user-modified plots are unmodified or empty, then I should use the plots from the result. Otherwise, I should use the user-modified plots. + let userModel = userIG.nodes |> Map.toSeq |> Seq.head |> snd + let unexpandedModel = result.unexpanded.nodes |> Map.toSeq |> Seq.head |> snd + let userPlots = userModel.top.settings.simulation.plots + let unexpandedPlots = unexpandedModel.top.settings.simulation.plots + let modified = (userPlots <> unexpandedPlots) && userPlots <> [] + let map_simulations o_sim sim = { o_sim with Simulation_settings.plots = if modified then o_sim.plots else sim.plots } + let model = { model with + top = { model.top with + settings = { userModel.top.settings with + simulation = map_simulations userModel.top.settings.simulation model.top.settings.simulation + simulations = List.mapi (fun (i:int) sim -> map_simulations userModel.top.settings.simulations.[i] sim) model.top.settings.simulations } } } + let ig = { task = userIG.task; nodes = Map.empty |> Map.add "" model; edges = Map.empty; expanded = false } + sendObject { Response_IsJIT.mtype = "dsd.isjit" + Response_IsJIT.isJIT = isJIT } + let ecode = JSAPI.user_get_export ig "" "code" + let code = match ecode.content with Some [|code|] -> code | _ -> failwith "" + let options = Dsd.get_options result.bundle + sendObject { Response_ParseResult.mtype = "dsd.parseresult" + Response_ParseResult.result = { model = ig; settings = options; code = code } } + with e -> match e with + | :? Parser.Exception as e -> sendObject { mtype = "error" + error = { message = e.Message; positions = Some e.Errors } } + | _ -> sendObject { mtype = "error" + error = { message = e.Message; positions = None } } + +let processParseDSDRequest parseObject oldSyntax (webSocket:WebSocket) = + let sendObject o = sendObject webSocket o + try + let result = runParseAndCache parseObject oldSyntax + let ig = result.unexpanded + let model = ig.nodes |> Map.toSeq |> Seq.head |> snd + let options = Dsd.get_options result.bundle + let ecode = JSAPI.user_get_export ig "" "code" + let code = match ecode.content with Some [|code|] -> code | _ -> failwith "" + sendObject { Response_IsJIT.mtype = "dsd.isjit" + Response_IsJIT.isJIT = DNA.JSAPI.is_jit currentResult.Value.bundle } + sendObject { Response_ParseResult.mtype = "dsd.parseresult" + Response_ParseResult.result = { model = ig; settings = options; code = code } } + with e -> match e with + | :? Parser.Exception as e -> sendObject { mtype = "error" + error = { message = e.Message; positions = Some e.Errors } } + | _ -> sendObject { mtype = "error" + error = { message = e.Message; positions = None } } diff --git a/ClassicDSD/ClassicDSDServer/Messages.fs b/ClassicDSD/ClassicDSDServer/Messages.fs new file mode 100644 index 0000000..2f02bc8 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/Messages.fs @@ -0,0 +1,33 @@ +module Microsoft.Research.ClassicDSDServer.Messages + +open Microsoft.Research.CRNEngine +open Microsoft.Research.Filzbach +open Microsoft.Research +open Microsoft.Research.CRNEngine.JSAPI + +type Request_ParseDSD = + { mtype : string + code : DNA.JSAPI.ParseObject + oldSyntax : bool } + +type Request_CompileDSD = + { mtype : string + code : DNA.JSAPI.ParseObject + oldSyntax : bool } + +type Request_ExpandDSD = + { mtype : string + code : DNA.JSAPI.ParseObject + model: GuiIG + settings : Microsoft.Research.DNA.Options.t + oldSyntax : bool } + +type Response_IsJIT = + { mtype : string + isJIT : bool } + +type ParseResult = { model : GuiIG; settings: Microsoft.Research.DNA.Options.t; code : string } + +type Response_ParseResult = + { mtype : string + result : ParseResult } \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/Program.fs b/ClassicDSD/ClassicDSDServer/Program.fs new file mode 100644 index 0000000..f3322d4 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/Program.fs @@ -0,0 +1,60 @@ +module Microsoft.Research.ClassicDSDServer.Program + +open System +open System.Net.WebSockets +open Microsoft.AspNetCore +open Microsoft.AspNetCore.Hosting +open Microsoft.Research.CRNEngineServerLib +open Microsoft.Research.CRNEngineServerLib.Serialisation +open Microsoft.Research.CRNEngineServerLib.Messages +open Microsoft.Research.CRNEngineServerLib.Server +open Microsoft.Research.DNA +open System.Threading +open ClassicDSDServer.BuildSettings + +let processRequest (webSocket:WebSocket) (mtype:string) (json:string) (cancel:bool ref) = + try + let isJIT _ = match DSD.currentResult with None -> false | Some result -> JSAPI.is_jit result.bundle + let getJITclassic _ _ = let result = match DSD.currentResult with None -> failwith "" | Some result -> result in JSAPI.get_jit_classic result.bundle + let getJITforSSclassic _ = let result = match DSD.currentResult with None -> failwith "" | Some result -> result in JSAPI.get_jit_classic result.bundle + let getJITrules _ _ = let result = match DSD.currentResult with None -> failwith "" | Some result -> result in JSAPI.get_jit_rules result.bundle + let getJITforSSrules _ = let result = match DSD.currentResult with None -> failwith "" | Some result -> result in JSAPI.get_jit_rules result.bundle + + //TODO: switch to codegen of interface rather than relying on strings + match mtype with + | "simulategui" -> + let simulategui = WebSharper.Json.Deserialize json + match DSD.currentResult with + | None -> + Simulation.runSimulateGui (fun _ -> false) (fun _ _ -> failwith "") simulategui.model simulategui.nodeId simulategui.pool webSocket cancel + | Some result -> + if JSAPI.is_classic result.bundle then + Simulation.runSimulateGui isJIT getJITclassic simulategui.model simulategui.nodeId simulategui.pool webSocket cancel + else + Simulation.runSimulateGui isJIT getJITrules simulategui.model simulategui.nodeId simulategui.pool webSocket cancel + | "statespace" -> + let stateSpace = WebSharper.Json.Deserialize json + let result = match DSD.currentResult with None -> failwith "" | Some result -> result + if stateSpace.jit then + if JSAPI.is_classic result.bundle then + StateSpace.processStateSpaceRequestJIT getJITforSSclassic stateSpace.model webSocket + else + StateSpace.processStateSpaceRequestJIT getJITforSSrules stateSpace.model webSocket + else + StateSpace.processStateSpaceRequest stateSpace.model webSocket + | "dsd.compile" -> + let compileDsd = WebSharper.Json.Deserialize json + DSD.processCompileDSDRequest compileDsd.code compileDsd.oldSyntax webSocket + | "dsd.parse" -> + let parseDsd = WebSharper.Json.Deserialize json + DSD.processParseDSDRequest parseDsd.code parseDsd.oldSyntax webSocket + | "dsd.expand" -> + let expandDsd = WebSharper.Json.Deserialize json + DSD.processExpandDSDRequest expandDsd.code expandDsd.oldSyntax expandDsd.model expandDsd.settings webSocket + | _ -> defaultProcessRequest webSocket mtype json cancel + with e -> sendObject webSocket { mtype = "error"; error = { message = e.Message; positions = None } } + +[] +let main argv = + Server.main processRequest homeFolder jobsFolder port + 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/build.fsx b/ClassicDSD/ClassicDSDServer/build.fsx new file mode 100644 index 0000000..0991e0d --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/build.fsx @@ -0,0 +1,33 @@ +#r "paket: groupref Build //" +#load ".fake/build.fsx/intellisense.fsx" +open Fake.Core +open Fake.DotNet +open Fake.IO +open Fake.IO.FileSystemOperators +open Fake.IO.Globbing.Operators +open BlackFox.Fake + +#load "../../Builds/Builds/PublishHelper.fs" +open PublishHelper +#load "../ClassicDSDServer/BuildSettings.fs" + +let copyRequiredFilestoOutput projectDir outDir configuration = + copySundials projectDir outDir configuration + copyWebStuff projectDir outDir ClassicDSDServer.BuildSettings.homeFolder + copyJobStuff projectDir outDir ClassicDSDServer.BuildSettings.jobsFolder + +let build = BuildTask.createFn "Build" [] (fun args -> + let settings = parseSettings args.Context.Arguments + copyRequiredFilestoOutput settings.["ProjectDir"] settings.["OutDir"] settings.["Configuration"] +) + +//Example: +//dotnet fake build --target Publish ProjectDir="E:\dev\biocomputing\ClassicDSD\ClassicDSDServer\" PublishDir="bin\Debug\netcoreapp3.0\publish\" Configuration=Debug +let publish = BuildTask.createFn "Publish" [] (fun args -> + let settings = parseSettings args.Context.Arguments + copyRequiredFilestoOutput settings.["ProjectDir"] settings.["PublishDir"] settings.["Configuration"] +) + +let nothing = BuildTask.createEmpty "Nothing" [] + +BuildTask.runOrDefaultWithArguments nothing \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/hosting/index.html b/ClassicDSD/ClassicDSDServer/hosting/index.html new file mode 100644 index 0000000..458e8b2 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/hosting/index.html @@ -0,0 +1,26 @@ + + + + +

Install instructions

+
    +
  1. Install .net for your platform + + +
  2. Unzip the release
  3. +
  4. Run on terminal +
      Windows: ClassicDSDServer.exe
    +
      On macOS or Linux: mono ClassicDSDServer.exe
    +
  5. +
+

Versions:

+ClassicDSDServer_2019-03-08.zip
+ClassicDSDServer_2018-10-19.zip
+ClassicDSDServer_2018-03-16.zip
+ClassicDSDServer_2018-02-28.zip
+ClassicDSDServer_2017-12-14.zip
+ + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/hosting/readme.txt b/ClassicDSD/ClassicDSDServer/hosting/readme.txt new file mode 100644 index 0000000..eed1523 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/hosting/readme.txt @@ -0,0 +1,4 @@ +Used in deployment + +More details: +https://dev.azure.com/msrcambridge/biocomputing/_wiki/wikis/biocomputing.wiki?wikiVersion=GBwikiMaster&pagePath=%2FDeploying%20tools \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/index.html b/ClassicDSD/ClassicDSDServer/index.html new file mode 100644 index 0000000..73a6ad3 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/index.html @@ -0,0 +1 @@ +HELLO DSD \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDServer/paket.references b/ClassicDSD/ClassicDSDServer/paket.references new file mode 100644 index 0000000..8e13cf1 --- /dev/null +++ b/ClassicDSD/ClassicDSDServer/paket.references @@ -0,0 +1,9 @@ +group DOTNETCORE + +Giraffe +Microsoft.AspNetCore +Microsoft.AspNetCore.StaticFiles +Microsoft.AspNetCore.WebSockets +Microsoft.AspNetCore.WebSockets.Server +FSharp.Core +WebSharper.Core \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/.gitignore b/ClassicDSD/ClassicDSDTSWrapper/.gitignore new file mode 100644 index 0000000..a78133d --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/.gitignore @@ -0,0 +1,14 @@ +Content +Samples/**/*.d.ts +Samples/**/*.js +Samples/**/*.js.map +Scripts/*.d.ts +!Scripts/declarations.d.ts +Scripts/*.js +Scripts/*.wasm +Scripts/*.js.map + +#Residual files from before webpack +Scripts/src +Scripts/ClassicDSD +Scripts/CRNEngine \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/ClassicDSDTSWrapper.csproj b/ClassicDSD/ClassicDSDTSWrapper/ClassicDSDTSWrapper.csproj new file mode 100644 index 0000000..2cdbeba --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/ClassicDSDTSWrapper.csproj @@ -0,0 +1,28 @@ + + + + netcoreapp3.1 + true + + Library + --mutex file install + $([System.IO.Path]::GetFullPath('$(MSBuildThisFileDirectory)..\..\packages\javascriptbuild\Node.js.redist\tools\win-x64\node.exe')) + + + Always + + + + + false + + + + + rem this ensures that a file exists in the place where webpack expects it, in cases where we do not run W#. + if not exist $(MSBuildProjectDirectory)\..\ClassicDSDJS\Content\ClassicDSDJS.js copy /Y $(MSBuildProjectDirectory)\..\ClassicDSDJS\Content\placeholder.js $(MSBuildProjectDirectory)\..\ClassicDSDJS\Content\ClassicDSDJS.js + if not exist $(MSBuildProjectDirectory)\..\ClassicDSDJS\Content\ClassicDSDJS.min.js copy /Y $(MSBuildProjectDirectory)\..\ClassicDSDJS\Content\placeholder.js $(MSBuildProjectDirectory)\..\ClassicDSDJS\Content\ClassicDSDJS.min.js + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/Scripts/ClassicDSD.ts b/ClassicDSD/ClassicDSDTSWrapper/Scripts/ClassicDSD.ts new file mode 100644 index 0000000..034878c --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/Scripts/ClassicDSD.ts @@ -0,0 +1,76 @@ +import "jquery"; +import * as Rx from 'rx'; +import * as InternalInterfaces from '../../../CRNEngine/CRNEngineTSWrapper/Scripts/InternalInterfaces'; +import * as CRNInterfaces from '../../../CRNEngine/CRNEngineTSWrapper/Scripts/Interfaces'; +import * as Interfaces from './Interfaces'; +import CRNEngine from '../../../CRNEngine/CRNEngineTSWrapper/Scripts/CRNEngine'; +import DefaultDatabase from './DefaultDatabase'; +import ClassicDSDWorker from "worker-loader?filename=./ClassicDSD.worker.[hash].js!./ClassicDSD.worker.js"; +import { WebSharperGeneratedInterfaces } from "./WebSharperGeneratedInterfaces"; +import * as CRN from "../../../CRNEngine/CRNEngineTSWrapper/Scripts/Interfaces"; + +/** Provides asynchronous access to DSD F# methods. */ +class ClassicDSD extends CRNEngine { + constructor(server: boolean) { + super(server, ClassicDSDWorker); + } + + private DoDSDRequestResponse(task: Interfaces.WorkerRequest) { + return this.DoRequestResponse(task); + } + + private currentBundleIsJIT = false; + + protected isJIT(model: CRNInterfaces.Model) { + return this.currentBundleIsJIT; + } + + private ToParseCodeObservables(messages: Rx.Observable): Interfaces.ParseDSDObservables { + var that = this; + // The first message will tell whether this is a JIT model. + messages.take(1).subscribe(r => that.currentBundleIsJIT = (r).isJIT, error => { }, () => { }); + // Don't need to return it. + messages = messages.skip(1); + var ret = { + result: messages.where(v => v.mtype == "dsd.parseresult").select(v => (v).result), + }; + return ret; + } + + private toeholds: string = DefaultDatabase.toeholds; + get Toeholds(): string { return this.toeholds; } + set Toeholds(value: string) { this.toeholds = value; } + + private specificities: string = DefaultDatabase.specificities; + get Specificities(): string { return this.specificities; } + set Specificities(value: string) { this.specificities = value; } + + /** Starts a compile operation. This will result in a fully-expanded CRN. This will always parse the code. */ + UserCompile(code: string, oldSyntax: boolean): Interfaces.ParseDSDObservables { + if (code == null) code = ""; + var parseObject: Interfaces.ParseObject = { code: code, toeholds: this.toeholds, specificities: this.specificities }; + var task: Interfaces.WorkerRequest_Compile = { mtype: "dsd.compile", code: parseObject, oldSyntax: oldSyntax }; + var messages = this.DoDSDRequestResponse(task); + return this.ToParseCodeObservables(messages); + } + + /** Starts a parse operation. This will result in an unexpanded CRN. */ + UserParse(code: string, oldSyntax: boolean): Interfaces.ParseDSDObservables { + if (code == null) code = ""; + var parseObject: Interfaces.ParseObject = { code: code, toeholds: this.toeholds, specificities: this.specificities }; + var task: Interfaces.WorkerRequest_Parse = { mtype: "dsd.parse", code: parseObject, oldSyntax: oldSyntax }; + var messages = this.DoDSDRequestResponse(task); + return this.ToParseCodeObservables(messages); + } + + /** Starts an expand operation. This will result in a fully-expanded CRN. If you call this after a UserParse call on the same code, it will not parse again; instead, it will just expand the previous parse result. */ + UserExpand(code: string, oldSyntax: boolean, model: CRN.IG, options: Interfaces.DsdSettings): Interfaces.ParseDSDObservables { + if (code == null) code = ""; + var parseObject: Interfaces.ParseObject = { code: code, toeholds: this.toeholds, specificities: this.specificities }; + var task: Interfaces.WorkerRequest_Expand = { mtype: "dsd.expand", code: parseObject, model: model, settings: options, oldSyntax: oldSyntax }; + var messages = this.DoDSDRequestResponse(task); + return this.ToParseCodeObservables(messages); + } +} + +export default ClassicDSD \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/Scripts/ClassicDSD.worker.ts b/ClassicDSD/ClassicDSDTSWrapper/Scripts/ClassicDSD.worker.ts new file mode 100644 index 0000000..3031f96 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/Scripts/ClassicDSD.worker.ts @@ -0,0 +1,175 @@ +// Import the generic Worker. Note that here I'm importing it as a regular module, rather than as a web worker constructor (i.e. via worker-loader). +import * as CRNEngineWorker from "../../../CRNEngine/CRNEngineTSWrapper/Scripts/CRNEngine.worker"; +import * as CRNInterfaces from "../../../CRNEngine/CRNEngineTSWrapper/Scripts/Interfaces"; +import { WebSharperGeneratedInterfaces as WGI } from "./WebSharperGeneratedInterfaces"; +import * as Interfaces from "./Interfaces"; + +// Note that DSD has the concept of an unexpanded CRN versus an expanded CRN. "Parse" operations generate an unexpanded CRN, while "Compile" operations generate an expanded CRN. "Expand" operations generate an expanded CRN out of an unexpanded CRN. Because expand operations require data structures that cannot be serialized (a "bundle"), the outside-facing interface is different. A parse operation generates the bundle and the unexpanded CRN. The unexpanded CRN is returned to the user program, while the bundle is stored here in the web worker. The user can request an expansion of the bundle by invoking an expand operation on the same code that was used to generate the bundle. In this case, the provided code is ignored altogether, the bundle is expanded, and the resulting CRN is sent to the user. This allows me to skip the parsing phase. + +// Configure the main worker. +CRNEngineWorker.config.loader = () => { + var classicDSDJS = require("raw-loader!./../../ClassicDSDJS/Content/ClassicDSDJS.min.js"); + classicDSDJS = classicDSDJS.replace(/('|")use strict('|");?/, ''); + eval.call(null, classicDSDJS); + user_parse = Microsoft.Research.DNA.JSONAPI.user_parse; + user_parse_oldsyntax = Microsoft.Research.DNA.JSONAPI.user_parse_oldsyntax + user_expand = Microsoft.Research.DNA.JSONAPI.user_expand; + user_compile = Microsoft.Research.DNA.JSONAPI.user_compile; + user_compile_oldsyntax = Microsoft.Research.DNA.JSONAPI.user_compile_oldsyntax + is_jit = Microsoft.Research.DNA.JSAPI.is_jit; + is_classic = Microsoft.Research.DNA.JSAPI.is_classic; + get_jit_classic = Microsoft.Research.DNA.JSAPI.get_jit_classic; + get_jit_rules = Microsoft.Research.DNA.JSAPI.get_jit_rules; + set_options = Microsoft.Research.DNA.JSONAPI.set_options; +} +CRNEngineWorker.config.isJITfunc = isJIT; +CRNEngineWorker.config.getJITfunc = getJIT; +CRNEngineWorker.config.processMessage = processMessageDSD; + +// Declare some shortcuts. +declare var Microsoft: any; +var user_parse: WGI.user_parse; +var user_parse_oldsyntax: WGI.user_parse_oldsyntax; +var user_expand: WGI.user_expand; +var user_compile: WGI.user_compile; +var user_compile_oldsyntax: WGI.user_compile_oldsyntax; +var is_jit: WGI.is_jit; +var is_classic: WGI.is_classic; +var get_jit_classic: WGI.get_jit_classic; +var get_jit_rules: WGI.get_jit_rules; +var set_options: WGI.set_options; + +// The code that generated the currently cached bundle. +var currentCode: Interfaces.ParseObject = null; +// The cached result from the last parse request. Note that the type of the bundle is fully opaque. Only the F# code cares about the contents of the bundle. +var currentResult: WGI.Microsoft.Research.DNA.JSAPI.ParseResult = null; + +function isJIT(model: CRNInterfaces.Model): boolean { + return currentResult == null ? false : is_jit(currentResult.bundle); +} +function getJIT(model: CRNInterfaces.Model, instance: CRNInterfaces.SimulationInstance) { + var jit = is_classic(currentResult.bundle) ? get_jit_classic(currentResult.bundle) : get_jit_rules(currentResult.bundle); + return jit; +} + +function getCrnCode(gui: CRNInterfaces.IG): string { + var exportDef = CRNEngineWorker.user_get_export(gui, "", "code"); + return exportDef.content[0]; +} + +function handleUserCompile(code: Interfaces.ParseObject, oldSyntax: boolean) { + // Invoke compilation on the given code. + var gui: CRNInterfaces.Model = oldSyntax ? user_compile_oldsyntax(code) : user_compile(code); + var ig = { nodes: { "": gui }, edges: {}, expanded: false }; + // Send the JIT flag (false, in this case, because this includes expansion). + self.postMessage({ mtype: "dsd.isjit", isJIT: false }, undefined); + var crnCode: string = getCrnCode(ig); + self.postMessage({ mtype: "dsd.parseresult", result: { crn: gui, settings: currentResult.settings, code: crnCode } }, undefined); +} + +function isCurrent(code: Interfaces.ParseObject): boolean { + return currentCode != null && code.code == currentCode.code && code.specificities == currentCode.specificities && code.toeholds == currentCode.toeholds; +} + +/** Parses code and caches the resulting bundle. Returns the unexpanded CRN. */ +function runParseAndCache(code: Interfaces.ParseObject, oldSyntax: boolean): CRNInterfaces.IG { + // Clear the current cache. I do this at this point in case parsing throws an exception. + currentCode = null; + currentResult = null; + // Run parse; if successful, cache the result. + currentResult = oldSyntax ? user_parse_oldsyntax(code) : user_parse(code); + currentCode = code; + return currentResult.unexpanded; +} + +function handleUserParse(code: Interfaces.ParseObject, oldSyntax: boolean) { + // Parse, caching the bundle. + var model: CRNInterfaces.IG = runParseAndCache(code, oldSyntax); + // Send the JIT flag. + self.postMessage({ mtype: "dsd.isjit", isJIT: is_jit(currentResult.bundle) }, undefined); + let crnCode = getCrnCode(model); + self.postMessage({ mtype: "dsd.parseresult", result: { model: model, settings: currentResult.settings, code: crnCode } }, undefined); +} + +function arraysAreEqual(a: string[], b: string[]): boolean { + if (a.length != b.length) + return false; + for (var i = 0; i < a.length; i++) + if (a[i] != b[i]) + return false; + return true; +} + +function handleUserExpand(code: Interfaces.ParseObject, userIG: CRNInterfaces.IG, options: Interfaces.DsdSettings, oldSyntax: boolean) { + // If the request for expansion is dealing with a different code than the one that generated the currently cached bundle, + // or if no bundle is currently cached, I'll need to run parse at this point. + if (!isCurrent(code) || currentResult == null) + runParseAndCache(code, oldSyntax); + // Replace the DSD settings with the provided DSD settings, except for the rules program. + if (currentResult.settings.rulesProgram !== undefined) + options.rulesProgram = currentResult.settings.rulesProgram; + currentResult = set_options(currentResult, options); + // At this point, I am guaranteed to have the correct bundle. I will run expansion on it. + var ig: CRNInterfaces.IG = is_jit(currentResult.bundle) ? currentResult.unexpanded : { nodes: { "": user_expand(currentResult.bundle) }, edges: {}, expanded: false }; + if (userIG.task != null) + ig.task = userIG.task; + var model: CRNInterfaces.Model = null; + for (var n in ig.nodes) { + model = ig.nodes[n]; + break; + } + // Replace the settings with the ones from the original model. This won't work with multi-CRN models. + // If the user-modified plots are unmodified or empty, then I should use the plots from the result. Otherwise, I should use the user-modified plots. + var userModel: CRNInterfaces.Model = null; + for (var n in userIG.nodes) { + userModel = userIG.nodes[n]; + break; + } + var unexpandedModel: CRNInterfaces.Model = null; + for (var n in currentResult.unexpanded.nodes) { + unexpandedModel = currentResult.unexpanded.nodes[n]; + break; + } + var userPlots = userModel.top.settings.simulation.plots; + var unexpandedPlots = unexpandedModel.top.settings.simulation.plots; + var modified = !arraysAreEqual(userPlots, unexpandedPlots) && userPlots.length > 0; + if (!modified) { + userModel.top.settings.simulation.plots = model.top.settings.simulation.plots; + for (let i in userModel.top.settings.simulations) + userModel.top.settings.simulations[i].plots = model.top.settings.simulations[i].plots; + } + model.top.settings = userModel.top.settings; + // Send the JIT flag. + self.postMessage({ mtype: "dsd.isjit", isJIT: is_jit(currentResult.bundle) }, undefined); + let crnCode = getCrnCode(ig); + self.postMessage({ mtype: "dsd.parseresult", result: { model: ig, settings: currentResult.settings, code: crnCode } }, undefined); + // Note that at this point I still have the original bundle. If, for whatever reason, the user wants to run expansion again, I will not need to run parse again. +} + +/** Processes a task coming from the main thread. Calculus-specific tasks will be handled here, CRN generic tasks will be passed +to the processMessage function in CRNEngine/Worker. */ +function processMessageDSD(e: any) { + var req = e.data; + console.log("worker request: " + req.mtype); + try { + switch (req.mtype) { + case "dsd.compile": + handleUserCompile((req).code, (req).oldSyntax); + break; + case "dsd.parse": + handleUserParse((req).code, (req).oldSyntax); + break; + case "dsd.expand": + handleUserExpand((req).code, (req).model, (req).settings, (req).oldSyntax); + break; + default: + // Let the generic worker handle this. Note that it will also send the finished signal, so I don't need to. + CRNEngineWorker.processMessage(e); + return; + } + CRNEngineWorker.sendFinished(); + } + catch (exc) { + CRNEngineWorker.handleException(exc); + } +}; \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/Scripts/DefaultDatabase.ts b/ClassicDSD/ClassicDSDTSWrapper/Scripts/DefaultDatabase.ts new file mode 100644 index 0000000..f4ae412 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/Scripts/DefaultDatabase.ts @@ -0,0 +1,69 @@ +var database = { + toeholds: "TATTCC\r\n" + + "GCTA\r\n" + + "GTCA\r\n" + + "TACCAA\r\n" + + "CATCG\r\n" + + "ACTACAC\r\n" + + "CTCAG\r\n" + + "CTCAATC\r\n" + + "CCTACG\r\n" + + "TCTCCA\r\n" + + "CCCT\r\n" + + "GACA\r\n" + + "ACCT\r\n" + + "TAGCCA\r\n" + + "CACACA\r\n" + + "AGAC\r\n", + specificities: "CCCAAAACAAAACAAAACAA\r\n" + + "CCCTTTTCTAAACTAAACAA\r\n" + + "CCCTTTACATTACATAACAA\r\n" + + "CCCTTATCATATCAATACAA\r\n" + + "CCCTTAACTTAACAAATCTA\r\n" + + "CCCTATTCAATTCAAATCAA\r\n" + + "CCCTATACTATACAATACTA\r\n" + + "CCCTAATCTAATCATAACTA\r\n" + + "CCCTAAACTTATCTAAACAT\r\n" + + "CCCATTTCAAATCAAAACTT\r\n" + + "CCCATTACTAATCAATTCAA\r\n" + + "CCCATATCTATACATTACAA\r\n" + + "CCCATAACTATTCTAAACTA\r\n" + + "CCCAATTCTTAACATATCAA\r\n" + + "CCCAATACTATTCATAACAT\r\n" + + "CCCAAATCTTAACTATACTA\r\n" + + "CCTATACCTTAACTTAACAA\r\n" + + "CCATATCCATAACTTTACAA\r\n" + + "CCATAACCTATACTTATCAA\r\n" + + "CCATTTCCTTTTCTTAACTA\r\n" + + "CCATTACCATATCTTATCAT\r\n" + + "CCAAAACCATAACATAACTT\r\n" + + "CCAATTCCAAAACTTATCTA\r\n" + + "CCAATACCATTACTATTCAA\r\n" + + "CCTTAACCTTTACTTTACTT\r\n" + + "CCTTTTCCTAATCTTTACAT\r\n" + + "CCTTTACCAAAACATTTCAA\r\n" + + "CCTAATCCTTATCATTACTA\r\n" + + "CCTATTCCTTTACAAATCAT\r\n" + + "CCAAAACAAAACCTATACAA\r\n" + + "CCTTTACATAACCTAATCAA\r\n" + + "CCTTATCTAAACCAATACAT\r\n" + + "CCTTATCAATACCTATTCTA\r\n" + + "CCTTAACAAATCCAAAACTA\r\n" + + "CCTATTCAAATCCTTTTCAA\r\n" + + "CCTATACAATACCATTACAT\r\n" + + "CCTAAACTTATCCTATTCAT\r\n" + + "CCTAAACATTACCTAAACTT\r\n" + + "CCATTACTTAACCTTTACTA\r\n" + + "CCATAACAATTCCAATTCAT\r\n" + + "CCAATTCATAACCAAAACAT\r\n" + + "CCAATACTAATCCAATACTT\r\n" + + "CCAAATCTTAACCAATTCTA\r\n" + + "CCAAATCAATTCCTTAACAT\r\n" + + "CCATATCAAAACAAAACCAA\r\n" + + "CCTATACTAAACTAAACCAA\r\n" + + "CCTAATCTTTACATAACCAA\r\n" + + "CCTAATCATATCTATACCAA\r\n" + + "CCTTTTCTTATCAAATCCAA\r\n" + + "CCTTTTCATTACAATACCTA\r\n" +} +export default database \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/Scripts/GenerateInterfaces.bat b/ClassicDSD/ClassicDSDTSWrapper/Scripts/GenerateInterfaces.bat new file mode 100644 index 0000000..c6540cb --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/Scripts/GenerateInterfaces.bat @@ -0,0 +1 @@ +.\..\..\..\packages\javascriptbuild\TypesTSFS\tools\TypesTSFS.exe --style websharper --projectfilepath "../../ClassicDSDJS/ClassicDSDJS.fsproj" --outputpath "./WebSharperGeneratedInterfaces.ts" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/Scripts/Interfaces.ts b/ClassicDSD/ClassicDSDTSWrapper/Scripts/Interfaces.ts new file mode 100644 index 0000000..c8e3b70 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/Scripts/Interfaces.ts @@ -0,0 +1,22 @@ +import * as CRN from '../../../CRNEngine/CRNEngineTSWrapper/Scripts/InternalInterfaces'; +import * as Interfaces from '../../../CRNEngine/CRNEngineTSWrapper/Scripts/Interfaces'; +import { WebSharperGeneratedInterfaces as WGI } from "./WebSharperGeneratedInterfaces"; + +export type DsdSettings = WGI.Microsoft.Research.DNA.Options.t; +export type ParseResult = { model: Interfaces.IG, settings: DsdSettings, code: string } + +export type ParseDSDObservables = { result: Rx.Observable } + +export type ParseObject = WGI.Microsoft.Research.DNA.JSAPI.ParseObject; + + +export type WorkerRequest_Compile = { mtype: "dsd.compile", code: ParseObject, oldSyntax: boolean } +export type WorkerRequest_Parse = { mtype: "dsd.parse", code: ParseObject, oldSyntax: boolean } +export type WorkerRequest_Expand = { mtype: "dsd.expand", code: ParseObject, model: Interfaces.IG, settings: DsdSettings, oldSyntax: boolean } + +export type WorkerRequest = WorkerRequest_Compile | WorkerRequest_Parse | WorkerRequest_Expand | CRN.WorkerRequest; + +export type WorkerResponse_IsJIT = { mtype: "dsd.isjit", isJIT: boolean } +export type WorkerResponse_ParseResult = { mtype: "dsd.parseresult", result: ParseResult } + +export type WorkerResponse = WorkerResponse_IsJIT | WorkerResponse_ParseResult | CRN.WorkerResponse; \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/Scripts/WebSharperGeneratedInterfaces.ts b/ClassicDSD/ClassicDSDTSWrapper/Scripts/WebSharperGeneratedInterfaces.ts new file mode 100644 index 0000000..1261070 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/Scripts/WebSharperGeneratedInterfaces.ts @@ -0,0 +1,732 @@ +//These interfaces are code generated from F#, any changes to this file will be lost. +export namespace WebSharperGeneratedInterfaces { + + export namespace Microsoft.Research.CRNEngine { + export interface Assignment { + variables: Array; + values: Array>>; + } + export interface Attributes { + name: string; + structure: string; + svg: string; + } + export interface Calculus { + react: (p0: Array) => (p0: s) => Array, Microsoft.Research.CRNEngine.Expression.t>>>; + } + export interface Column { + name: string; + values: Array; + } + export interface Crn_settings { + simulation: Microsoft.Research.CRNEngine.Simulation_settings; + simulations: Array>; + stochastic: Microsoft.Research.CRNEngine.Stochastic_settings; + deterministic: Microsoft.Research.CRNEngine.Deterministic_settings; + spatial: Microsoft.Research.CRNEngine.Spatial_settings; + inference: Microsoft.Research.CRNEngine.Inference_settings; + moment_closure: Microsoft.Research.CRNEngine.Moment_closure_settings.t>>; + synthesis: Microsoft.Research.CRNEngine.Synthesis_settings; + data: Array; + units: Microsoft.Research.CRNEngine.Units; + simulator: Microsoft.Research.CRNEngine.Simulator; + parameters: Array; + sweeps: Array; + rates: { [key: string]: e }; + plot: Microsoft.Research.CRNEngine.Plot_settings; + } + export interface Dataset { + file: string; + data: Array>; + } + export interface Deterministic_settings { + stiff: boolean; + abstolerance: number; + reltolerance: number; + } + export interface Event { + time: time; + target: Microsoft.Research.CRNEngine.Target; + } + export interface Gui { + name: string; + settings: Microsoft.Research.CRNEngine.Crn_settings; + reactions: Array>; + initials: Array>; + attributes: { [key: string]: Microsoft.Research.CRNEngine.Attributes }; + } + export interface GuiIG { + task?: Microsoft.Research.CRNEngine.Task; + nodes: { [key: string]: Microsoft.Research.CRNEngine.GuiModel }; + edges: { [key: string]: Array }; + expanded: boolean; + } + export interface GuiIGEdge { + location: Microsoft.Research.CRNEngine.InferenceSiteGraph.Location; + parameters: Array; + } + export interface GuiIGTargetParameter { + source: string; + target: string; + prior: Microsoft.Research.CRNEngine.InferenceSiteGraph.PriorKind; + } + export interface GuiModel { + top: Microsoft.Research.CRNEngine.Gui; + systems: Array; + } + export interface Inference_settings { + name: string; + burnin: number; + samples: number; + thin: number; + noise_model: Microsoft.Research.CRNEngine.Noise_model; + noise_parameter: Microsoft.Research.CRNEngine.Noise_parameter; + prune: boolean; + seed: number; + seeds: Array; + lowerbound?: number; + timer: boolean; + partial_evaluation: boolean; + print_console: boolean; + print_summary: boolean; + } + export interface Initial { + constant: boolean; + value: v; + species: s; + time?: v; + spatial?: Microsoft.Research.CRNEngine.Spatial_initial.t; + } + export interface LogNormal { + mu: number; + sigma: number; + } + export interface Normal { + mean: number; + stdev: number; + } + export interface Parameter { + name: string; + value: number; + prior?: Microsoft.Research.CRNEngine.Prior; + } + export interface Plot_settings { + x_label: string; + y_label: string; + title: string; + label_font_size: number; + tick_font_size: number; + x_ticks: Array; + y_ticks: Array; + x_min?: number; + x_max?: number; + y_min?: number; + y_max?: number; + v_boundaries: Array; + h_boundaries: Array; + } + export interface Population { + constant: boolean; + value: value; + species: species; + initial: boolean; + input: boolean; + spatial_initial?: Microsoft.Research.CRNEngine.Spatial_initial.t; + max?: number; + } + export interface Populations { + index_to_species: Array>; + species_to_index: Opaque.Dictionary; + } + export interface Prior { + interval: Microsoft.Research.CRNEngine.Interval; + distribution: Microsoft.Research.CRNEngine.Distribution; + variation: Microsoft.Research.CRNEngine.Variation; + } + export interface Reaction { + catalysts: Array>; + reactants: Array>; + reverse?: Microsoft.Research.CRNEngine.Rate; + rate: Microsoft.Research.CRNEngine.Rate; + products: Array>; + } + export interface Row { + time: number; + values: Array; + } + export interface Simulation_settings { + name: string; + initial: number; + final: number; + points: number; + plots: Array; + plotcolours: Array; + seed?: number; + kinetics: Microsoft.Research.CRNEngine.Kinetics; + times: Array; + multicore: boolean; + data: Array; + sweeps: Array; + } + export interface Spatial_settings { + parameters: Array; + diffusibles: Array; + dimensions: number; + boundary: Microsoft.Research.CRNEngine.Boundary; + xmax: number; + nx: number; + dt: number; + default_diffusion: number; + random: number; + } + export interface Stochastic_settings { + scale: number; + steps?: number; + trajectories: number; + stationary_skiptime?: number; + } + export interface Sweep { + name: string; + assignments: Array; + } + export interface Synthesis_settings { + mode: Microsoft.Research.CRNEngine.Synthesis_mode + solver: Microsoft.Research.CRNEngine.Z3Solver + timeout?: number; + } + export interface Table { + times: Array; + columns: Array>; + } + export interface Task { + task_type: Microsoft.Research.CRNEngine.TaskType; + copies: number; + copy_id: number; + nodes: number; + } + export interface Truncated { + mean: number; + stdev: number; + min: number; + max: number; + } + export interface Uniform { + min: number; + max: number; + } + export interface Units { + concentration: Microsoft.Research.CRNEngine.Concentration; + time: Microsoft.Research.CRNEngine.Time; + space: Microsoft.Research.CRNEngine.Space; + } + export type Boundary = "Periodic" | "ZeroFlux" + export const BoundarySelect = ["Periodic", "ZeroFlux"] + export interface Concentration { + Molar: number; + } + export interface Distribution { + Uniform?: Microsoft.Research.CRNEngine.Uniform; + Normal?: Microsoft.Research.CRNEngine.Normal; + LogNormal?: Microsoft.Research.CRNEngine.LogNormal; + TruncatedNormal?: Microsoft.Research.CRNEngine.Truncated; + } + export interface Inlined { + Species?: s; + Time?: string; + } + export type Interval = "Real" | "Log" + export const IntervalSelect = ["Real", "Log"] + export interface Key { + Parameter?: string; + Rate?: string; + Species?: s; + Time?: string; + } + export type Kinetics = "Contextual" | "Stochastic" | "Deterministic" + export const KineticsSelect = ["Contextual", "Stochastic", "Deterministic"] + export type Noise_model = "Constant" | "Proportional" + export const Noise_modelSelect = ["Constant", "Proportional"] + export type Noise_parameter = { Fixed: number } | "Random" | "Multiple" + export interface Rate { + MassAction?: v; + Function?: e; + } + export type Simulator = "Oslo" | "Sundials" | "SSA" | "CME" | "CMESundials" | "LNA" | "PDE" | "MC" + export const SimulatorSelect = ["Oslo", "Sundials", "SSA", "CME", "CMESundials", "LNA", "PDE", "MC"] + export interface Space { + Metres: number; + } + export type Synthesis_mode = "Multistability" | "Turing" + export const Synthesis_modeSelect = ["Multistability", "Turing"] + export interface Target { + Species?: Microsoft.Research.CRNEngine.Populations; + OutputPoint?: string; + } + export type TaskType = "Parse" | "Simulate" | "Infer" + export const TaskTypeSelect = ["Parse", "Simulate", "Infer"] + export type Time = { Seconds: number } + export type Variation = "Random" | "Fixed" | "Initial2" | "Multiple" + export const VariationSelect = ["Random", "Fixed", "Initial2", "Multiple"] + export type Z3Solver = "NLSat" | "Portfolio" + export const Z3SolverSelect = ["NLSat", "Portfolio"] + } + + export namespace RulesDSD.Syntax { + export interface Clause { + head: RulesDSD.Syntax.Predicate; + body: Array; + } + export interface Domain { + name: string; + isComplementary: boolean; + isToehold: boolean; + tag?: RulesDSD.Syntax.Term; + } + export interface Bond { + Bond?: number; + Var?: Opaque.FSharpTuple; + } + export interface DomainT { + Dom?: RulesDSD.Syntax.Domain; + Var?: (Opaque.FSharpTuple | RulesDSD.Syntax.Term | null)[]; + } + export interface Literal { + Pos?: RulesDSD.Syntax.Predicate; + Neg?: RulesDSD.Syntax.Predicate; + } + export interface Pattern { + Nicking?: Array[]; + Inner?: Array; + Strand?: Array; + ThreePrime?: Array; + FivePrime?: Array; + Nihil?: string; + } + export interface Predicate { + Pred: (string | Array)[]; + } + export interface Process { + Proc: Opaque.FSharpMap>; + } + export interface Site { + Unbound?: RulesDSD.Syntax.DomainT; + Bound?: (RulesDSD.Syntax.DomainT | RulesDSD.Syntax.Bond)[]; + } + export interface SiteT { + Site?: RulesDSD.Syntax.Site; + Var?: Opaque.FSharpTuple; + } + export interface Term { + Var?: (number | string)[]; + Const?: string; + Float?: number; + Func?: (string | Array)[]; + TList?: Array; + TCons?: RulesDSD.Syntax.Term[]; + Proc?: RulesDSD.Syntax.Process; + Pat?: RulesDSD.Syntax.Pattern; + } + } + + export namespace System { + + } + + export namespace Microsoft.Research.DNA.Measures { + export interface C { } + export interface kcal { } + export interface mol { } + } + + export namespace Microsoft.Research.DNA.Dsd { + export interface ClassicBundle { + settings: Microsoft.Research.CRNEngine.Crn_settings>>; + meta: Microsoft.Research.DNA.Dsd.metadata; + sreactions: Array, Microsoft.Research.CRNEngine.Expression.t>>>; + initials: Array>>; + dsdOptions: Microsoft.Research.DNA.Options.t; + } + export interface RulesBundle { + settings: Microsoft.Research.CRNEngine.Crn_settings>>; + initials: Array>>; + reactions: Array, Microsoft.Research.CRNEngine.Expression.t>>>; + plotsCache: Opaque.Dictionary; + dsdOptions: Microsoft.Research.DNA.Options.t; + rules: Opaque.Dictionary>; + } + export interface metadata { + meta: Microsoft.Research.DNA.Sequence.mapping; + info: Opaque.FSharpTuple; + domain_colours: { [key: string]: string }; + subdomains: Opaque.Dictionary, Microsoft.Research.DNA.Domain.t>; + } + export interface bundle { + ClassicDSD?: Microsoft.Research.DNA.Dsd.ClassicBundle; + Rules?: Microsoft.Research.DNA.Dsd.RulesBundle; + } + } + + export namespace Microsoft.Research.CRNEngine.Jit { + export interface JitReaction { + id: number; + payload: Microsoft.Research.CRNEngine.Reaction; + reacts: Array; + prods: Array; + prop: number; + } + export interface JitSpecies { + id: number; + payload: s; + population: number; + isExplored: boolean; + isConstant: boolean; + deps: Array; + } + export interface newplottable { + name: string; + structural?: string; + svg?: string; + } + export interface t { + simulation: Microsoft.Research.CRNEngine.Simulation_settings>>; + stochastic: Microsoft.Research.CRNEngine.Stochastic_settings; + rates: { [key: string]: Microsoft.Research.CRNEngine.Expression.t> }; + parameters: Array; + random: Microsoft.Research.CRNEngine.Rng.Random; + sidDict: Opaque.Dictionary; + spDict: Opaque.Dictionary>; + rxDict: Opaque.Dictionary>>>; + plotDict: Opaque.Dictionary>; + mustPlotAll: boolean; + printSpecies: (p0: s) => Microsoft.Research.CRNEngine.Jit.newplottable; + equalsSpecies: (p0: s) => (p0: s) => boolean; + matchesSpecies: (p0: s) => (p0: s) => boolean; + now: number; + stepsDone: number; + nextPrintTime: number; + events: Array>; + totalProp: number; + nextSID: number; + nextRID: number; + dataPoints: Array>; + } + } + + export namespace Microsoft.Research.CRNEngine.InferenceSiteGraph { + export interface Location { + NodeLoc?: string; + SystemLoc?: Opaque.FSharpTuple; + } + export type PriorKind = "Fixed2" | "Normal" | "LogNormal" | "TruncatedNormal" + export const PriorKindSelect = ["Fixed2", "Normal", "LogNormal", "TruncatedNormal"] + } + + export namespace Microsoft.FSharp.Core.CompilerServices { + export interface MeasureInverse { } + export interface MeasureOne { } + export interface MeasureProduct { } + } + + export namespace Microsoft.FSharp.Core { + + } + + export namespace Microsoft.Research.DNA.JSAPI { + export interface ParseObject { + code: string; + toeholds: string; + specificities: string; + } + export interface ParseResult { + bundle: Microsoft.Research.DNA.Dsd.bundle; + settings: Microsoft.Research.DNA.Options.t; + unexpanded: Microsoft.Research.CRNEngine.GuiIG; + } + } + + export namespace Microsoft.Research.CRNEngine.Rng { + export interface Random { + //Next : () => number; + //Next : () => number; + //NextConstrained : () => number; + //NextDouble : () => number; + } + } + + export namespace Microsoft.Research.DNA.Options { + export interface renderer_branches { + rotate_labels: boolean; + arrange: Microsoft.Research.DNA.Options.arrange_mode; + } + export interface rendering { + renderer: Microsoft.Research.DNA.Options.renderer; + branches: Microsoft.Research.DNA.Options.renderer_branches; + classic: Microsoft.Research.DNA.Options.renderer_classic; + } + export interface t { + rules: Microsoft.Research.DNA.Options.semantics; + leaks: boolean; + pin_leaks: boolean; + polymers: boolean; + unproductive: boolean; + sequence_rates: boolean; + temperature: number; + stabilityCorrection: number; + coaxialDangle: number; + doubleCoaxialDangle: number; + terminalDangleFactor: number; + coaxialCorrection: Microsoft.Research.CRNEngine.Expression.t; + declare_domains: boolean; + check_dna: boolean; + colour_toeholds: boolean; + program: string; + toeholds: string; + specificities: string; + plot_names: boolean; + state_images: boolean; + toehold_bind_rate: number; + toehold_unbind_rate: number; + leak_rate_l: Microsoft.Research.CRNEngine.Expression.t; + leak_rate_w: Microsoft.Research.CRNEngine.Expression.t; + pinleak_rate?: Microsoft.Research.CRNEngine.Expression.t; + tau_rate: Microsoft.Research.CRNEngine.Expression.t; + elementary_migration_rate: Microsoft.Research.CRNEngine.Expression.t; + toehold_length: number; + specificity_length: number; + local_concentrations: Array; + generate_predicates: Microsoft.Research.DNA.Options.generate_predicates; + rendering: Microsoft.Research.DNA.Options.rendering; + is_jit: boolean; + rulesProgram?: Opaque.FSharpMap>; + } + export type arrange_mode = "Wide" | "Babylon" + export const arrange_modeSelect = ["Wide", "Babylon"] + export type generate_predicates = "All_predicates" | "No_predicates" + export const generate_predicatesSelect = ["All_predicates", "No_predicates"] + export type renderer = "Classic" | "Circles" | "Branches" + export const rendererSelect = ["Classic", "Circles", "Branches"] + export type renderer_classic = "Complement" | "Condensed" | "Nucleotides" + export const renderer_classicSelect = ["Complement", "Condensed", "Nucleotides"] + export type semantics = "Infinite" | "Default" | "Finite" | "Detailed" + export const semanticsSelect = ["Infinite", "Default", "Finite", "Detailed"] + } + + export namespace Microsoft.Research.CRNEngine.Expression { + export interface divide { + div1: Microsoft.Research.CRNEngine.Expression.t; + div2: Microsoft.Research.CRNEngine.Expression.t; + } + export interface minus { + sub1: Microsoft.Research.CRNEngine.Expression.t; + sub2: Microsoft.Research.CRNEngine.Expression.t; + } + export interface modulo { + div: Microsoft.Research.CRNEngine.Expression.t; + modulo: Microsoft.Research.CRNEngine.Expression.t; + } + export interface power { + base_: Microsoft.Research.CRNEngine.Expression.t; + exponent: Microsoft.Research.CRNEngine.Expression.t; + } + export interface bexp { + BTrue?: string; + BFalse?: string; + BLT?: Microsoft.Research.CRNEngine.Expression.t[]; + BLeq?: Microsoft.Research.CRNEngine.Expression.t[]; + BEq?: Microsoft.Research.CRNEngine.Expression.t[]; + BGeq?: Microsoft.Research.CRNEngine.Expression.t[]; + BGT?: Microsoft.Research.CRNEngine.Expression.t[]; + BNot?: Microsoft.Research.CRNEngine.Expression.bexp; + BAnd?: Microsoft.Research.CRNEngine.Expression.bexp[]; + BOr?: Microsoft.Research.CRNEngine.Expression.bexp[]; + } + export interface t { + Key?: k; + Float?: number; + Times?: Array>; + Divide?: Microsoft.Research.CRNEngine.Expression.divide; + Power?: Microsoft.Research.CRNEngine.Expression.power; + Plus?: Array>; + Minus?: Microsoft.Research.CRNEngine.Expression.minus; + Absolute?: Microsoft.Research.CRNEngine.Expression.t; + Log?: Microsoft.Research.CRNEngine.Expression.t; + Modulo?: Microsoft.Research.CRNEngine.Expression.modulo; + Ceiling?: Microsoft.Research.CRNEngine.Expression.t; + Floor?: Microsoft.Research.CRNEngine.Expression.t; + Round?: Microsoft.Research.CRNEngine.Expression.t; + If?: (Microsoft.Research.CRNEngine.Expression.bexp | Microsoft.Research.CRNEngine.Expression.t)[]; + } + } + + export namespace Microsoft.Research.DNA.Origami { + export interface content { + C_strand?: Microsoft.Research.DNA.Strand.t; + C_gate?: Array>; + } + } + + export namespace Microsoft.Research.CRNEngine.Spatial_initial { + export interface core { + inner: number; + outer: number; + width: number; + } + export interface point { + x: number; + y: number; + width: number; + value: number; + } + export interface rectangle { + xmin: number; + xmax: number; + ymin: number; + ymax: number; + value: number; + } + export interface t { + random: number; + core?: Microsoft.Research.CRNEngine.Spatial_initial.core; + points: Array; + rectangles: Array; + } + } + + export namespace Microsoft.Research.CRNEngine.Mset { + export interface entry { + element: a; + multiplicity: number; + } + } + + export namespace Microsoft.Research.DNA.Value { + export type fn = "Float2Int" | "Int2Float" | "Sqrt" | "Rate" + export const fnSelect = ["Float2Int", "Int2Float", "Sqrt", "Rate"] + export type op = "Plus" | "Minus" | "Mul" | "Div" | "Power" | "Max" | "Modulo" + export const opSelect = ["Plus", "Minus", "Mul", "Div", "Power", "Max", "Modulo"] + export interface t { + String?: (string | Opaque.FSharpTuple | null)[]; + Int?: (number | Opaque.FSharpTuple | null)[]; + Domain?: (string | number | Microsoft.Research.CRNEngine.Expression.t | Opaque.FSharpTuple | null)[]; + DomainS?: (string | number | Microsoft.Research.CRNEngine.Expression.t | Opaque.FSharpTuple | null)[]; + Bool?: (boolean | Opaque.FSharpTuple | null)[]; + Char?: (string | Opaque.FSharpTuple | null)[]; + Float?: (number | Opaque.FSharpTuple | null)[]; + Variable?: (string | Opaque.FSharpTuple | null)[]; + Op?: (Microsoft.Research.DNA.Value.t | Microsoft.Research.DNA.Value.op | Opaque.FSharpTuple | null)[]; + Neg?: (Microsoft.Research.DNA.Value.t | Opaque.FSharpTuple | null)[]; + Show?: (Microsoft.Research.DNA.Value.t | Opaque.FSharpTuple | null)[]; + Function?: (Microsoft.Research.DNA.Value.fn | Microsoft.Research.DNA.Value.t | Opaque.FSharpTuple | null)[]; + Tuple?: (Array | Opaque.FSharpTuple | null)[]; + } + } + + export namespace Microsoft.Research.CRNEngine.JSAPI { + export interface jit { + jit: Microsoft.Research.CRNEngine.Jit.t; + calculus: Microsoft.Research.CRNEngine.Calculus; + } + } + + export namespace Microsoft.Research.DNA.Sequence { + export interface mapping { + toeholds: Array; + specificities: Array; + assigned: Array; + } + } + + export namespace Microsoft.Research.DNA.Species { + export interface t { + STRAND?: Microsoft.Research.DNA.Strand.t; + GATE?: Array>; + ORIGAMI?: Array; + UNKNOWN?: string; + LogicDsdProcess?: RulesDSD.Syntax.Process; + } + } + + export namespace Microsoft.Research.DNA.Strand { + export interface t { + Upper?: Array; + Lower?: Array; + } + } + + export namespace Microsoft.Research.DNA.Segment { + export interface t { + Double?: Opaque.FSharpTuple; + Hairpin?: Opaque.FSharpTuple; + } + } + + export namespace Microsoft.Research.DNA.Domain { + export interface t { + Toe?: (Microsoft.Research.DNA.Value.t | boolean | Opaque.FSharpTuple | null)[]; + Normal?: (Microsoft.Research.DNA.Value.t | boolean | Opaque.FSharpTuple | null)[]; + } + } + + export namespace Microsoft.Research.CRNEngine.Moment_closure_settings { + export interface t { + order: number; + initial_minimum: number; + log_evaluation: boolean; + plots: Array; + } + } + + export namespace Opaque { + export interface FSharpMap { } + export interface Dictionary { } + export interface FSharpTuple { } + } + export namespace System { + export interface Object { } + } + + export interface set_options { + (result: Microsoft.Research.DNA.JSAPI.ParseResult, settings: Microsoft.Research.DNA.Options.t): Microsoft.Research.DNA.JSAPI.ParseResult + } + + export interface parser { + (): (p0: string) => (p0: string) => (p0: string) => Microsoft.Research.DNA.Dsd.bundle + } + + export interface user_parse { + (code: Microsoft.Research.DNA.JSAPI.ParseObject): Microsoft.Research.DNA.JSAPI.ParseResult + } + + export interface user_expand { + (bundle: Microsoft.Research.DNA.Dsd.bundle): Microsoft.Research.CRNEngine.GuiModel + } + + export interface user_compile { + (code: Microsoft.Research.DNA.JSAPI.ParseObject): Microsoft.Research.CRNEngine.GuiModel + } + + export interface user_parse_oldsyntax { + (code: Microsoft.Research.DNA.JSAPI.ParseObject): Microsoft.Research.DNA.JSAPI.ParseResult + } + + export interface user_compile_oldsyntax { + (code: Microsoft.Research.DNA.JSAPI.ParseObject): Microsoft.Research.CRNEngine.GuiModel + } + + export interface get_jit_classic { + (bundle: Microsoft.Research.DNA.Dsd.bundle): Microsoft.Research.CRNEngine.JSAPI.jit + } + + export interface get_jit_rules { + (bundle: Microsoft.Research.DNA.Dsd.bundle): Microsoft.Research.CRNEngine.JSAPI.jit + } + + export interface is_jit { + (bundle: Microsoft.Research.DNA.Dsd.bundle): boolean + } + + export interface is_classic { + (bundle: Microsoft.Research.DNA.Dsd.bundle): boolean + } + +} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/Scripts/declarations.d.ts b/ClassicDSD/ClassicDSDTSWrapper/Scripts/declarations.d.ts new file mode 100644 index 0000000..066a6d3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/Scripts/declarations.d.ts @@ -0,0 +1,9 @@ +declare module "worker-loader*" { + class WebpackWorker extends Worker { + constructor(); + } + + export default WebpackWorker; +} + +declare module "*" // Effectively disables checking that an imported file is a module. This is brutal, but saves a ton of headaches. See https://github.com/Microsoft/TypeScript/issues/15031. If at any point TS provides a better way to allow using a js file as an untyped module, we should switch to that. \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/paket.references b/ClassicDSD/ClassicDSDTSWrapper/paket.references new file mode 100644 index 0000000..18629da --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/paket.references @@ -0,0 +1,6 @@ +group JavaScriptBuild + +Yarn.MSBuild +Node.js.redist +TypesTSFS +Microsoft.TypeScript.MSBuild \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/tsconfig.json b/ClassicDSD/ClassicDSDTSWrapper/tsconfig.json new file mode 100644 index 0000000..d5cc870 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/tsconfig.json @@ -0,0 +1,7 @@ +{ + "extends": "../../tsconfig.common", + "include": [ + "Scripts/*.ts", + "Samples/**/*.ts" + ] +} diff --git a/ClassicDSD/ClassicDSDTSWrapper/web.Debug.config b/ClassicDSD/ClassicDSDTSWrapper/web.Debug.config new file mode 100644 index 0000000..2e302f9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/web.Debug.config @@ -0,0 +1,30 @@ + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/web.Release.config b/ClassicDSD/ClassicDSDTSWrapper/web.Release.config new file mode 100644 index 0000000..c358444 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/web.Release.config @@ -0,0 +1,31 @@ + + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper/web.config b/ClassicDSD/ClassicDSDTSWrapper/web.config new file mode 100644 index 0000000..de4d352 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper/web.config @@ -0,0 +1,25 @@ + + + + + + + + + + + True + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/.gitignore b/ClassicDSD/ClassicDSDTSWrapper_Samples/.gitignore new file mode 100644 index 0000000..93f5647 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/.gitignore @@ -0,0 +1,6 @@ +dist +**/*.js +!webpack.config.js +**/*.d.ts +!declarations.d.ts +**/*.map \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/ClassicDSDTSWrapper_Samples.csproj b/ClassicDSD/ClassicDSDTSWrapper_Samples/ClassicDSDTSWrapper_Samples.csproj new file mode 100644 index 0000000..3dab5e4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/ClassicDSDTSWrapper_Samples.csproj @@ -0,0 +1,43 @@ + + + + netcoreapp3.1 + true + + Library + --mutex file install + + + + + + + + $([System.IO.Path]::GetFullPath('$(MSBuildThisFileDirectory)..\..\packages\javascriptbuild\Node.js.redist\tools\win-x64\node.exe')) + + + + + + + + $(CopyAllFilesToSingleFolderForPackageDependsOn); + CollectWebpackOutput; + + + $(CopyAllFilesToSingleFolderForMsdeployDependsOn); + CollectWebpackOutput; + + + + + + <_CustomFiles Include="dist\**\*" /> + + %(RecursiveDir)%(Filename)%(Extension) + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/Compile/app.ts b/ClassicDSD/ClassicDSDTSWrapper_Samples/Compile/app.ts new file mode 100644 index 0000000..812f80f --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/Compile/app.ts @@ -0,0 +1,54 @@ +import ClassicDSD from "../../ClassicDSDTSWrapper/Scripts/ClassicDSD"; +import * as DSDInterfaces from "../../ClassicDSDTSWrapper/Scripts/Interfaces"; +import * as CRNInterfaces from "../../../CRNEngine/CRNEngineTSWrapper/Scripts/Interfaces"; +import "../samples.css" + +var codeBox = document.getElementById("codeBox"); +var status = document.getElementById("status"); + +var me = new ClassicDSD(false); + +function appendStatus(header: string, text?: string) { + var p = document.createElement("p"); + var b = document.createElement("b"); + b.appendChild(document.createTextNode(header)); + p.appendChild(b); + if (text != null) + p.appendChild(document.createTextNode(text)); + status.appendChild(p); +} + +function clearStatus() { + while (status.firstChild) + status.removeChild(status.firstChild); +} + +function onFail(process: string, t: string, result: CRNInterfaces.Error) { + appendStatus(process + " fail (" + t + ")", JSON.stringify(result) + ")"); +} + +var localResult: DSDInterfaces.ParseResult = null; + +function parseClicked() { + clearStatus(); + appendStatus("parse start"); + var code = codeBox.value; + var observables = me.UserParse(code, false); + observables.result.subscribe(result => { localResult = result; appendStatus("parse progress (result): ", JSON.stringify(result)); }, error => onFail("parse", "result", error), () => appendStatus("parse success (result)")); +} + +function expandClicked() { + if (localResult == null) + return; + appendStatus("expand start"); + var code = codeBox.value; + var observables = me.UserExpand(code, false, localResult.model, localResult.settings); + observables.result.subscribe(result => appendStatus("expand progress (result): ", JSON.stringify(result)), error => onFail("expand", "result", error), () => appendStatus("expand success (result)")); +} + +document.getElementById("parseButton").onclick = parseClicked; +document.getElementById("expandButton").onclick = expandClicked; + +import sample from "raw-loader!../test.txt"; + +codeBox.value = sample; \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/Compile/index.html b/ClassicDSD/ClassicDSDTSWrapper_Samples/Compile/index.html new file mode 100644 index 0000000..84625f7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/Compile/index.html @@ -0,0 +1,13 @@ + + + + ClassicDSDTSWrapper Compile Sample + + + + + + +
+ + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/app.ts b/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/app.ts new file mode 100644 index 0000000..301fc79 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/app.ts @@ -0,0 +1,56 @@ +import ClassicDSD from "../../ClassicDSDTSWrapper/Scripts/ClassicDSD"; +import * as Interfaces from "../../ClassicDSDTSWrapper/Scripts/Interfaces"; +import * as CRNInterfaces from "../../../CRNEngine/CRNEngineTSWrapper/Scripts/Interfaces"; +import "../samples.css" + +var codeBox = document.getElementById("codeBox"); +var status = document.getElementById("status"); + +var me = new ClassicDSD(false); + +function appendStatus(header: string, text?: string) { + var p = document.createElement("p"); + var h = document.createElement("b"); + h.appendChild(document.createTextNode(header)); + p.appendChild(h); + if (text != null) + p.appendChild(document.createTextNode(text)); + status.appendChild(p); +} + +function clearStatus() { + while (status.firstChild) + status.removeChild(status.firstChild); +} + +function onFail(process: string, t: string, result: CRNInterfaces.Error) { + appendStatus(process + " fail (" + t + ")", JSON.stringify(result)); +} + +function onSimRun(simrun: CRNInterfaces.SimRunDefinition) { + simrun.values.subscribe(value => appendStatus("simrun value", JSON.stringify(value)), error => appendStatus("simrun values error", JSON.stringify(error)), () => appendStatus("simrun values success")); + simrun.newplottables.subscribe(value => appendStatus("simrun newplottable", JSON.stringify(value)), error => appendStatus("simrun newplottables error", JSON.stringify(error)), () => appendStatus("simrun newplottables success")); +} + +function onParseSuccess(result: Interfaces.ParseResult) { + var observables = me.UserSimulateGui(result.model, ""); + observables.node.subscribe(node => appendStatus("simulate progress (node)", JSON.stringify(node)), error => onFail("simulate", "node", error), () => appendStatus("simulate success (node)")); + observables.exports.subscribe(exports => appendStatus("simulate progress (exports)", JSON.stringify(exports)), error => onFail("simulate", "exports", error), () => appendStatus("simulate success (exports)")); + observables.instances.subscribe(instances => appendStatus("simulate progress (instances)", JSON.stringify(instances)), error => onFail("simulate", "instances", error), () => appendStatus("simulate success (instances)")); + observables.probabilities.subscribe(probabilities => appendStatus("simulate progress (probabilities)", JSON.stringify(probabilities)), error => onFail("simulate", "probabilities", error), () => appendStatus("simulate success (probabilities)")); + observables.simrun.subscribe(simrun => { appendStatus("simulate progress (simrun)", JSON.stringify(simrun)); onSimRun(simrun); }, error => onFail("simulate", "simrun", error), () => appendStatus("simulate success (simrun)")); +} + +function parseRunClicked() { + clearStatus(); + appendStatus("parse start"); + var code = codeBox.value; + var observables = me.UserParse(code, false); + observables.result.subscribe(result => { appendStatus("parse progress (result)", JSON.stringify(result)); onParseSuccess(result); }, error => onFail("parse", "result", error), () => appendStatus("parse success (result)")); +} + +document.getElementById("parseRunButton").onclick = parseRunClicked; + +import sample from "raw-loader!./jittest.txt"; + +codeBox.value = sample; \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/index.html b/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/index.html new file mode 100644 index 0000000..e8f839e --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/index.html @@ -0,0 +1,12 @@ + + + + ClassicDSDTSWrapper JIT Sample + + + + + +
+ + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/jittest.txt b/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/jittest.txt new file mode 100644 index 0000000..8c7e7b3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/JIT/jittest.txt @@ -0,0 +1,10 @@ +directive jit +directive simulation {initial=0; final=7000} + +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 + +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/declarations.d.ts b/ClassicDSD/ClassicDSDTSWrapper_Samples/declarations.d.ts new file mode 100644 index 0000000..848f698 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/declarations.d.ts @@ -0,0 +1,7 @@ +declare module "raw-loader*" +declare module "worker-loader*" { + class WebpackWorker extends Worker { + constructor(); + } + export default WebpackWorker; +} diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/paket.references b/ClassicDSD/ClassicDSDTSWrapper_Samples/paket.references new file mode 100644 index 0000000..6592879 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/paket.references @@ -0,0 +1,5 @@ +group JavaScriptBuild + +Yarn.MSBuild +Node.js.redist +Microsoft.TypeScript.MSBuild \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/samples.css b/ClassicDSD/ClassicDSDTSWrapper_Samples/samples.css new file mode 100644 index 0000000..f254aee --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/samples.css @@ -0,0 +1,20 @@ +html { + height: 97%; +} + +body { + height: 100%; +} + +.codeBox { + height: 35%; + width: 100%; +} + +.status { + font-family: monospace; +} + +.status > p { + margin: 0px; +} diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/test.txt b/ClassicDSD/ClassicDSDTSWrapper_Samples/test.txt new file mode 100644 index 0000000..7f5042f --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/test.txt @@ -0,0 +1,9 @@ +directive simulation {initial=0; final=7000} + +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 + +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/tsconfig.json b/ClassicDSD/ClassicDSDTSWrapper_Samples/tsconfig.json new file mode 100644 index 0000000..5deedd3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/tsconfig.json @@ -0,0 +1,8 @@ +{ + "extends": "../../tsconfig.common", + "include": [ + "*.ts", + "Compile/*.ts", + "JIT/*.ts", + ] +} diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/web.Debug.config b/ClassicDSD/ClassicDSDTSWrapper_Samples/web.Debug.config new file mode 100644 index 0000000..fae9cfe --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/web.Debug.config @@ -0,0 +1,30 @@ + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/web.Release.config b/ClassicDSD/ClassicDSDTSWrapper_Samples/web.Release.config new file mode 100644 index 0000000..da6e960 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/web.Release.config @@ -0,0 +1,31 @@ + + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/web.config b/ClassicDSD/ClassicDSDTSWrapper_Samples/web.config new file mode 100644 index 0000000..ee87b67 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/web.config @@ -0,0 +1,69 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + True + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTSWrapper_Samples/webpack.config.js b/ClassicDSD/ClassicDSDTSWrapper_Samples/webpack.config.js new file mode 100644 index 0000000..5673952 --- /dev/null +++ b/ClassicDSD/ClassicDSDTSWrapper_Samples/webpack.config.js @@ -0,0 +1,77 @@ +"use strict"; +var webpack = require('webpack'); +var HtmlWebpackPlugin = require('html-webpack-plugin'); +var CleanWebpackPlugin = require('clean-webpack-plugin'); +var path = require('path'); +module.exports = [{ + mode: "development", + entry: { + 'Compile': "./Compile/app.js", + 'JIT': "./JIT/app.js" + }, + output: { + filename: "./[name].[hash].js", + path: path.resolve(__dirname, 'dist') + }, + optimization: { + splitChunks: { + chunks: 'all' + } + }, + resolve: { + alias: { + idd$: path.resolve(__dirname, '../../node_modules/interactive-data-display/dist/idd_knockout.js'), + svg$: path.resolve(__dirname, '../../node_modules/svgjs'), + filesaver$: path.resolve(__dirname, '../../node_modules/file-saver'), + jquery$: path.resolve(__dirname, '../../node_modules/jquery') + } + }, + node: { + fs: 'empty' + }, + module: { + rules: [ + { + test: /\.css$/, + use: ['style-loader', 'css-loader'] + }, + { + test: /\.(svg|png)(\?v=\d+\.\d+\.\d+)?$/, + use: [{ + loader: 'file-loader', + options: { + name: '[name].[ext]', + outputPath: 'img/' + } + }] + }, + { + test: /\.wasm$/, + type: "javascript/auto", + loader: "file-loader" + } + ] + }, + plugins: [ + new CleanWebpackPlugin(['dist']), + new webpack.ProvidePlugin({ + $: 'jquery', + jQuery: 'jquery', + Rx: 'rx', + ko: 'knockout', + SVG: 'svgjs', + saveAs: 'file-saver', + jQuery_mousewheel: 'jquery-mousewheel' + }), + new HtmlWebpackPlugin({ + template: './Compile/index.html', + excludeChunks: ['JIT'], + filename: './Compile.html' + }), + new HtmlWebpackPlugin({ + template: './JIT/index.html', + excludeChunks: ['Compile'], + filename: './JIT.html' + }) + ] +}]; \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/AssemblyInfo.fs b/ClassicDSD/ClassicDSDTests/AssemblyInfo.fs new file mode 100644 index 0000000..c611445 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/AssemblyInfo.fs @@ -0,0 +1,41 @@ +namespace ClassicDSDTests.AssemblyInfo + +open System.Reflection +open System.Runtime.CompilerServices +open System.Runtime.InteropServices + +// General Information about an assembly is controlled through the following +// set of attributes. Change these attribute values to modify the information +// associated with an assembly. +[] +[] +[] +[] +[] +[] +[] +[] + +// Setting ComVisible to false makes the types in this assembly not visible +// to COM components. If you need to access a type in this assembly from +// COM, set the ComVisible attribute to true on that type. +[] + +// The following GUID is for the ID of the typelib if this project is exposed to COM +[] + +// Version information for an assembly consists of the following four values: +// +// Major Version +// Minor Version +// Build Number +// Revision +// +// You can specify all the values or you can default the Build and Revision Numbers +// by using the '*' as shown below: +// [] +[] +[] + +do + () \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/CRNRegressions.fs b/ClassicDSD/ClassicDSDTests/CRNRegressions.fs new file mode 100644 index 0000000..6940616 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/CRNRegressions.fs @@ -0,0 +1,79 @@ +module Microsoft.Research.DNA.CRNRegressions + +open System.IO +open FsUnit +open Xunit + +open TestUtils + +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine +open Parser + +let test_program crnCode dsdCode = + + // simplifies expressions so that they match Visual DSD + let simplifyRate = Reaction.map id Expression.simplify Expression.simplify + + // load Classic DSD program + let bundle = dsdCode |> SLConversion.convertSL |> Dsd.parse + let convertedCode = bundle |> Dsd.convert_expand + // renames a dsd species name to its origin species + let renamer (sp:Species) = Species.create (convertedCode.attributes.[sp.name]).structure + let rawDsd = bundle + |> Dsd.convert_expand + |> fun c -> c.map renamer + let dsd:Crn = Crn.create + "Classic DSD's CRN" + rawDsd.settings + (rawDsd.reactions |> List.map simplifyRate ) + (rawDsd.initials |> List.map (Initial.mapValues Expression.simplify)) + rawDsd.attributes + true + + // species parser, to load CRN species of the form "
[d e]" (quotes included) + let pQuotedSpecies = kw "\"" >>. manySatisfy ((<>) '\"') .>> kw "\"" + |>> Species.create + + // load Visual DSD's CRN + let crnParser = LegacyParser.parse_legacy_SL pQuotedSpecies + let crn = crnCode |> Parser.from_string crnParser + let spec = { crn with name = "Visual DSD's CRN" } + check_crn_equal_relaxed dsd spec + +let test_example (crnFile, dsdFile) : string option = + try + let crn = File.ReadAllText crnFile + let dsd = File.ReadAllText dsdFile + test_program crn dsd + None + with e -> let testName = Path.GetFileNameWithoutExtension dsdFile + Some (sprintf "Test \"%s\":\n%s" testName e.Message) + +let try_many testees = + testees + |> List.choose test_example + |> function | [] -> () + | es -> es |> String.concat "\n\n" + |> sprintf "The following tests failed:\n%s" + |> failwith + +let trimEmpty = String.filter (fun c -> List.exists ((=) c) [' ';'\r';'\n';'\t']) + + +let TEST_FOLDER = "testData" +let CRN_COMPARISON_DIR = "crnComparison" + +[] +[] +let ``CRN equality regression tests`` () = + System.Threading.Thread.CurrentThread.CurrentCulture <- System.Globalization.CultureInfo.InvariantCulture + let (+/) a b = Path.Combine(a, b) + + // let projectDir = read_resource "projectDir.value" |> trimEmpty + let projectDir = Directory.GetParent(Directory.GetCurrentDirectory()).Parent.Parent.Parent.FullName.Trim [|' ';'\r';'\n';'\t'|] + let testsPath = projectDir +/ TEST_FOLDER +/ CRN_COMPARISON_DIR + let crns = Directory.EnumerateFiles (testsPath, "*.crn") |> Seq.toList + let dsds = Directory.EnumerateFiles (testsPath, "*.dna") |> Seq.toList + debug (sprintf "Testing %d DSD programs" (Seq.length dsds)) + List.zip crns dsds |> try_many \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/CalculusTests.fs b/ClassicDSD/ClassicDSDTests/CalculusTests.fs new file mode 100644 index 0000000..2e62395 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/CalculusTests.fs @@ -0,0 +1,69 @@ +module Microsoft.Research.DNA.CalculusTests + +open FsUnit +open FsUnit.Xunit +open Xunit + +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine + +module Value = Microsoft.Research.CRNEngine.Expression + +[] +let ``test`` () = + let text = """def input1() = + def input2() = + def fuel() = [s*]{x^> + def origami() = [[ {tether(a,b) a0^*}[s]{y^> + | {tether(c,d) b0^*}[s]{y^> + | {tether(a,c) x^*}[s]{blank^> + | {tether(b,d) x^*}[s]{y^> ]] + + ( input1() + (*| input2()*) + | 3 * fuel() + | origami() + ) +""" + let t'= SLConversion.convertSL text + let t = Dsd.compile t' +// Assert.NotSame("", t') + Assert.NotEmpty( t.initials ) + +[] +[] +let ``Rule: RB,N+``() = + let text = "directive unproductive ({M N^* S} | )" + let t = Dsd.compile text + + Assert.NotEmpty(t.reactions) + let isReversible = + match t.reactions.[0].reverse with + | None -> false + | Some _ -> true + Assert.True(isReversible) + Assert.Equal(3, t.initials.Length) // 2 species above plus one resulting from their merging + + let crn = Dsd.convert_expand (Dsd.parse text) + Assert.Equal(1, crn.reactions.Length) + let isReversible2 = + match crn.reactions.[0].reverse with + | None -> false + | Some _ -> true + Assert.True(isReversible2) + Assert.Equal(3, crn.initials.Length) + + let opts = Options.setUnproductive true Options.default_options + let bind_rate = Rate.MassAction (Value.Float (Options.get_toehold_bind_rate opts)) + let unbind_rate = Rate.MassAction (Value.Float (Options.get_toehold_unbind_rate opts)) + + let seq (s1:Species) (s2:Species) = s1.name = s2.name + let reversibles = Crn.compute_reversibles seq t + + Assert.Equal(1, reversibles.Length) + let rv = reversibles.[0] + Assert.Equal(2, rv.reactants.Length) + Assert.Equal(1, rv.products.Length) + Assert.Empty(rv.catalysts) + Assert.Equal(bind_rate, rv.rate) + Assert.Equal(Some unbind_rate, rv.reverse) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/CircuitsFilzbach.dna b/ClassicDSD/ClassicDSDTests/CircuitsFilzbach.dna new file mode 100644 index 0000000..1cff61b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/CircuitsFilzbach.dna @@ -0,0 +1,326 @@ +directive sample 18000.0 1000 +directive compilation infinite +directive simulation deterministic +directive declare +directive time s +directive concentration nM +directive plot <_ fl^>; +directive parameters [ +(* Rates *) +ka,(1.0e-5,2.0e-3),0.0003,log,random; +kq,(1.0e-5,2.0e-3),0.0003,log,random; +kr,(1.0e-5,2.0e-3),0.0003,log,random; +kb,(1.0e-5,2.0e-3),0.0003,log,random; +kc,(1.0e-5,2.0e-3),0.0003,log,random; +ua,(1.0e-4,2.0e+1),0.1,log,fixed; +ub,(1.0e-4,2.0e+1),0.1,log,fixed; +ur,(1.0e-4,2.0e+1),0.1,log,fixed; +uq,(1.0e-4,2.0e+1),0.1,log,fixed; +uc,(1.0e-4,2.0e+1),0.1,log,fixed; +kt,(1.0e-5,2.0e-3),0.0003,log,random; +ku1,(1.0e-5,2.0e-3),0.0003,log,random; +ku2,(1.0e-5,2.0e-3),0.0003,log,random; +ku3,(1.0e-5,2.0e-3),0.0003,log,random; +ut,(1.0e-4,2.0e+1),0.1,log,fixed; +uu1,(1.0e-4,2.0e+1),0.1,log,fixed; +uu2,(1.0e-4,2.0e+1),0.1,log,fixed; +uu3,(1.0e-4,2.0e+1),0.1,log,fixed; + +(* +katb,(1.0e-5,2.0e-3),0.0003,log,random; +kbJ,(1.0e-5,2.0e-3),0.0003,log,random; +kbtrJ,(1.0e-5,2.0e-3),0.0003,log,random; +krJ,(1.0e-5,2.0e-3),0.0003,log,random; +kqJ,(1.0e-5,2.0e-3),0.0003,log,random; +kctr,(1.0e-5,2.0e-3),0.0003,log,random; +kbtr,(1.0e-5,2.0e-3),0.0003,log,random; +kctb,(1.0e-5,2.0e-3),0.0003,log,random; +kbtb,(1.0e-5,2.0e-3),0.0003,log,random; +kbtc,(1.0e-5,2.0e-3),0.0003,log,random; +kitc,(1.0e-5,2.0e-3),0.0003,log,random; +kitb,(1.0e-5,2.0e-3),0.0003,log,random; +kqR,(1.0e-4,2.0e-3),0.00067,log,fixed; +kcR,(1.0e-4,2.0e-3),0.00052,log,fixed; +*) + +(* Concentrations *) +X = 50.0; NG = 75.0; NH = 100.0; NR = 150.0; (* Default *) +Xv = 40.0; NGv = 120.0; NHv = 120.0; NRv = 120.0; (* Reversibles *) +Xh = 10.0; NGh = 15.0; NHh = 20.0; NRh = 30.0; (* Halves *) +Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; (* Intermediates *) +Xr = 1.0; NRr = 3.0; (* Reporters *) +Xm = 40.0; NGm = 80.0; NHm = 80.0; NRm = 120.0; (* Consensus *) + +(* Proportions *) +leakRepT,(0.0,0.1),0.0,real,fixed; badRepT,(0.0,0.3),0.0011,real,fixed; +leakRepC,(0.0,0.1),0.0,real,fixed; badRepC,(0.0,0.3),0.017,real,fixed; +leakJoinAB_A,(0.0,0.1),0.012,real,fixed; badJoinAB_A,(0.0,0.3),0.15,real,fixed; +leakJoinAB_B,(0.0,0.1),0.011,real,fixed; badJoinAB_B,(0.0,0.3),0.048,real,fixed; +leakJoinAB_H,(0.0,0.1),0.0076,real,fixed; badJoinAB_H,(0.0,0.3),0.065,real,fixed; +leakForkC_T,(0.0,0.1),0.0066,real,fixed; badForkC_T,(0.0,0.3),0.19,real,fixed; +leakForkC_H,(0.0,0.1),0.0049,real,fixed; badForkC_H,(0.0,0.3),0.25,real,fixed; +leakForkBC_T,(0.0,0.1),0.024,real,fixed; badForkBC_T,(0.0,0.3),0.19,real,fixed; +leakForkBC_HB,(0.0,0.1),0.015,real,fixed; badForkBC_HB,(0.0,0.3),0.12,real,fixed; +leakForkBC_HC,(0.0,0.1),0.0059,real,fixed; badForkBC_HC,(0.0,0.3),0.2,real,fixed; +leakForkCBB_T,(0.0,0.1),0.00977,real,fixed; badForkCBB_T,(0.0,0.3),0.146,real,fixed; +leakForkCBB_HC,(0.0,0.1),0.000676,real,fixed; badForkCBB_HC,(0.0,0.3),0.161,real,fixed; + +leakNon_J,(0.0,0.1),0.025,real,fixed; badNon,(0.0,0.3),0.1,real,fixed; +leakNon_F,(0.0,0.1),0.0019,real,fixed; +leakRev_J,(0.0,0.1),0.01,real,fixed; badRev_A,(0.0,0.3),0.01,real,fixed; +leakRev_F,(0.0,0.1),0.01,real,fixed; badRev_B,(0.0,0.3),0.01,real,fixed; +leakMix_J,(0.0,0.1),0.0,real,fixed; badMix_A,(0.0,0.3),0.067,real,fixed; +leakMix_F,(0.0,0.1),0.0,real,fixed; badMix_B,(0.0,0.3),0.0,real,fixed; +leakCat_J,(0.0,0.1),0.01,real,fixed; badCat_A,(0.0,0.3),0.01,real,fixed; +leakCat_F,(0.0,0.1),0.01,real,fixed; badCat_B,(0.0,0.3),0.01,real,fixed; +leakBBC_J,(0.0,0.1),0.01,real,fixed; badBBC_A,(0.0,0.3),0.01,real,fixed; +leakBBC_F,(0.0,0.1),0.01,real,fixed; badBBC_B,(0.0,0.3),0.01,real,fixed; +leakBCB_J,(0.0,0.1),0.01,real,fixed; badBCB_A,(0.0,0.3),0.01,real,fixed; +leakBCB_F,(0.0,0.1),0.01,real,fixed; badBCB_B,(0.0,0.3),0.01,real,fixed; +leakCBB_J,(0.0,0.1),0.01,real,fixed; badCBB_A,(0.0,0.3),0.01,real,fixed; +leakCBB_F,(0.0,0.1),0.01,real,fixed; badCBB_B,(0.0,0.3),0.01,real,fixed; + +leakXY2B_J,(0.0,0.1),0.01,real,fixed; badXY2B_X,(0.0,0.3),0.01,real,fixed; +leakXY2B_F,(0.0,0.1),0.01,real,fixed; badXY2B_Y,(0.0,0.3),0.01,real,fixed; +leakBX2X_J,(0.0,0.1),0.01,real,fixed; badBX2X_B,(0.0,0.3),0.01,real,fixed; +leakBX2X_F,(0.0,0.1),0.01,real,fixed; badBX2X_X,(0.0,0.3),0.01,real,fixed; +leakBY2Y_J,(0.0,0.1),0.01,real,fixed; badBY2Y_B,(0.0,0.3),0.01,real,fixed; +leakBY2Y_F,(0.0,0.1),0.01,real,fixed; badBY2Y_Y,(0.0,0.3),0.01,real,fixed; + +leakJoinBX_B,(0.0,0.1),0.01,real,fixed; badJoinBX_B,(0.0,0.3),0.01,real,fixed; +leakJoinBX_X,(0.0,0.1),0.01,real,fixed; badJoinBX_X,(0.0,0.3),0.01,real,fixed; +leakJoinBX_H,(0.0,0.1),0.01,real,fixed; badJoinBX_H,(0.0,0.3),0.01,real,fixed; +leakJoinBY_B,(0.0,0.1),0.01,real,fixed; badJoinBY_B,(0.0,0.3),0.01,real,fixed; +leakJoinBY_Y,(0.0,0.1),0.01,real,fixed; badJoinBY_Y,(0.0,0.3),0.01,real,fixed; +leakJoinBY_H,(0.0,0.1),0.01,real,fixed; badJoinBY_H,(0.0,0.3),0.01,real,fixed; +leakJoinXY_X,(0.0,0.1),0.01,real,fixed; badJoinXY_X,(0.0,0.3),0.01,real,fixed; +leakJoinXY_Y,(0.0,0.1),0.01,real,fixed; badJoinXY_Y,(0.0,0.3),0.01,real,fixed; +leakJoinXY_H,(0.0,0.1),0.01,real,fixed; badJoinXY_H,(0.0,0.3),0.01,real,fixed; + +leakFork2B_R,(0.0,0.1),0.01,real,fixed; badFork2B_R,(0.0,0.3),0.01,real,fixed; +leakFork2B_H1,(0.0,0.1),0.01,real,fixed; badFork2B_H1,(0.0,0.3),0.01,real,fixed; +leakFork2B_H2,(0.0,0.1),0.01,real,fixed; badFork2B_H2,(0.0,0.3),0.01,real,fixed; +leakFork2X_R,(0.0,0.1),0.01,real,fixed; badFork2X_R,(0.0,0.3),0.01,real,fixed; +leakFork2X_H1,(0.0,0.1),0.01,real,fixed; badFork2X_H1,(0.0,0.3),0.01,real,fixed; +leakFork2X_H2,(0.0,0.1),0.01,real,fixed; badFork2X_H2,(0.0,0.3),0.01,real,fixed; +leakFork2Y_R,(0.0,0.1),0.01,real,fixed; badFork2Y_R,(0.0,0.3),0.01,real,fixed; +leakFork2Y_H1,(0.0,0.1),0.01,real,fixed; badFork2Y_H1,(0.0,0.3),0.01,real,fixed; +leakFork2Y_H2,(0.0,0.1),0.01,real,fixed; badFork2Y_H2,(0.0,0.3),0.01,real,fixed +(*; +N1 = [0.0,0.2,0.4,0.6]; +N2 = [0.0,0.2,0.4,0.6]; +N3 = [0.0,0.2,0.4,0.6] +*) +;N,(0.0,1.0),0.0,real,fixed +] +directive sweep N = [0.0,0.2,0.4,0.6] +directive fit {N; JoinBX_AddB; } +(* +directive fit {input = N1; data = JoinBX_AddB; outputs = []} +directive fit {input = N2; data = JoinBX_AddX; outputs = []} +directive fit {input = N3; data = JoinBX_AddH; outputs = []} + +run JoinBX_AddB(N1) +run JoinBX_AddX(N2) +run JoinBX_AddH(N2) + +****** + +paras1 = (NJoinBX_AddB*Xi*(1.0-badJoinBX_B), NMi, NMi, leakJoinBX_B); +paras2 = (NMi, NJoinBX_AddX*Xi*(1.0-badJoinBX_X), NMi, leakJoinBX_X); +paras3 = (NMi, NMi, NJoinBX_AddH*Xi*(1.0-badJoinBX_H), leakJoinBX_H); +paras = [paras1,paras2,paras3]; + +run ( JoinBX(paras) | RepJoinBX(NRi) ) + +*) + +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tc,c) = + +def Translator(x,tx) = +def InputR(h,th) = +def OutputR(h,th) = +def CatalystR(h,th) = +def Output1R(h,th) = +def Output2R(h,th) = +def Output3R(h,th) = +def End(h,th) = +def Signal(c,fl) = +def SignalR(fl,c) = +def Rep(tx,x) = {tx^*}[x] +def RepR(x,tx) = [x]{tx^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Fork_C(i,tc,c,tr,r,tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i,tc,c,tb,b,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} + +def Join(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) +) +def Fork(N,NH1,NH2,NG,Leak,i,tc,c,tr,r,tq) = +( NG*(1.0-Leak) * Fork_C(i,tc,c,tr,r,tq) +| NG*Leak * Output(tc,c) +| N * Translator(r,tq) +| NH1 * OutputR(c,tr) +| NH2 * End(i,tc) +| 0 * Helper(tr,r) +) +def Fork2(N,NH1,NH2,NH3,NG,Leak,i,tc,c,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Fork_BC(i,tc,c,tb,b,tr,r,tq) +| NG*Leak * Output(tc,c) +| N * Translator(r,tq) +| NH1 * CatalystR(b,tr) +| NH2 * OutputR(c,tb) +| NH3 * End(i,tc) +| 0 * Helper(tr,r) +| 0 * Catalyst(tb,b) +) +def Fork3(N,NH1,NH2,NH3,NH4,NG,Leak,i,td,d,tc,c,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) +| N * Translator(r,tq) +| NH1 * Output1R(b,tr) +| NH2 * Output2R(c,tb) +| NH3 * Output3R(d,tc) +| NH4 * End(i,td) +| 0 * Helper(tr,r) +) +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * RepR(r,tq) +| 0 * SignalR(fl,r) +) +def RepFork(N,NR,tc,c) = +( N * Output(tc,c) +| NR * Rep(tc,c) +| 0 * Signal(c,fl) +) + +dom ta = {seq = CTGCTA; bind=ka; unbind=ua} +dom tb = {seq = TTCCAC; bind=kb; unbind=ub} +dom tr = {seq = TCCTAC; bind=kr; unbind=ur} +dom tq = {seq = AACCAG; bind=kq; unbind=uq} +dom tc = {seq = TACCCA; bind=kc; unbind=uc} +dom a = {seq = CATTGCTTCTACGAGTCATCC} +dom b = {seq = CATTGCACCTTAGAGTCCGAA} +dom c = {seq = CATTGCCACATCGAGTCCCTT} +dom r = {seq = CATTGCTTAACCGAGTCTCAC} +dom i = {seq = CTGCCATCATAAGAGTCACCA} + +def RepT(N,NR) = RepJoin(N,NR,r,tq) +def RepC(N,NR) = RepFork(N,NR,tc,c) +def JoinAB(NA,NB,NH,NG,NV,Leak) = Join(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) +def ForkC(NT,NH,NI,NG,Leak,NR) = ( Fork(NT,NH,NI,NG,Leak,i,tc,c,tr,r,tq) | RepC(0.0,NR) ) +def ForkBC(NT,NHB,NHC,NHI,NG,Leak,NR) = ( Fork2(NT,NHB,NHC,NHI,NG,Leak,i,tc,c,tb,b,tr,r,tq) | RepC(0.0,NR) ) +def ForkCBB(NT,NH1,NH2,NH3,NHI,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NHI,NG,Leak,i,tb,b,tb,b,tc,c,tr,r,tq) | RepC(NG*Leak,NR) ) +def ForkBBC(NT,NH1,NH2,NH3,NHI,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NHI,NG,Leak,i,tc,c,tb,b,tb,b,tr,r,tq) | RepC(NG*Leak,NR) ) +def ForkBCB(NT,NH1,NH2,NH3,NHI,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NHI,NG,Leak,i,tb,b,tc,c,tb,b,tr,r,tq) | RepC(NG*Leak,NR) ) + +def RepT_AddT(N) = RepT(N*(1.0-badRepT),NRr) +def RepC_AddC(N) = RepC(N*(1.0-badRepC),NRr) +def JoinAB_AddA(N) = ( JoinAB(Xi*N*(1.0-badJoinAB_A),NHi,NHi,NGi,0.0,leakJoinAB_A) | RepT(0.0,NRi) ) +def JoinAB_AddB(N) = ( JoinAB(NMi,Xi*N*(1.0-badJoinAB_B),NHi,NGi,0.0,leakJoinAB_B) | RepT(0.0,NRi) ) +def JoinAB_AddH(N) = ( JoinAB(NMi,NMi,Xi*N*(1.0-badJoinAB_H),NGi,0.0,leakJoinAB_H) | RepT(0.0,NRi) ) +def ForkC_AddT(N) = ForkC(Xi*N*(1.0-badForkC_T),NHi,NHi,NGi,leakForkC_T,NRi) +def ForkC_AddH(N) = ForkC(NMi,Xi*N*(1.0-badForkC_H),NHi,NGi,leakForkC_H,NRi) +def ForkBC_AddT(N) = ForkBC(Xi*N*(1.0-badForkBC_T ),NHi,NHi,NHi,NGi,leakForkBC_T,NRi) +def ForkBC_AddHB(N) = ForkBC(NMi,Xi*N*(1.0-badForkBC_HB),NHi,NHi,NGi,leakForkBC_HB,NRi) +def ForkBC_AddHC(N) = ForkBC(NMi,NMi,Xi*N*(1.0-badForkBC_HC),NHi,NGi,leakForkBC_HC,NRi) +def ForkCBB_AddT(N) = ForkCBB(Xi*N*(1.0-badForkCBB_T),NHi,NHi,NHi,NHi,NGi,leakForkCBB_T,NRi) +def ForkCBB_AddHC(N) = ForkCBB(NMi,Xi*N*(1.0-badForkCBB_HC),NHi,NHi,NHi,NGi,leakForkCBB_HC,NRi) +def Non(N) = ( JoinAB(X*N*(1.0-badNon),NH,NH,NG,0.0,leakNon_J) | ForkC(0.0,NH,NH,NG,leakNon_F,NR) ) +def Non_Mix(NA,NB) = ( JoinAB(Xv*NA*(1.0-badMix_A),Xv*NB*(1.0-badMix_B),NHv,NGv,NHv,leakMix_J) | ForkC(0.0,NHv,NHv,NGv,leakMix_F,NRv) ) +def Non_Rev(N,NV) = ( JoinAB(Xv*N*(1.0-badRev_A),Xv*N*(1.0-badRev_B),NHv,NGv,NV,leakRev_J) | ForkC(0.0,NHv,NHv,NGv,leakRev_F,NRv) ) +def Cat(N) = ( JoinAB(X*0.5*(1.0-badCat_A),X*N*(1.0-badCat_B),NH,NG,0.0,leakCat_J) | ForkBC(0.0,NH,NH,NH,NG,leakCat_F,NR) ) +def AutoBBC(N) = ( JoinAB(X*(1.0-badBBC_A),X*N*(1.0-badBBC_B),NH,NG,0.0,leakBBC_J) | ForkBBC(0.0,NH,NH,NH,NH,NG,leakBBC_F,NR) ) +def AutoBCB(N) = ( JoinAB(X*(1.0-badBCB_A),X*N*(1.0-badBCB_B),NH,NG,0.0,leakBCB_J) | ForkBCB(0.0,NH,NH,NH,NH,NG,leakBCB_F,NR) ) +def AutoCBB(N) = ( JoinAB(X*(1.0-badCBB_A),X*N*(1.0-badCBB_B),NH,NG,0.0,leakCBB_J) | ForkCBB(0.0,NH,NH,NH,NH,NG,leakCBB_F,NR) ) + +dom t = {seq = CTGATC; bind=kt; unbind=ut} +dom u1 = {seq = CTTCAG; bind=ku1; unbind=ut} +dom u2 = {seq = CCATAC; bind=ku2; unbind=ut} +dom u3 = {seq = ATACCC; bind=ku3; unbind=ut} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} + +def RepJoinBX(NR) = RepJoin(0.0,NR,rbx,u1) +def RepJoinBY(NR) = RepJoin(0.0,NR,rby,u1) +def RepJoinXY(NR) = RepJoin(0.0,NR,rxy,u1) +def JoinBX(NB,NX,NH,NG,Leak) = Join(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = Join(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = Join(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def Fork2B(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) | RepFork(NG*Leak,NR,u3,pb) ) +def ForkXY2B(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) | RepFork(NG*Leak,NR,t,b) ) +def Fork2X(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1) | RepFork(NG*Leak,NR,u3,px) ) +def Fork2Y(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1) | RepFork(NG*Leak,NR,u3,py) ) + +def JoinBX_AddB(N) = ( JoinBX(N*Xi*(1.0-badJoinBX_B),NMi,NMi,NGi,leakJoinBX_B) | RepJoinBX(NRi) ) +def JoinBX_AddX(N) = ( JoinBX(NMi,N*Xi*(1.0-badJoinBX_X),NMi,NGi,leakJoinBX_X) | RepJoinBX(NRi) ) +def JoinBX_AddH(N) = ( JoinBX(NMi,NMi,N*Xi*(1.0-badJoinBX_H),NGi,leakJoinBX_H) | RepJoinBX(NRi) ) +def JoinBY_AddB(N) = ( JoinBY(N*Xi*(1.0-badJoinBY_B),NMi,NMi,NGi,leakJoinBY_B) | RepJoinBY(NRi) ) +def JoinBY_AddY(N) = ( JoinBY(NMi,N*Xi*(1.0-badJoinBY_Y),NMi,NGi,leakJoinBY_Y) | RepJoinBY(NRi) ) +def JoinBY_AddH(N) = ( JoinBY(NMi,NMi,N*Xi*(1.0-badJoinBY_H),NGi,leakJoinBY_H) | RepJoinBY(NRi) ) +def JoinXY_AddX(N) = ( JoinXY(N*Xi*(1.0-badJoinXY_X),NMi,NMi,NGi,leakJoinXY_X) | RepJoinXY(NRi) ) +def JoinXY_AddY(N) = ( JoinXY(NMi,N*Xi*(1.0-badJoinXY_Y),NMi,NGi,leakJoinXY_Y) | RepJoinXY(NRi) ) +def JoinXY_AddH(N) = ( JoinXY(NMi,NMi,N*Xi*(1.0-badJoinXY_H),NGi,leakJoinXY_H) | RepJoinXY(NRi) ) +def Fork2B_AddR(N) = ( Fork2B(N*Xi*(1.0-badFork2B_R ),NMi,NMi,NMi,NMi,NGi,leakFork2B_R,NRi) ) +def Fork2B_AddH1(N) = ( Fork2B(NMi,N*Xi*(1.0-badFork2B_H1),NMi,NMi,NMi,NGi,leakFork2B_H1,NRi) ) +def Fork2B_AddH2(N) = ( Fork2B(NMi,NMi,N*Xi*(1.0-badFork2B_H2),NMi,NMi,NGi,leakFork2B_H2,NRi) ) +def Fork2X_AddR(N) = ( Fork2X(N*Xi*(1.0-badFork2X_R ),NMi,NMi,NMi,NMi,NGi,leakFork2X_R,NRi) ) +def Fork2X_AddH1(N) = ( Fork2X(NMi,N*Xi*(1.0-badFork2X_H1),NMi,NMi,NMi,NGi,leakFork2X_H1,NRi) ) +def Fork2X_AddH2(N) = ( Fork2X(NMi,NMi,N*Xi*(1.0-badFork2X_H2),NMi,NMi,NGi,leakFork2X_H2,NRi) ) +def Fork2Y_AddR(N) = ( Fork2Y(N*Xi*(1.0-badFork2Y_R ),NMi,NMi,NMi,NMi,NGi,leakFork2Y_R,NRi) ) +def Fork2Y_AddH1(N) = ( Fork2Y(NMi,N*Xi*(1.0-badFork2Y_H1),NMi,NMi,NMi,NGi,leakFork2Y_H1,NRi) ) +def Fork2Y_AddH2(N) = ( Fork2Y(NMi,NMi,N*Xi*(1.0-badFork2Y_H2),NMi,NMi,NGi,leakFork2Y_H2,NRi) ) +def XY2B(Nx,Ny,X,NH,NG,NR) = ( JoinXY(X*Nx*(1.0-badXY2B_X),X*Ny*(1.0-badXY2B_Y),NH,NG,leakXY2B_J) | ForkXY2B(0.0,NH,NH,NH,NH,NG,leakXY2B_F,NR) ) +def BX2X(N,X,NH,NG,NR) = ( JoinBX(X*(1.0-badBX2X_B),X*N*(1.0-badBX2X_B),NH,NG,leakBX2X_J) | Fork2X(0.0,NH,NH,NH,NH,NG,leakBX2X_F,NR) ) +def BY2Y(N,X,NH,NG,NR) = ( JoinBY(X*(1.0-badBY2Y_B),X*N*(1.0-badBY2Y_B),NH,NG,leakBY2Y_J) | Fork2Y(0.0,NH,NH,NH,NH,NG,leakBY2Y_F,NR) ) +def AM(Nx,Ny) = ( XY2B(Nx,Ny,Xm,NHm,NGm,NRm) | BX2X(0.0,0.0,NHm,NGm,NRm) | BY2Y(0.0,0.0,NHm*1.2,NGm*1.2,NRm) | NHm * 0.8 * ) + +(* +def N = 0.0 +*) +def Nx = 0.3 +def Ny = 0.7 +( + | {t^*}[u1^ u2^ u3^] | +JoinBX_AddB(N) +) + +(* ************************************************************** +def Circuit2(NA,NB) = Non_Mix(NA,NB) +def Circuit(N) = BX2X(N) + +def Circuits_Int() = ( Circuit(0.0) | Circuit(0.2) | Circuit(0.4) | Circuit(0.6) ) +def Circuits() = ( Circuit(0.0) | Circuit(0.25) | Circuit(0.5) | Circuit(0.75) | Circuit(1.0) ) +def Circuits_Cat() = ( Circuit(0.0) | Circuit(0.025) | Circuit(0.05) | Circuit(0.1) | Circuit(0.2) | Circuit(1.0) ) +def Circuits_Auto() = ( Circuit(0.0) | Circuit(0.1) | Circuit(0.2) | Circuit(0.3) | Circuit(0.5) | Circuit(1.0) ) +def Circuits_BX2X() = ( BX2X(0.0) | BX2X(0.1) | BX2X(0.3) | BX2X(1.0) ) +def Circuits_BY2Y() = ( BY2Y(0.0) | BY2Y(0.1) | BY2Y(0.3) | BY2Y(1.0) ) +def Circuits2_XY2B() = ( XY2B(0.0,0.0) | XY2B(0.7,0.3) | XY2B(0.3,0.7) | XY2B(0.8,0.2) ) + +Non_Mix(1.0,1.0) 0.25,0.25; 0.25,0.5 ; 0.5,0.25 ; 0.3,1.0 ; 1.0,0.3 ; 0.5,0.5 ; 0.5,1.0 ; 1.0,0.5 +Non_Rev(1.0,1.0,13.0) 0.5,0.0; 0.25,0.0 ; 0.5,3.0 ; 0.25,3.0 ; 0.5,13.0 ; 0.25,13.0 +AM(0.7,0.3) + + | {ta^*}[tb^ tr^ tq^ tc^ fl^] | + | {t^*}[u1^ u2^ u3^] | +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/ClassicDSDTests.fsproj b/ClassicDSD/ClassicDSDTests/ClassicDSDTests.fsproj new file mode 100644 index 0000000..931daa4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/ClassicDSDTests.fsproj @@ -0,0 +1,52 @@ + + + + netcoreapp3.1 + Exe + x64 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + ..\..\Lib\Oslo.FSharp\Oslo.FSharp.dll + + + + + + + + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/DSDCompilationTests.xml b/ClassicDSD/ClassicDSDTests/DSDCompilationTests.xml new file mode 100644 index 0000000..ee9892b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/DSDCompilationTests.xml @@ -0,0 +1,1971 @@ + + + + + + + ( <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] ) + + + <s6 s3^ s4> + <s4 s5^> + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + <s1>[s2]:<s6>[s3^ s4]:s5^ + <s1>[s2]:s3^:[s4 s5^] + + + + + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + + + <s1>[s2]:s3^:[s4 s5^] + <s6 s3^ s4> + + + + + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + + + <s1>[s2]:<s6>[s3^ s4]:s5^ + <s4 s5^> + + + + + + + + + directive sample 7000.0 1000 + new s3@ 4.2E-7 , 4.0E-2 + new s5@ 6.5E-7 , 4.0E-3 + ( 7800 * <s2 s3^ s4> + | 6000 * <s4 s5^> + | 6000 * <s1>[s2]:<s6>[s3^ s4]:s5^ + ) + + + <s6 s3^ s4> + <s1 s2> + <s4 s5^> + <s2 s3^ s4> + <s1>[s2]:<s6>[s3^ s4]:s5^ + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + <s1>[s2]:s3^:[s4 s5^] + [s2 s3^ s4]:<s4>[s5^] + [s2 s3^ s4]:s5^ + + + + + <s1>[s2]:<s6>[s3^ s4]:s5^ + <s4 s5^> + + + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + + + + + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + + + <s1>[s2]:s3^:[s4 s5^] + <s6 s3^ s4> + + + + + <s1>[s2]:s3^:[s4 s5^] + <s2 s3^ s4> + + + [s2 s3^ s4]:<s4>[s5^] + <s1 s2> + + + + + [s2 s3^ s4]:<s4>[s5^] + + + [s2 s3^ s4]:s5^ + <s4 s5^> + + + + + + + + + directive sample 10.0 1000 + def fork(N, xt,xb, yt,yb, zt,zb) = + new a + ( N* xt^:[xb yt^]<yb>:[a zt^]<zb> + | N* <yt^ a zt^> + ) + def join(N, xt,xb, yt,yb, zt,zb) = + new a new b + ( N* xt^:[xb yt^]:[yb a^]:[b zt^]<zb> + | N* <a^ b zt^> + ) + new xt new yt new zt + ( constant join(100, xt,xb, yt,yb, zt,zb) + | constant join(100, xt,xb, yt,yb, zt,zb) + | 100 * <xh xt^ xb> + | 100 * <yh yt^ yb> + ) + + + <yb a.1^> + <b.2 zt^ zb> + <yb a^> + <b zt^ zb> + <yh yt^ yb> + <xb yt^> + <xh xt^ xb> + <a.1^ b.2 zt^> + <a^ b zt^> + xt^:[xb yt^]:[yb a^]:[b zt^]<zb> + xt^:[xb yt^]:[yb a.1^]:[b.2 zt^]<zb> + <xh>[xt^ xb]:<xb>[yt^]:[yb a.1^]:[b.2 zt^]<zb> + <xh>[xt^ xb]:yt^:[yb a.1^]:[b.2 zt^]<zb> + <xh>[xt^ xb]:<xb>[yt^]:[yb a^]:[b zt^]<zb> + <xh>[xt^ xb]:yt^:[yb a^]:[b zt^]<zb> + <xh>[xt^ xb]:<yh>[yt^ yb]:<yb>[a^]:[b zt^]<zb> + <xh>[xt^ xb]:<yh>[yt^ yb]:a^:[b zt^]<zb> + <xh>[xt^ xb]:<yh>[yt^ yb]:[a^ b zt^] + <xh>[xt^ xb]:<yh>[yt^ yb]:<yb>[a.1^]:[b.2 zt^]<zb> + <xh>[xt^ xb]:<yh>[yt^ yb]:a.1^:[b.2 zt^]<zb> + <xh>[xt^ xb]:<yh>[yt^ yb]:[a.1^ b.2 zt^] + + + + + xt^:[xb yt^]:[yb a^]:[b zt^]<zb> + <xh xt^ xb> + + + <xh>[xt^ xb]:<xb>[yt^]:[yb a^]:[b zt^]<zb> + + + + + xt^:[xb yt^]:[yb a.1^]:[b.2 zt^]<zb> + <xh xt^ xb> + + + <xh>[xt^ xb]:<xb>[yt^]:[yb a.1^]:[b.2 zt^]<zb> + + + + + <xh>[xt^ xb]:<xb>[yt^]:[yb a.1^]:[b.2 zt^]<zb> + + + <xh>[xt^ xb]:yt^:[yb a.1^]:[b.2 zt^]<zb> + <xb yt^> + + + + + <xh>[xt^ xb]:<xb>[yt^]:[yb a^]:[b zt^]<zb> + + + <xh>[xt^ xb]:yt^:[yb a^]:[b zt^]<zb> + <xb yt^> + + + + + <xh>[xt^ xb]:yt^:[yb a.1^]:[b.2 zt^]<zb> + <yh yt^ yb> + + + <xh>[xt^ xb]:<yh>[yt^ yb]:<yb>[a.1^]:[b.2 zt^]<zb> + + + + + <xh>[xt^ xb]:yt^:[yb a^]:[b zt^]<zb> + <yh yt^ yb> + + + <xh>[xt^ xb]:<yh>[yt^ yb]:<yb>[a^]:[b zt^]<zb> + + + + + <xh>[xt^ xb]:<yh>[yt^ yb]:<yb>[a^]:[b zt^]<zb> + + + <xh>[xt^ xb]:<yh>[yt^ yb]:a^:[b zt^]<zb> + <yb a^> + + + + + <xh>[xt^ xb]:<yh>[yt^ yb]:a^:[b zt^]<zb> + <a^ b zt^> + + + <xh>[xt^ xb]:<yh>[yt^ yb]:[a^ b zt^] + <b zt^ zb> + + + + + <xh>[xt^ xb]:<yh>[yt^ yb]:<yb>[a.1^]:[b.2 zt^]<zb> + + + <xh>[xt^ xb]:<yh>[yt^ yb]:a.1^:[b.2 zt^]<zb> + <yb a.1^> + + + + + <xh>[xt^ xb]:<yh>[yt^ yb]:a.1^:[b.2 zt^]<zb> + <a.1^ b.2 zt^> + + + <xh>[xt^ xb]:<yh>[yt^ yb]:[a.1^ b.2 zt^] + <b.2 zt^ zb> + + + + + + + + + ( <t^ a> | t^:[a b]:[c]:[d]:e^ | <b c d e^> ) + + + <d> + <c> + <a b> + <b c d e^> + <t^ a> + t^:[a b]:[c]:[d]:e^ + [t^ a]:<a>[b]:[c]:[d]:e^ + [t^ a]:[b c d e^] + t^:[a b]:<b>[c d e^] + + + + + t^:[a b]:[c]:[d]:e^ + <t^ a> + + + [t^ a]:<a>[b]:[c]:[d]:e^ + + + + + t^:[a b]:[c]:[d]:e^ + <b c d e^> + + + t^:[a b]:<b>[c d e^] + <c> + <d> + + + + + [t^ a]:<a>[b]:[c]:[d]:e^ + <b c d e^> + + + [t^ a]:[b c d e^] + <a b> + <c> + <d> + + + + + t^:[a b]:<b>[c d e^] + <t^ a> + + + [t^ a]:[b c d e^] + <a b> + + + + + + + + + ( <t^ a> | t^:[a b]:<q b>[c] ) + + + <a b> + <t^ a> + t^:[a b]:<q b>[c] + [t^ a]:<q>[b c] + + + + + <t^ a> + t^:[a b]:<q b>[c] + + + [t^ a]:<q>[b c] + <a b> + + + + + + + + + ( <t^ a> | t^:[a b]:<a b>[c] ) + + + <a b> + <t^ a> + t^:[a b c] + [t^ a]:<a>[b c] + + + + + <t^ a> + t^:[a b c] + + + [t^ a]:<a>[b c] + + + + + + + + + ( <t^ a> | t^:[a b]:<q>[c d]:<z b c d>[e] ) + + + <a b> + <q c d> + <t^ a> + t^:[a b]:<z b>[c d e] + [t^ a]:<z>[b c d e] + + + + + <t^ a> + t^:[a b]:<z b>[c d e] + + + [t^ a]:<z>[b c d e] + <a b> + + + + + + + + + ( <t^ a> | t^:[a b]:<q>[c d]<x>:<b c d>[e] ) + + + <a b> + <q c d x> + <t^ a> + t^:[a b]:<b>[c d e] + [t^ a]:[b c d e] + + + + + <t^ a> + t^:[a b]:<b>[c d e] + + + [t^ a]:[b c d e] + <a b> + + + + + + + + + ( <t^ a> | t^:[a b]<h>:[c d]<e>:<b c d>[f g] ) + + + <a b h> + <c d e> + <t^ a> + t^:[a b]<h>:<b>[c d f g] + [t^ a]:[b c d f g] + + + + + <t^ a> + t^:[a b]<h>:<b>[c d f g] + + + [t^ a]:[b c d f g] + <a b h> + + + + + + + + + ( <t^ a> | t^:[a b]:[c d]<e>:<b c d>[f g] ) + + + <a b> + <c d e> + <t^ a> + t^:[a b]:<b>[c d f g] + [t^ a]:[b c d f g] + + + + + <t^ a> + t^:[a b]:<b>[c d f g] + + + [t^ a]:[b c d f g] + <a b> + + + + + + + + + ( <t^ a> | t^:[a b]:<b>[c]:<b c>[d] ) + + + <a b> + <b c> + <t^ a> + t^:[a b]:<b>[c d] + [t^ a]:[b c d] + + + + + <t^ a> + t^:[a b]:<b>[c d] + + + [t^ a]:[b c d] + <a b> + + + + + + + + + ( <a b t^ c d> | [b]:t^:[c] ) + + + <c> + <b> + <a b t^ c d> + [b]:t^:[c] + <a>[b t^ c]<d> + + + + + <a b t^ c d> + [b]:t^:[c] + + + <a>[b t^ c]<d> + <b> + <c> + + + + + + + + + ( <a t^ b> | [q]<z>:[z a]:t^ ) + + + <z a> + <a t^ b> + [q z]:<z>[a]:t^ + [q z]:[a t^]<b> + + + + + <a t^ b> + [q z]:<z>[a]:t^ + + + [q z]:[a t^]<b> + <z a> + + + + + + + + + ( <a t^ b> | [a]:t^:<z>[b]:t^:[b]<x y z> ) + + + <z b> + <a> + <b x y z> + <a t^ b> + [a]:t^:<z>[b]:t^:[b]<x y z> + [a t^ b]:t^:[b]<x y z> + [a t^ b]:<a>[t^ b] + [a]:t^:<z>[b]:<a>[t^ b] + + + + + <a t^ b> + [a]:t^:<z>[b]:t^:[b]<x y z> + + + [a]:t^:<z>[b]:<a>[t^ b] + <b x y z> + + + + + <a t^ b> + [a]:t^:<z>[b]:t^:[b]<x y z> + + + [a t^ b]:t^:[b]<x y z> + <a> + <z b> + + + + + <a t^ b> + [a t^ b]:t^:[b]<x y z> + + + [a t^ b]:<a>[t^ b] + <b x y z> + + + + + <a t^ b> + [a]:t^:<z>[b]:<a>[t^ b] + + + [a t^ b]:<a>[t^ b] + <a> + <z b> + + + + + + + + + ( < t^ b> | t^:[b c] ) + + + <t^ b> + t^:[b c] + [t^ b]:<b>[c] + + + + + <t^ b> + t^:[b c] + + + [t^ b]:<b>[c] + + + + + + + + + ( [b]:<b>[c] ) + + + <b> + [b c] + + + + + + + + + ( <t^ a> | t^:[a]:[b]<c>:[c] ) + + + <a> + <c> + <t^ a> + t^:[a]:[b c] + [t^ a]:[b c] + + + + + <t^ a> + t^:[a]:[b c] + + + [t^ a]:[b c] + <a> + + + + + + + + + ( [a]<b>:[b c]:<c>[e] ) + + + <b c> + [a b]:[c e] + + + + + + + + + ( [a]<b^>:b^ ) + + + [a b^] + + + + + + + + + ( <t^ a> | t^:[a b]:u^:<b u^>[c d] ) + + + <a b> + <t^ a> + t^:[a b]:<b>[u^ c d] + [t^ a]:[b u^ c d] + + + + + <t^ a> + t^:[a b]:<b>[u^ c d] + + + [t^ a]:[b u^ c d] + <a b> + + + + + + + + + ( [a]<z u^ b>:[z]:u^:[b c]:t^ | <c t^> ) + + + <b c> + <c t^> + <z> + [a z u^ b]:<b>[c]:t^ + [a z u^ b]:[c t^] + + + + + <c t^> + [a z u^ b]:<b>[c]:t^ + + + [a z u^ b]:[c t^] + <b c> + + + + + + + + + ([a]<u^ b>:u^:[b]) + + + <b> + [a u^ b] + + + + + + + + + ( t^:u^:[a] | <t^ u^ a> ) + + + <a> + <t^ u^ a> + t^:u^:[a] + [t^ u^ a] + + + + + <t^ u^ a> + t^:u^:[a] + + + [t^ u^ a] + <a> + + + + + <t^ u^ a> + t^:u^:[a] + + + [t^ u^ a] + <a> + + + + + + + + + ( [a]<t^ b c d>:t^:[b c d e] ) + + + [a t^ b c d]:<b c d>[e] + + + + + + + + + ( <t^ a u^> | t^:<q>[a]<b>:u^ ) + + + <t^ a u^> + t^:<q>[a]<b>:u^ + [t^ a u^] + <q a b> + + + + + <t^ a u^> + t^:<q>[a]<b>:u^ + + + [t^ a u^] + <q a b> + + + + + <t^ a u^> + t^:<q>[a]<b>:u^ + + + [t^ a u^] + <q a b> + + + + + + + + + ( <t^ a u^ b> | t^:[a]:u^:[b] ) + + + <t^ a u^ b> + t^:[a]:u^:[b] + [t^ a u^ b] + <a> + <b> + + + + + <t^ a u^ b> + t^:[a]:u^:[b] + + + [t^ a u^ b] + <a> + <b> + + + + + <t^ a u^ b> + t^:[a]:u^:[b] + + + [t^ a u^ b] + <a> + <b> + + + + + + + + + ( [a]<b c u^>:[b c]:u^:[d] ) + + + <b c> + [a b c u^]:[d] + + + + + + + + + ( [a]<t^ b c d e>:t^:[b c d e] ) + + + <b c d e> + [a t^ b c d e] + + + + + + + + + ( [a]<b c t^ d e>:[b c]:t^:[d] ) + + + [a b c t^ d]<e> + <b c> + <d> + + + + + + + + + ( a^:[b c]:u^:[d] | <a^ b c u^> ) + + + a^:[b c]:u^:[d] + <a^ b c u^> + [a^ b c u^]:[d] + <b c> + + + + + a^:[b c]:u^:[d] + <a^ b c u^> + + + [a^ b c u^]:[d] + <b c> + + + + + a^:[b c]:u^:[d] + <a^ b c u^> + + + [a^ b c u^]:[d] + <b c> + + + + + + + + + ( a^:t^:[b c d e] | <a^ t^ b c d e> ) + + + a^:t^:[b c d e] + <a^ t^ b c d e> + [a^ t^ b c d e] + <b c d e> + + + + + a^:t^:[b c d e] + <a^ t^ b c d e> + + + [a^ t^ b c d e] + <b c d e> + + + + + a^:t^:[b c d e] + <a^ t^ b c d e> + + + [a^ t^ b c d e] + <b c d e> + + + + + + + + + ( a^:[b c]:t^:[d] | <a^ b c t^ d e> ) + + + a^:[b c]:t^:[d] + <a^ b c t^ d e> + [a^ b c t^ d]<e> + <b c> + <d> + + + + + a^:[b c]:t^:[d] + <a^ b c t^ d e> + + + [a^ b c t^ d]<e> + <b c> + <d> + + + + + a^:[b c]:t^:[d] + <a^ b c t^ d e> + + + [a^ b c t^ d]<e> + <b c> + <d> + + + + + + + + + ( < a b^ c> | b^ ) + + + <a b^ c> + b^ + <a>[b^]<c> + + + + + <a>[b^]<c> + + + b^ + <a b^ c> + + + + + + + + + ( <a>[b c]<d> | <q b c z> ) + + + <q b c z> + <a b c d> + <a>[b c]<d> + <q>[b c]<z> + + + + + <a>[b c]<d> + <q b c z> + + + <q>[b c]<z> + <a b c d> + + + + + + + + + ( <a>[b c]<d>:<c>[e f] | <q b e> ) + + + <a>[b c]<d>:<c>[e f] + <q b e> + <q>[b]<e>:[c e f] + <a b c d> + + + + + <a>[b c]<d>:<c>[e f] + <q b e> + + + <q>[b]<e>:[c e f] + <a b c d> + + + + + + + + + ( <a>[t^ b]<c> | <y b z> ) + + + <a>[t^ b]<c> + <y b z> + t^:<y>[b]<z> + <a t^ b c> + + + + + <a>[t^ b]<c> + <y b z> + + + t^:<y>[b]<z> + <a t^ b c> + + + + + t^:<y>[b]<z> + <a t^ b c> + + + <a>[t^ b]<c> + <y b z> + + + + + + + + + + ( <a>[b c t^]<d> | <q b c> ) + + + <a>[b c t^]<d> + <q b c> + <q>[b c]:t^ + <a b c t^ d> + + + + + <a>[b c t^]<d> + <q b c> + + + <q>[b c]:t^ + <a b c t^ d> + + + + + <q>[b c]:t^ + <a b c t^ d> + + + <a>[b c t^]<d> + <q b c> + + + + + + + + + + ( <a>[t^ b u^]<c> | <b> ) + + + <a>[t^ b u^]<c> + <b> + t^:[b]:u^ + <a t^ b u^ c> + + + + + <a>[t^ b u^]<c> + <b> + + + t^:[b]:u^ + <a t^ b u^ c> + + + + + t^:[b]:u^ + <a t^ b u^ c> + + + <a>[t^ b u^]<c> + <b> + + + + + t^:[b]:u^ + <a t^ b u^ c> + + + <a>[t^ b u^]<c> + <b> + + + + + + + + + + ( <a>[t^ u]<c> | <u> | <t^ u z> ) + + + <a>[t^ u]<c> + <u> + <t^ u z> + t^:[u] + <a t^ u c> + [t^ u]<z> + + + + + <a>[t^ u]<c> + <u> + + + t^:[u] + <a t^ u c> + + + + + <a>[t^ u]<c> + <t^ u z> + + + [t^ u]<z> + <a t^ u c> + + + + + [t^ u]<z> + <u> + + + <t^ u z> + t^:[u] + + + + + t^:[u] + <a t^ u c> + + + <a>[t^ u]<c> + <u> + + + + + t^:[u] + <t^ u z> + + + [t^ u]<z> + <u> + + + + + + + + + + ( <a>[b]<c>:<d>[t^ e f] | <b e f> ) + + + <a>[b]<c>:<d>[t^ e f] + <b e f> + [b]<e f>:<d>[t^ e f] + <a b c> + <a>[b]<c>:t^:<b>[e f] + <d t^ e f> + [b]<e f>:t^:<b>[e f] + + + + + <a>[b]<c>:<d>[t^ e f] + <b e f> + + + [b]<e f>:<d>[t^ e f] + <a b c> + + + + + <a>[b]<c>:<d>[t^ e f] + <b e f> + + + <a>[b]<c>:t^:<b>[e f] + <d t^ e f> + + + + + <b e f> + [b]<e f>:<d>[t^ e f] + + + <d t^ e f> + [b]<e f>:t^:<b>[e f] + + + + + <a>[b]<c>:t^:<b>[e f] + <d t^ e f> + + + <a>[b]<c>:<d>[t^ e f] + <b e f> + + + + + <d t^ e f> + [b]<e f>:t^:<b>[e f] + + + <b e f> + [b]<e f>:<d>[t^ e f] + + + + + <a b c> + [b]<e f>:t^:<b>[e f] + + + <b e f> + <a>[b]<c>:t^:<b>[e f] + + + + + + + + + + ( [a]<b> | <a b> ) + + + [a]<b> + <a b> + + + + + + + + + ( [b]<c>:[x y z] | <b x> ) + + + [b]<c>:[x y z] + <b x> + [b x]:<x>[y z] + <b c> + + + + + [b]<c>:[x y z] + <b x> + + + [b x]:<x>[y z] + <b c> + + + + + + + + + ( [b]<c>:[x y z] | <b x y z q> ) + + + [b]<c>:[x y z] + <b x y z q> + [b x y z]<q> + <b c> + <x y z> + + + + + [b]<c>:[x y z] + <b x y z q> + + + [b x y z]<q> + <b c> + <x y z> + + + + + + + + + + ( <a>[b]<c>:t^ | <z b t^> ) + + + <a>[b]<c>:t^ + <z b t^> + <z>[b t^] + <a b c> + + + + + <a>[b]<c>:t^ + <z b t^> + + + <z>[b t^] + <a b c> + + + + + <z>[b t^] + <a b c> + + + <a>[b]<c>:t^ + <z b t^> + + + + + + + + + + directive sample 7000.0 1000 + new s3@ 4.2E-7 , 4.0E-2 + new s5@ 6.5E-7 , 4.0E-3 + ( 7800 * <s2 s3^ s4> + | 6000 * <s4 s5^> + | 6000 * <s1>[s2]:<s6>[s3^ s4]:s5^ + ) + + + <s2 s3^ s4> + <s4 s5^> + <s1 s2> + <s6 s3^ s4> + <s1>[s2]:<s6>[s3^ s4]:s5^ + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + <s1>[s2]:s3^:[s4 s5^] + [s2 s3^ s4]:<s4>[s5^] + [s2 s3^ s4]:s5^ + + + + + <s1>[s2]:<s6>[s3^ s4]:s5^ + <s4 s5^> + + + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + + + + + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + + + <s1>[s2]:s3^:[s4 s5^] + <s6 s3^ s4> + + + + + <s1>[s2]:s3^:[s4 s5^] + <s2 s3^ s4> + + + [s2 s3^ s4]:<s4>[s5^] + <s1 s2> + + + + + [s2 s3^ s4]:<s4>[s5^] + + + [s2 s3^ s4]:s5^ + <s4 s5^> + + + + + <s1>[s2]:<s6>[s3^ s4]:s5^ + <s2 s3^ s4> + + + [s2 s3^ s4]:s5^ + <s1 s2> + <s6 s3^ s4> + + + + + <s1>[s2]:<s6>[s3^ s4]:s5^ + <s4 s5^> + + + <s1>[s2]:s3^:[s4 s5^] + <s6 s3^ s4> + + + + + <s1>[s2]:<s6>[s3^ s4]:<s4>[s5^] + <s2 s3^ s4> + + + [s2 s3^ s4]:<s4>[s5^] + <s1 s2> + <s6 s3^ s4> + + + + + [s2 s3^ s4]:<s4>[s5^] + <s1 s2> + + + <s1>[s2]:s3^:[s4 s5^] + <s2 s3^ s4> + + + + + <s1>[s2]:s3^:[s4 s5^] + <s2 s3^ s4> + + + [s2 s3^ s4]:s5^ + <s4 s5^> + <s1 s2> + + + + + + + + + + ( <L1>[S1]<N1^ R1>:[N1^ S N2^]:<L2 N2^>[S2]<R2> | <S> ) + + + <S> + <N1^ S N2^> + <L1>[S1 N1^]<R1>:<N1^>[S N2^]:<L2 N2^>[S2]<R2> + <L1>[S1 N1^]<R1>:[S]:<L2>[N2^ S2]<R2> + + + + + <L1>[S1 N1^]<R1>:<N1^>[S N2^]:<L2 N2^>[S2]<R2> + <S> + + + <L1>[S1 N1^]<R1>:[S]:<L2>[N2^ S2]<R2> + <N1^ S N2^> + + + + + + + + + ( <t^ a> | t^:[a u^]<b> ) + + + <t^ a> + t^:[a u^]<b> + [t^ a]:u^ + <a u^ b> + + + + + <t^ a> + t^:[a u^]<b> + + + [t^ a]:u^ + <a u^ b> + + + + + + + + + diff --git a/ClassicDSD/ClassicDSDTests/DSDGenerators.fs b/ClassicDSD/ClassicDSDTests/DSDGenerators.fs new file mode 100644 index 0000000..2b30033 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/DSDGenerators.fs @@ -0,0 +1,152 @@ +module Microsoft.Research.DNA.DSDGenerators + +open FsCheck + +open Microsoft.Research.DNA + +module BMEValue = Microsoft.Research.CRNEngine.Expression + + +//------------- +// Generators for FsCheck + +// Basics +let gen_bool = Arb.generate +let gen_int = Arb.generate +let gen_float = Arb.generate |> Gen.map float +let gen_var = Gen.oneof [ gen { return "s" }; gen { return "t" }; gen { return "u" } ] +let gen_complementarity = + Gen.choose (0, 100000) |> Gen.map (fun i -> (float i) / 100000.0) + +let dsd_prim s = + let rec sized s = + match s with + | 0 -> Gen.oneof [ Gen.map BMEValue.Float gen_float + Gen.map BMEValue.Key gen_var ] + | n when n > 0 -> + let exp = sized (n/2) + Gen.oneof [ Gen.map2 (fun a b -> BMEValue.Plus [a; b]) exp exp + Gen.map2 (fun a b -> BMEValue.Minus {sub1=a; sub2=b}) exp exp + Gen.map2 (fun a b -> BMEValue.Times [a; b]) exp exp + Gen.map2 (fun a b -> BMEValue.Divide {div1=a; div2=b}) exp exp + Gen.map BMEValue.Absolute exp + Gen.map BMEValue.Key gen_var + Gen.map BMEValue.Float gen_float + Gen.map2 (fun a b -> BMEValue.Power {base_=a; exponent=b}) exp exp ] + | _ -> invalidArg "s" "Only positive arguments are allowed" + Gen.sized sized + +// Species +let dsd_domain s = + let p = dsd_prim (s/2) + let n = Gen.oneof [ gen { return "x" }; gen { return "y" }; gen { return "z" } ] + let d = Gen.map3 (fun n v1 v2 -> Value.Domain (n, 0, v1, v2, None)) n p p + Gen.oneof [ Gen.map (fun v -> Domain.Toe (v, Value.Float (1.0, None), false, None)) d + Gen.map2 (fun v r -> Domain.Toe (v, Value.Float (r, None), true, None)) d gen_complementarity + Gen.map2 (fun v b -> Domain.Normal (v, false, None)) d gen_bool ] (* false rather than b to avoid exposing complementary non-toehold domains *) + +let no_tags: Domain.tag list = [] +let dsd_tether = Gen.choose (0, 30) |> Gen.map (fun i -> (no_tags, i)) + +let dsd_domain_tethered s = + Gen.map (fun t -> Domain.Normal (Value.Variable ("tether",Types.emprange), false, Some t)) dsd_tether + +let dsd_domain_list s = + let s = s|>float|>sqrt|>int + Gen.nonEmptyListOf (dsd_domain s) |> Gen.resize s + +let dsd_strand s = + let ds = dsd_domain_list s + Gen.oneof [ Gen.map Strand.Upper ds + Gen.map Strand.Lower ds ] + +let dsd_strand_tethered_left s = + let ds = Gen.map2 (fun x xs -> x::xs, x) (dsd_domain_tethered s) (dsd_domain_list s) + Gen.oneof [ Gen.map (fun (l, t) -> Strand.Upper l, t) ds + Gen.map (fun (l, t) -> Strand.Lower l, t) ds ] + +let dsd_segment_middle s = + let ds = dsd_domain_list (s/5) + Gen.map5 (fun lb lt s rt rb -> Segment.Double (lb, lt, s, rt, rb)) ds ds ds ds ds + +let dsd_hairpin_left s = + let ds = dsd_domain_list (s/4) + Gen.map4 (fun ob ot s hp -> Segment.Hairpin (ob, ot, s, hp, Segment.Left)) ds ds ds ds + +let dsd_hairpin_right s = + let ds = dsd_domain_list (s/4) + Gen.map4 (fun ob ot s hp -> Segment.Hairpin (ob, ot, s, hp, Segment.Right)) ds ds ds ds + +let dsd_segment s = + Gen.oneof [ dsd_segment_middle s + dsd_hairpin_left s + dsd_hairpin_right s ] + +let dsd_segment_left s = + Gen.oneof [ dsd_segment_middle s + dsd_hairpin_left s ] + +let dsd_segment_right s = + Gen.oneof [ dsd_segment_middle s + dsd_hairpin_right s ] + +let dsd_segments_middle s = + let s = s|>float|>sqrt|>int + Gen.nonEmptyListOf (dsd_segment_middle s) |> Gen.resize s + +let dsd_segments_left s = + let x = Gen.eval s (Random.newSeed ()) (dsd_segment_left s) + let s = s|>float|>sqrt|>int + let xs = Gen.eval s (Random.newSeed ()) (dsd_segment_middle s |> Gen.listOf) + gen { return x::xs } + +let dsd_segments_right s = + let x = Gen.eval s (Random.newSeed ()) (dsd_segment_right s) + let s = s|>float|>sqrt|>int + let xs = Gen.eval s (Random.newSeed ()) (dsd_segment_middle s |> Gen.listOf) + gen { return xs@[x] } + +let dsd_gate_left s = + let x = Gen.eval s (Random.newSeed ()) (dsd_segments_left s) + let s = s|>float|>sqrt|>int + let xs = Gen.eval s (Random.newSeed ()) (dsd_segments_middle s |> Gen.listOf) + gen { return x::xs } + +let dsd_gate_right s = + let x = Gen.eval s (Random.newSeed ()) (dsd_segments_right s) + let s = s|>float|>sqrt|>int + let xs = Gen.eval s (Random.newSeed ()) (dsd_segments_middle s |> Gen.listOf) + gen { return xs@[x] } + +let dsd_gate s = + Gen.oneof [ dsd_gate_left s + dsd_gate_right s ] + +let dsd_content_strand s = + Gen.map (fun (s, _) -> Origami.C_strand s) (dsd_strand_tethered_left s) + +let dsd_content_gate s = + Gen.map (fun g -> Origami.C_gate g) (dsd_gate s) + +let dsd_content s = + Gen.oneof [ dsd_content_strand s + (* dsd_content_gate s *)] + +let dsd_origami s = dsd_content s |> Gen.listOf + +let dsd_species = + let rec sized s = + match s with + | 0 -> Gen.map Species.STRAND (dsd_strand s) + | n when n > 0 -> Gen.oneof [ Gen.map Species.STRAND (dsd_strand s) + Gen.map Species.GATE (dsd_gate s) + Gen.map Species.ORIGAMI (dsd_origami s) ] + | _ -> invalidArg "s" "Only positive arguments are allowed" + Gen.sized sized + +// Reactions + + +// Main +type Generators = + static member Species() = Arb.fromGen dsd_species diff --git a/ClassicDSD/ClassicDSDTests/DSDUnitTests.fs b/ClassicDSD/ClassicDSDTests/DSDUnitTests.fs new file mode 100644 index 0000000..9cec03d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/DSDUnitTests.fs @@ -0,0 +1,2895 @@ +module Microsoft.Research.DNA.DSDUnitTests + +open FsUnit +open Xunit + +open System.IO +open Microsoft.Research.CRNEngine.Jit +open Microsoft.Research.DNA +open Microsoft.Research.DNA.Dsd +open Microsoft.Research.CRNEngine +open RulesDSD + +let cle = Microsoft.Research.DNA.LogicDSD.engine + +[] +let testJitCtmc () = + // This model cannot be expanded without JIT. + let code = """directive simulation {final=600} + directive simulator stochastic + directive jit + directive polymers + directive parameters [k=0.003;u=0.1] + directive compilation infinite + dom tb = {bind=k;unbind=u;colour="red"} + dom tx = {bind=k;unbind=u;colour="green"} + dom to = {bind=k;unbind=u;colour="blue"} + def Input1() = + def Input2() = + def Join() = {tb^*}[x tx^]:[x]{to^> + def Reporter() = failwith "" + | Choice1Of2 jit -> + let calculus = Dsd.makeDsdCalculus bundle + let result,_ = Jit.to_ctmc jit calculus + let states = result.ctmc.graph.Count + let transitions = result.ctmc.graph |> Seq.map (fun k -> List.length k.Value) |> Seq.sum + let expectedStates = 32 + let expectedTransitions = 68 + if states <> expectedStates then failwithf "expected %d states, found %d" expectedStates states + if transitions <> expectedTransitions then failwithf "expected %d transitions, found %d" expectedTransitions transitions + () + +[] +let testPolExo () = + let code = """directive jit +directive simulation {final = 10; plots = []} +directive rules { +reaction([P],"pol",Q) :- + P = C [b>], + Q = C [b b>]. + +reaction([P],"exo",Q) :- + P = C [b b>], + Q = C [b>]. + +} +directive parameters [ pol = 0.3; exo = 1 ] +( 10 [] )""" + let bundle = code |> Dsd.parse + match bundle |> Dsd.to_jit with + | Choice1Of2 _ -> failwith "" + | Choice2Of2 jit -> + let (guiBundle,_) = JSAPI.parser "" "" code + let calculus = bundle |> Dsd.to_rules_calculus + let crn = Dsd.convert_unexpanded guiBundle + let plots = ref (List.map (fun p -> (Functional2.to_string p, new System.Collections.Generic.List())) crn.settings.simulation.plots |> List.toArray) + let addRow (row:row) = + if row.values.Length <> (!plots).Length then failwith "row has wrong length" else + Array.iteri (fun i f -> match (!plots).[i] with (_,l) -> l.Add f) row.values + let addPlottable (p:newplottable) = + let newList = Array.zeroCreate (match (!plots).[0] with (_,l) -> l.Count) + plots := Array.append !plots [|(p.name, new System.Collections.Generic.List(newList))|] + Jit.simulate_callback + (ref false) + addRow + addPlottable + jit + calculus + () + +[] +let convTest1 () = + let code = """ + directive simulation {final = 1} + directive rules {} + (1 * [a b c] + | 1 * [ | ]) + """ + let x = Dsd.compile code + Assert.True(x.initials.Length = 1) + +[] +let convTest2 () = + let code = """ + directive simulation {final = 1} + directive rules {} + (1 * {a b}[e f]{i j}) + """ + let x = Dsd.compile code + Assert.Equal(" | ", x.attributes.["sp_0"].structure) + +[] +let convTest5 () = + let code = """ + directive simulation {final = 1} + directive rules {} + (1 * {a b}[e f]{g h>) + """ + let x = Dsd.compile code + Assert.Equal("", x.attributes.["sp_0"].structure) + +[] +let convTest6 () = + let code = """ + directive simulation {final = 1} + directive rules {} + (1 * {g h}) + """ + let x = Dsd.compile code + Assert.Equal("", x.attributes.["sp_0"].structure) + +[] +let convTest3 () = + let code = """ + directive simulation {final = 1} + directive rules {} + (1 * {a1 b1}[e1 f1]{i1 j1}::{a2 b2}[e2 f2]{i2 j2}) + """ + let x = Dsd.compile code + Assert.Equal(" | | ", x.attributes.["sp_0"].structure) + +[] +let convTest4 () = + let code = """ + directive simulation {final = 1} + directive rules {} + (1 * {a1 b1}[e1 f1]{i1 j1}:{a2 b2}[e2 f2]{i2 j2}) + """ + let x = Dsd.compile code + Assert.Equal(" | | ", x.attributes.["sp_0"].structure) + + +[] +let convTest7 () = + let code = """ + directive simulation {final = 1} + directive rules {} + (1 * {a1 b1}[e1 f1]{i1 j1}:{a2 b2}[e2 f2]{g2 h2>) + """ + let x = Dsd.compile code + Assert.Equal(" | ", x.attributes.["sp_0"].structure) + +[] +let convTest8 () = + let code = """ + directive simulation {final = 1} + directive rules {} + (1 * {g1 h1}:{a2 b2}[e2 f2]{i2 j2}) + """ + let x = Dsd.compile code + Assert.Equal(" | ", x.attributes.["sp_0"].structure) + + +[] +let plots1 () = + let code = """ +directive rules {} +directive parameters [ +bind = 1; +] +directive simulation { final=150000; plots=[ [A()]-[A'()]; [B()]-[B'()]; [C()]-[C'()] ]} +def A() = [] +def A'() = [] +def B() = [] +def B'() = [] +def C() = [] +def C'() = [] + +( 1 A() +| 1 A'() +| 1 B() +| 1 B'() +| 1 C() +| 1 C'() +) +""" + let x = Dsd.compile code + Assert.Equal(3, x.settings.simulation.plots.Length) + +let runJitTest callback fileName = + let (+/) a b = TestUtils.(+/) a b + let projectDir = Directory.GetParent(Directory.GetCurrentDirectory()).Parent.Parent.Parent.FullName.Trim [|' ';'\r';'\n';'\t'|] + let filePath = TestUtils.TEST_FOLDER +/ TestUtils.VISUAL_DSD +/ fileName + let fileContent = File.ReadAllText (projectDir +/ filePath) + let text = SLConversion.convertSL fileContent + let bundle = Dsd.parse text + let options = Dsd.get_options bundle + let options = { options with is_jit = true } + let bundle = Dsd.set_options bundle options + let jit = match Dsd.to_jit bundle with Choice1Of2 jit -> jit | _ -> failwith "this test is not for Rules JIT" + let calculus = Dsd.makeDsdCalculus bundle + + if callback then + let initialCRN = Dsd.convert_unexpanded bundle + let mutable plotsCount = List.length initialCRN.settings.simulation.plots + let outputplottable p = plotsCount <- plotsCount + 1 + // Ensure that the number of columns remains consistant with the number of plottables at all times. + let output (r:Microsoft.Research.CRNEngine.Row) = Assert.Equal (plotsCount, (Array.length r.values)) + Microsoft.Research.CRNEngine.Jit.simulate_callback (ref false) output outputplottable jit calculus + else + let _, results = Microsoft.Research.CRNEngine.Jit.simulate jit calculus + // print the results table, for debugging purposes + let stringTab = Microsoft.Research.CRNEngine.Table.to_string "\t" (fun x -> x.ToString()) results + ignore stringTab + +[] +let ``JIT, Hairpin-free HCR`` () = runJitTest false "Simple - Hairpin-free HCR.vdsd" + +[] +let ``JIT, Monomers`` () = runJitTest false "Simple - Monomers.vdsd" + +[] +let ``JIT, Stack Machine`` () = runJitTest false "Stack Machine, DNA17 - Ripple carry adder.vdsd" + +[] +let ``JIT, Catalytic, Callback`` () = runJitTest true "Scienze 2007 - Catalytic.vdsd" + +[] +let ``JIT, Catalytic Directives, Callback`` () = runJitTest true "Scienze 2007 - Catalytic Directives.vdsd" + +[] +let testJit () = + let code = """(* + Demonstration of cascading: + Out = 1000 if (((#A >= 1) && (#B >= 1)) || (#C >= 1)) && (#D ~<~ 100) and otherwise 0 + where ~<~ means roughly less than, i.e. we're OK if it doesn't work perfectly near 100. + + In practice, the system below behaves well unless D is roughly between 95 and 105 +*) +directive simulation { final=30000; points=1000; plots = [; ; ; ; < _ h^ X>; ; <4 5^ 2>] } +directive simulator stochastic +directive jit +(* just-in-time network enumeration is primarily useful for polymers, +but also incidentally turns on the Export/Final panel, which can be nice *) +directive compilation infinite + +( 0 * (* input A *) +| 0 * (* input B *) +| 10 * (* input C *) +| 95 * (* input D *) +(* translate A into Y and B into Z while keeping low copy numbers *) +| 1 * {a^*}[A i^] +| 1 * {b^*}[B j^] +(* our previous AND gate "from the refrigerator": X = Y AND Z *) +| 1 * {j^*}[Z i^]:[Y h^] +(* a "wire-OR" via translating C to X *) +| 1 * {c^*}[C h^] +(* a threshold to absorb the first 100 of D and simultaneously deplete W *) +| 200 * {d^*}[D k^]:[W] +| 100 * +| 200 * [D]{k^*} +(* remaining W, if any, can enable X to transform into pre-autocatalyst *) +| 1 * {h^*}[X k^]:[W]<1^> +| 10 * +(* translate pre-autocatalyst to the input of an autocatalyst from our "refrigerator" *) +| 1 * <4>[5^ W]{1^*} +(* here is our autocatalyst <4 5^ 2> ; it can be triggered by any *) +| 1300 * <5^ 2 3^ 4> +| 1000 * <4>[5^ 2]:<6>[3^ 4]{5^*} +)""" + + let (guiBundle,_) = JSAPI.parser "" "" code + let jit = match Dsd.to_jit guiBundle with Choice1Of2 c -> c | _ -> failwith "this test should not produce a Rules bundle" + let calculus = Dsd.makeDsdCalculus guiBundle + let crn = Dsd.convert_unexpanded guiBundle + let plots = ref (List.map (fun p -> (Functional2.to_string p, new System.Collections.Generic.List())) crn.settings.simulation.plots |> List.toArray) + let addRow (row:row) = + if row.values.Length <> (!plots).Length then failwith "row has wrong length" else + Array.iteri (fun i f -> match (!plots).[i] with (_,l) -> l.Add f) row.values + let addPlottable (p:newplottable) = + let newList = Array.zeroCreate (match (!plots).[0] with (_,l) -> l.Count) + plots := Array.append !plots [|(p.name, new System.Collections.Generic.List(newList))|] + Jit.simulate_callback + (ref false) + addRow + addPlottable + jit + calculus + () + + +[] +let testJitEmptyPlots () = + let code = """directive jit +directive simulation { final = 600; } +directive parameters [ k = 0.003; u = 0.1; ] +directive compilation infinite +dom tb = {bind = k; unbind = u; colour = "red"} +dom tx = {bind = k; unbind = u; colour = "green"} +dom to = {bind = k; unbind = u; colour = "blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +)""" + let (guiBundle,_) = JSAPI.parser "" "" code + let jit = match Dsd.to_jit guiBundle with Choice1Of2 c -> c | _ -> failwith "this test should not produce a Rules bundle" + let calculus = Dsd.makeDsdCalculus guiBundle + let crn = Dsd.convert_unexpanded guiBundle + let plots = ref (List.map (fun p -> (Functional2.to_string p, new System.Collections.Generic.List())) crn.settings.simulation.plots |> List.toArray) + let addRow (row:row) = + if row.values.Length <> (!plots).Length then failwith "row has wrong length" else + Array.iteri (fun i f -> match (!plots).[i] with (_,l) -> l.Add f) row.values + let addPlottable (p:newplottable) = + let newList = Array.zeroCreate (match (!plots).[0] with (_,l) -> l.Count) + plots := Array.append !plots [|(p.name, new System.Collections.Generic.List(newList))|] + Jit.simulate_callback + (ref false) + addRow + addPlottable + jit + calculus + () + +[] +let ``Melting with non-trivial double segment`` () = +// let catalytic = +// "new 3@ 4.2E-4 , 4.0E-2 +// new 5@ 6.5E-4 , 4.0E-3 +// ( 13 * <2 3^ 4> +// | 10 * <4 5^> +// | 10 * <1>[2]:<6>[3^ 4]{5^*} +// )" +// let t1 = compile catalytic + +// let v1 = "[ (a, 100000); (b, 100000) ]" +// let v1p = Parser.from_string Option.localConc v1 + + let t2text = """ directive localconcentrations [ (a, 100000); (b, 100000) ] + directive polymers + + dom a0 = { colour = "red" } + dom x = { colour = "green" } + dom y = { colour = "blue" } + dom r = { colour = "purple" } + dom Q = { colour = "black" } + dom F = { colour = "black" } + + def input() = + def fuel() = [s*]{x^> + def probe() = [s*]{F^} + def origami() = [[ {tether(a) a0^*}[s]{y^> + | {tether(a,b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]] + def reporter() = {s F^} + + ( input() + | 2 of fuel() + | probe() + | origami() + | 0 of reporter() + ) + """ + let t2' = compile t2text + +// let transmission_lines = +// """directive polymers +// directive localconcentrations [(a,100000);(b,100000)]dom a0 = { colour = "red" } +// dom x = { colour = "green" } +// dom y = { colour = "blue" } +// dom r = { colour = "purple" } +// dom Q = { colour = "black" } +// dom F = { colour = "black" } +// +// def input() = +// def fuel() = [s*]{x^> +// def probe() = [s*]{F^} +// def origami() = [[ {tether(a) a0^*}[s]{y^> +// | {tether(a,b) x^*}[s]{y^> +// | {tether(b) x^*}[s]{r^> ]] +// def reporter() = {s F^} +// +// ( input() +// | 2 of fuel() +// | probe() +// | origami() +// | 0 of reporter() +// )""" + +// let t2 = compile transmission_lines + + let test = + """({y}[z] | [z]{y} | [z]{y} | {b}[z]{y}:[z]{y} | [z]{y}::[z]{y})""" + + let crn = Dsd.compile test + () +// crn |> Crn.to_string |> printfn "Compiled CRN:\n%s\n---" + +// let style = "" +// let svg = crn |> Crn.to_svg |> Svg.to_string style +// System.IO.File.WriteAllText ("crn.svg", svg) +// +// printfn "Wrote file crn.svg" +// +// System.Console.ReadLine () |> ignore; +// 0 + + +// let opts = Options.default_options +// let s = +// "{x*}[z^*x1]{z3^x2}::{y3^z1}[y2]{x*}" +// |> D.parse +//// |> List.collect Species.melt +// let strands = +// [ "{x* z^ x1* z3^ x2}" +// ; "" +// ; "{y3^ z1 y2* x*}" ] +// |> List.collect (parse_species opts) +// Lib.is_permutation (Species.equal opts) s strands +// |> should be (equal true) + +[] +let ``directive rendermode`` () = + let text x = """directive rendering {renderer = classic ; mode = """ + x + """} + + dom a0 = { colour = "red" } + dom x = { colour = "green" } + dom y = { colour = "blue" } + dom r = { colour = "purple" } + dom Q = { colour = "black" } + dom F = { colour = "black" } + + def input() = + def fuel() = [s*]{x^> + def probe() = [s*]{F^} + def reporter() = {s F^} + + ( input() + | 2 of fuel() + | probe() + | 0 of reporter() + ) + """ + text "complement" |> compile |> ignore + text "condensed" |> compile |> ignore + text "nucleotides" |> compile |> ignore + + +[] +let ``position in type errors`` () = + let code = """ + directive parameters [b=0] + def m(a) = + ( m(b) ) + """ + + try code |> Dsd.parse |> ignore + with + | :? Microsoft.Research.DNA.Errors.DSDException as e -> Assert.Equal(e.BeginPos, Some(3,2)) + | e -> raise e + + +[] +let ``origami, reactions count`` () = + let code = """ +directive localconcentrations + [ (l1,local); (l2,local); (l3,local); (l4,local); (l5,local); (l6,local); (l7,local7); (l,local); (ds,localds) + ; (lv,local); (vds,localds); (vds3,localds3); (vds4,localds4) + ; (t1,localt); (t2,localt)] +directive polymers +directive parameters [ + ka=1.0; + kx=1.0; + kfr=1.0; + ky=1.0; + kyl=1.0; + ky2=1.0; + kf=1.0; + kl=1.0; + + local=1.0; + local7=1.0; + localds=1.0; + localds3=1.0; + localds4=1.0; + localt=1.0; + ro=1.0; + rt=1.0; + kt=1.0; + + NF=0.0; + NI=0.0; + NS=0.0; + NR=0.0; + ] + + +dom a = { colour = "blue"; bind = ka; unbind = 0.0 } +dom a0 = { colour = "blue"; bind = ka; unbind = 0.0 } +dom b0 = { colour = "blue"; bind = ka; unbind = 0.0 } +dom c0 = { colour = "blue"; bind = ka; unbind = 0.0 } +dom f = { colour = "green"; bind = kf; unbind = 0.0 } +dom fc = { colour = "purple"; bind = kf; unbind = 0.0 } +dom xs = { colour = "orange"; bind = kx*ro; unbind = 0.0 } +dom i = { colour = "orange"} +dom x = { colour = "orange"; bind = kx; unbind = 0.0; subdomains = [xs;i] } +dom xc = { colour = "brown"; bind = kx; unbind = 0.0 } +dom y = { colour = "red"; bind = ky; unbind = 0.0 } +dom y2 = { colour = "red"; bind = ky2; unbind = 0.0 } +dom th = { colour = "purple"; bind = kt; unbind = 0.0 } +dom Q = { colour = "black" } +dom F = { colour = "yellow" } +new s + +def Fuel() = {f^*}[s]{i^* xs^*> +def Input() = [s*]{f^> +def Output() = {t}[s*]{y^> +def HP2() = [[ Input() | Output()]] +def Reporter() = {y^*}[s t]{F^} +def Strand() = {a0^ s} +( NF * Fuel() +| NI * HP2() +| NR * Reporter() +| NS * Strand() +) """ +// let code = """ +//directive localconcentrations +// [ (l1,local); (l2,local); (l3,local); (l4,local); (l5,local); (l6,local); (l7,local7); (l,local); (ds,localds) +// ; (lv,local); (vds,localds); (vds3,localds3); (vds4,localds4) +// ; (t1,localt); (t2,localt)] +//directive polymers +//dom a0 = { colour = "blue"; bind = 1.0; unbind = 0.0 } +//dom f = { colour = "green"; bind = 1.0; unbind = 0.0 } +//dom xs = { colour = "orange"; bind = 1.0; unbind = 0.0 } +//dom y = { colour = "red"; bind = 1.0; unbind = 0.0 } +//new s +//([[ [a0^* s*]::[f^ s]{xs^* s} | {t}[s*]{y^> ]]) +//""" + let bundle = code |> Dsd.parse + let crn = bundle |> Dsd.convert_expand + Assert.Equal(4, crn.reactions.Length) + +/// This example is from Erik Winfree's class at Caltech (Feb 2018) +[] +let testJitCascading() = + let text = """ +(* + Demonstration of cascading: + Out = 1000 if (((#A >= 1) && (#B >= 1)) || (#C >= 1)) && (#D ~<~ 100) and otherwise 0 + where ~<~ means roughly less than, i.e. we're OK if it doesn't work perfectly near 100. + + In practice, the system below behaves well unless D is roughly between 95 and 105 +*) +directive simulation { final=30000; points=1000; plots = [; ; ; ; (*< _ h^ X>;*) ; <4 5^ 2>] } +directive simulator stochastic +directive jit +(* just-in-time network enumeration is primarily useful for polymers, +but also incidentally turns on the Export/Final panel, which can be nice *) +directive compilation infinite + +( 0 * (* input A *) +| 0 * (* input B *) +| 10 * (* input C *) +| 95 * (* input D *) +(* translate A into Y and B into Z while keeping low copy numbers *) +| 1 * {a^*}[A i^] +| 1 * {b^*}[B j^] +(* our previous AND gate "from the refrigerator": X = Y AND Z *) +| 1 * {j^*}[Z i^]:[Y h^] +(* a "wire-OR" via translating C to X *) +| 1 * {c^*}[C h^] +(* a threshold to absorb the first 100 of D and simultaneously deplete W *) +| 200 * {d^*}[D k^]:[W] +| 100 * +| 200 * [D]{k^*} +(* remaining W, if any, can enable X to transform into pre-autocatalyst *) +| 1 * {h^*}[X k^]:[W]<1^> +| 10 * +(* translate pre-autocatalyst to the input of an autocatalyst from our "refrigerator" *) +| 1 * <4>[5^ W]{1^*} +(* here is our autocatalyst <4 5^ 2> ; it can be triggered by any *) +| 1300 * <5^ 2 3^ 4> +| 1000 * <4>[5^ 2]:<6>[3^ 4]{5^*} +) + +""" + let bundle = Dsd.parse text + let crn = Dsd.convert_unexpanded bundle + let plot452idx = crn.settings.simulation.plots.Length - 1 + let calc = makeDsdCalculus bundle + + let jit = match Dsd.to_jit bundle with Choice1Of2 c -> c | _ -> failwith "this test should not produce a Rules bundle" + let mutable plot452val = 0.0 + let output (r:row) = plot452val <- r.values.[plot452idx] + let outputplottable (p:newplottable) = ignore p + Microsoft.Research.CRNEngine.Jit.simulate_callback (ref false) output outputplottable jit calc + + (* CS: <4 5^ 2> is expected to reach 1000.0, but I'm checking + within the range 100-1000 just to avoid false negatives. + At the beginning <4 5^ 2> is absent, and it can only be + produced in a catalytic loop, so there shouldn't be + false positives either. *) + Assert.InRange(plot452val, 100.0, 1000.0) + +/// Another example from Erik Winfree's class at Caltech (Feb 2018) +[] +let testJitStack() = + let text = """ +directive simulation { + initial=0; final=10000000; points=1000000; + plots=[ + sum([<_ T^ pS1>]); sum([<_ T^ pS2>]); sum([<_ T^ pS3>]); + sum([<_ T^ pS4>]); sum([<_ T^ pS5>]); sum([<_ T^ pS6>]); + sum([<_ T^ pS7>]); sum([<_ T^ pS8>]); sum([<_ T^ pS9>]); + sum([<_ T^ pS10>]); sum([<_ T^ pS11>]); sum([<_ T^ pS12>]); + sum([<_ T^ pS13>]); sum([<_ T^ pAcc>]); sum([<_ T^ pRej>]); + ]; +} +directive compilation infinite +directive polymers +directive jit +def lots = 20.0 +new mBot +new pBot +new T +def EditStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ) = + (( lots * + | lots * {GlueZ T^} + | lots * [GlueZ* T^*] + | lots * {T^}[mPopZ T^]:[pPushZ T^]{GlueZ})) +def EmptyStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def OneStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def TwoStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def ThreeStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def FourStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def FiveStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU, mR, pR) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def SixStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU, mR, pR, mP, pP) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def SevenStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mA, pA, mB, pB, mC, pC, mD, pD, mE, pE, mF, pF, mG, pG) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def EightStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mA, pA, mB, pB, mC, pC, mD, pD, mE, pE, mF, pF, mG, pG, mH, pH) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def Element(mX, mPushZ, pPushZ, pX) = +def Signal(mX, pX) = +def Irrev33x33(mX, pX, mY, pY, mA, pA, mB, pB) = + (new mA + ( lots * {T^*}[pX T^]:[pY T^]:[mA T^]:[mB T^] + | lots * )) +def Irrev53x35(mX, mPushZ1, pPushZ1, pX, mY, pY, mB, pB, mA, mPushZ2, pPushZ2, pA) = + (new mB + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] + | lots * )) +def Irrev53x33(mX, mPushZ1, pPushZ1, pX, mY, pY, mA, pA, mB, pB) = + (new mA + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^]:[mB T^] + | lots * )) +def Irrev53x3(mX, mPushZ1, pPushZ1, pX, mY, pY, mA, pA) = + (new mA + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^] + | lots * )) +def Irrev33x35(mX, pX, mY, pY, mB, pB, mA, mPushZ2, pPushZ2, pA) = + (new mB + ( lots * {T^*}[pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] + | lots * )) +new mPushA +new pPushA +new mPopA +new pPopA +new GlueA +new mPushB +new pPushB +new mPopB +new pPopB +new GlueB +new mPushC +new pPushC +new mPopC +new pPopC +new GlueC +new mPushX +new pPushX +new mPopX +new pPopX +new GlueX +new mZero +new pZero +new mOne +new pOne +new mS1 +new pS1 +new mS2 +new pS2 +new mS3 +new pS3 +new mS4 +new pS4 +new mS5 +new pS5 +new mS6 +new pS6 +new mS7 +new pS7 +new mS8 +new pS8 +new mS9 +new pS9 +new mS10 +new pS10 +new mS11 +new pS11 +new mS12 +new pS12 +new mS13 +new pS13 +new mAcc +new pAcc +new mRej +new pRej +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA,mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB,mZero,pZero,mZero,pZero) +| OneStack(mPushC,pPushC,mPopC,pPopC,GlueC,mZero,pZero) +| EmptyStack(mPushX,pPushX,mPopX,pPopX,GlueX) +| Signal(mS1,pS1) +| Signal(mPopA,pPopA) +| Irrev53x33(mBot,mPushA,pPushA,pBot,mS1,pS1,mS2,pS2,mPopB,pPopB) +| Irrev53x33(mOne,mPushA,pPushA,pOne,mS1,pS1,mS3,pS3,mPopB,pPopB) +| Irrev53x33(mZero,mPushA,pPushA,pZero,mS1,pS1,mS4,pS4,mPopB,pPopB) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS2,pS2,mAcc,pAcc) +| Irrev53x3(mOne,mPushB,pPushB,pOne,mS2,pS2,mRej,pRej) +| Irrev53x3(mZero,mPushB,pPushB,pZero,mS2,pS2,mRej,pRej) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS3,pS3,mRej,pRej) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS3,pS3,mS5,pS5,mPopC,pPopC) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS3,pS3,mS6,pS6,mPopC,pPopC) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS4,pS4,mRej,pRej) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS4,pS4,mS6,pS6,mPopC,pPopC) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS4,pS4,mS7,pS7,mPopC,pPopC) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS5,pS5,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS5,pS5,mS8,pS8,mOne,mPushC,pPushC,pOne) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS5,pS5,mS9,pS9,mOne,mPushC,pPushC,pOne) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS6,pS6,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS6,pS6,mS9,pS9,mOne,mPushC,pPushC,pOne) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS6,pS6,mS10,pS10,mZero,mPushC,pPushC,pZero) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS7,pS7,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS7,pS7,mS10,pS10,mZero,mPushC,pPushC,pZero) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS7,pS7,mS11,pS11,mZero,mPushC,pPushC,pZero) +| Irrev33x35(mPopC,pPopC,mS8,pS8,mS13,pS13,mOne,mPushX,pPushX,pOne) +| Irrev33x35(mPopC,pPopC,mS9,pS9,mS12,pS12,mZero,mPushX,pPushX,pZero) +| Irrev33x35(mPopC,pPopC,mS10,pS10,mS13,pS13,mOne,mPushX,pPushX,pOne) +| Irrev33x35(mPopC,pPopC,mS11,pS11,mS12,pS12,mZero,mPushX,pPushX,pZero) +| Irrev33x33(mPopX,pPopX,mS12,pS12,mS1,pS1,mPopA,pPopA) +| Irrev33x33(mPopX,pPopX,mS13,pS13,mS1,pS1,mPopA,pPopA)) +""" + let bundle = Dsd.parse text + let calc = makeDsdCalculus bundle + let jit = match Dsd.to_jit bundle with Choice1Of2 c -> c | _ -> failwith "this test should not produce a Rules bundle" + let spcount = ref 15; + let output (row:row) = if row.values.Length <> !spcount then failwith "mismatched row length" + let outputplottable sp = spcount := !spcount+1 + Microsoft.Research.CRNEngine.Jit.simulate_callback (ref false) output outputplottable jit calc + +let dsdSemantics = """ +(*********************************) +(*********************************) +(*********************************) + // binding rule +reaction([P], Rate, Q) :- + P = C [D][D'], + compl(D, D'), + bindingRate(D, Rate), + freshBond(D!i,P), + Q = C [D!i] [D'!i], + not ignore(Q). + +reaction([P1; P2], Rate, Q) :- + P1 = C1 [D], + P2 = C2 [D'], + compl(D, D'), + bindingRate(D, Rate), + freshBond(D!i, P1 | P2), + Q = C1 [D!i] | C2 [D'!i], + not ignore(Q), + not hidden(D!i, Q). // avoids pseudo-knots + +(*********************************) +(*********************************) +(*********************************) +// unbinding rule +reaction([P], Rate, Q) :- + P = C [X!i] [X'!i], + toehold(X), + not junction(X!i, P), + unbindingRate(X, Rate), + Q = C [X] [X']. + +(*********************************) +(*********************************) +(*********************************) +// strand displacement rule +reaction([P], Rate, Q) :- + P = C [E!j D] [D!i] [D'!i F!k], + Q = C [E!j D!i] [D] [D'!i F!k], + Rate is 20, + junction(E!j, F!k, Q). + // junction(E!j, Q). + +reaction([P], Rate, Q) :- + P = C [D E!j] [D!i] [F!k D'!i], + Q = C [D!i E!j] [D] [F!k D'!i], + Rate is 20, + junction(E!j, F!k, Q). + // junction(E!j, Q). +(*********************************) +(*********************************) +(*********************************) +// 4-way branch migration +//reaction(P, Rate, Q) :- +// P = C [D!i1] [D'!i1] [D!i2] [D'!i2], +// Q = C [D!i1] [D'!i2] [D!i2] [D'!i1], +// Rate is 99, // TODO +// junction(D!i1, Q), +// junction(D!i2, Q). + +(*********************************) +(*********************************) +(*********************************) +// ignore complexes with more than four strands +ignore(P) :- + toList(P, Q), + length(Q, N), + N > 4. + +junction(E!j,F!j,_). +junction(E!j,F!k,Q):- + Q = C [F!k] [G!l E'!j] [E!j], + junction(G!l,F!k,Q). + +// Helper functions +(* Encoding of the junction predicate using the path predicate *) +findLoop(E!j, Q, Loop) :- + Q = C [E!j @ Start] [E'!j @ End], + path(E!j, Start, End, Q, "any", [], [_ # Loop] (* discards E!j from the loop*)), + not (Loop = []). + +branchesOnly([]). +branchesOnly([[E!j; _]; [E'!j; _] # Rest]) :- + branchesOnly(Rest). + +junction(E!j, Q) :- + findLoop(E!j, Q, Loop), + branchesOnly(Loop). + +hidden(D!i, P) :- + // TODO: P = C [D!i] [A@X D'!i@Y] + P = C [D!i] [A @ Start D'!i @ End], + path(A, Start, End, P, "left", [], Path), + not (member(D!i, Path)). + +path(_, End, End, _, _, Visited, Path) :- + reverse(Visited, Path). + +path(X, Start, End, P, "left", Visited, Path) :- + not (Start = End), + prevDomain(Start, [Y; Start'], P), + not member([Y; Start'], Visited), + path(Y, Start', End, P, "left", [[X; Start] # Visited], Path). + +path(X, Start, End, P, "right", Visited, Path) :- + not (Start = End), + nextDomain(Start, [Y; Start'], P), + not member([Y; Start'], Visited), + path(Y, Start', End, P, "right", [[X; Start]# Visited], Path). + +path(X, Start, End, P, "any", Visited, Path) :- + not (Start = End), + path(X, Start, End, P, "left", Visited, Path). + +path(X, Start, End, P, "any", Visited, Path) :- + not (Start = End), + path(X, Start, End, P, "right", Visited, Path). + +path(D!i, Start, End, P, _, Visited, Path) :- + not (Start = End), + P = C [D!i] [D'!i @ Start'], + not member([D'!i; Start'], Visited), + path(D'!i, Start', End, P, "any", [[D!i; Start]# Visited], Path). +(*********************************) +(*********************************) +(*********************************) + """ + +[] +let testClassicCatalytic() = + let text = sprintf """ +directive rules { + +bindingRate(c^, 0.00042). +unbindingRate(c^, 0.04). +bindingRate(c^*, 0.00042). +unbindingRate(c^*, 0.04). +bindingRate(e^, 0.00065). +unbindingRate(e^, 0.004). +bindingRate(e^*, 0.00065). +unbindingRate(e^*, 0.004). + +%s +} + +( 13 [ ] +| 10 [ ] +| 10 [ | | ]) + """ + let crn = Dsd.compile (text dsdSemantics) + // let debug1 = crn.to_string () + // let debug2 = crn.to_string_structure () + () + +[] +let testBinding () = + let code = sprintf """ + directive rules { +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +slow([P1;P2], 0.00065,Q) :- bind(P1,P2,Q,_). +fast([P],1,Q) :- displace(P,Q,_,_). +fast([P],1,Q) :- displaceL(P,Q,_,_). +fast([P],0.004,Q) :- unbind(P,Q,_). + +merge(P,P,V) :- not fast([P],_,_). +merge(P,R,V) :- + fast([P],_,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1;P2],Rate,R) :- + slow([P1;P2],Rate,R). +reaction([P],Rate,R) :- + fast([P],Rate,R). +} + ( 1 [ | ] + | 1 [ ] + )""" + let crn = Dsd.compile code + let e = Parameters.to_env crn.settings.parameters + let f = Rate.map2 (Expression.map (Environment.find e)) id + + // let debug1 = crn.to_string () + // let debug2 = crn.to_string_structure () + + Assert.Equal(2, crn.reactions.Length) // one reaction binds e^, and one reaction displaces d + + let bRate = Microsoft.Research.CRNEngine.MassAction (Microsoft.Research.CRNEngine.Expression.Float 0.00065) + let uRate = Microsoft.Research.CRNEngine.MassAction (Microsoft.Research.CRNEngine.Expression.Float 0.004) + let dRate = Microsoft.Research.CRNEngine.MassAction (Microsoft.Research.CRNEngine.Expression.Float 1.0) + + // check that there is a binding rule + Assert.True(crn.reactions |> List.exists (fun r -> r.reactants.Length = 2 + && r.products.Length = 1 + && f r.rate = bRate + && r.reverse |> Option.isSome + && (r.reverse |> Option.get |> f) = uRate)) + // check that there is a displacement rule + Assert.True(crn.reactions |> List.exists (fun r -> r.reactants.Length = 1 + && r.products.Length = 1 + && r.rate = dRate + && Option.isSome r.reverse + && Option.get r.reverse = dRate))// check that + + + +let simplifiedDsdSemantics extra = + sprintf """ +directive rules { + +// binding rule +reaction([P], Rate, Q) :- + P = C [D][D'], + Q = C [D!i] [D'!i], + compl(D, D'), + bindingRate(D, Rate), + freshBond(D!i,P). + +reaction([P1; P2], Rate, Q) :- + P1 = C1 [D], P2 = C2 [D'], + Q = C1 [D!i] | C2 [D'!i], + compl(D, D'), + bindingRate(D, Rate), + freshBond(D!i, P1 | P2). + +// unbinding rule +reaction([P], Rate, Q) :- + P = C [D!i] [D'!i], + Q = C [D] [D'], + toehold(D), + not adjacent(D!i,P), + unbindingRate(D, Rate). + +adjacent(D!i,P) :- P = C [E!j D!i]. +adjacent(D!i,P) :- P = C [D!i E!j]. + +// displacement rule +reaction([P], Rate, Q) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j], + Rate is 20. + +reaction([P], Rate, Q) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i], + Rate is 20. +bindingRate(D, B) :- + findRate(D, B, _). + +unbindingRate(D, U) :- + findRate(D, _, U). + +findRate(D, B, U) :- + dom(D, B, U). + +findRate(D, B, U) :- + compl(D, D'), + dom(D', B, U). + +%s +}""" extra + +[] +let testClassicJoin() = + let rates = """dom(_, "k", "u").""" + let semantics = simplifiedDsdSemantics rates + let text = sprintf """ +// Simplified DSD semantics +%s + +directive simulation { final = 600; } +directive simulator deterministic +directive parameters [ + k = 0.003; + u = 0.1; +] + +( 10 [] +| 10 [] +| 100 [ | | ] +| 100 [ | ] +) + """ + let crn = Dsd.compile (text semantics) + //let debug1 = crn.to_string () + //let debug2 = crn.to_string_structure () + Assert.Equal(8, crn.reactions.Length) + +[] +let testPseudoknotFuel() = + let text = """directive rules { +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +unibind(P,Q,_) :- + P = C [D][D'], compl(D, D'), + Q = C [D!i][D'!i], freshBond(D!i, P). + + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j]. // [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i]. // [D'!i E'!j]. + +// branch migration predicates +migrate(P, Q) :- + P = C [D!i1] [D'!i1 E'!j] [E!j D!i2] [D'!i2], + Q = C [D!i1] [D'!i2 E'!j] [E!j D!i2] [D'!i1]. + +migrateR(P, Q) :- + P = C [D!i1] [E'!j D'!i1] [D!i2 E!j] [D'!i2], + Q = C [D!i1] [E'!j D'!i2] [D!i2 E!j] [D'!i1]. + + +// branch migration predicates +migrateDisplace(P, Q) :- + P = C [] [E'!j D'!i1] [D!i2 E!j F'!k] [F!k D'!i2], + Q = C [D>] [E'!j D'!i1] [D!i1 E!j F'!k] [F!k D' ]. + +//slow([P1;P2], "bind",Q) :- bind(P1,P2,Q,_). +//fast([P],"displace",Q) :- displace(P,Q,_,_). +//fast([P],"displace",Q) :- displaceL(P,Q,_,_). +fast([P],"bind",Q) :- unibind(P,Q,_). +fast([P],"unbind",Q) :- unbind(P,Q,_). +//slow([P],"migrate",Q) :- migrate(P,Q). +//slow([P],"migrate",Q) :- migrateR(P,Q). + +slow([P],"migDisplace",Q) :- migrateDisplace(P,Q). +slow([P],"migDisplace",Q) :- migrateDisplaceR(P,Q). + +merge(P,P,V) :- not fast([P],_,_). +merge(P,R,V) :- fast([P],_,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1;P2],Rate,R) :- slow([P1;P2],Rate,Q), merge(Q,R,[(P1|P2);Q]). +reaction([P],Rate,R) :- slow([P],Rate,Q), merge(Q,R,[P;Q]). + +} + + // (10 [ | | | | ]) + // (10 [ | | | | ]) + (10 [ | | | | ]) +(* +(10 [ | | | ] +| 1 [] +)*)""" + let crn = Dsd.compile text + () //Assert.Equal(8, crn.reactions.Length) + + +[] +let testZeroHairpin() = + let text = """directive rules { + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D@X], compl(D, D'), P2 = C2 [D'@Y], + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2), + not hidden(D@X, P1), + not hidden(D'@Y, P2). + +bind(P,Q,D!i) :- + P = C[D @ X][D' @ Y], compl(D, D'), + Q = C [D!i][D'!i], freshBond(D!i, P), + not hidden(D @ X, P), + not hidden(D' @ Y, P). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!k], junction(E!j, E'!k, P), + Q = C [E!j D!i] [D] [D'!i E'!k]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!k D'!i], junction(E!j, E'!k, P), + Q = C [D] [D!i E!j] [E'!k D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +binds(P,R,D!i,[D#L]) :- bind(P,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P,Q,D!i,[D]) :- bind(P,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +(* auxiliary functions *) +hidden(D@X, P) :- + unbound(D), + P = C [A@End D@X B@Start], + path(B@Start, A@End, P, "right", [], Path). + +hidden(D@X, P) :- + unbound(D), + P = C [B@Start D@X A@End], + path(B@Start, _@End, P, "left", [], Path). + +hidden(D!i, D'!i, P) :- + P = C [D!i@End A@Start], + path(A@Start, _@End, P, "right", [], Path), + not (last(Path, D'!i)). + +hidden(D!i, D'!i, P) :- + P = C [A@Start D!i@End], + path(A@Start, _@End, P, "left", [], Path), + not (last(Path, D'!i)). + +(* path predicate: find a @Path from @Start to @End *) +path(_@End, _@End, _, _, Visited, Path) :- + reverse(Visited, Path). + +path(X@Start, _@End, P, "left", Visited, Path) :- + not (Start = End), + P = C[Y@Start' X@Start], + not member(Y@Start', Visited), + path(Y@Start', _@End, P, "left", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "right", Visited, Path) :- + not (Start = End), + P = C[X@Start Y@Start'], + not member(Y@ Start', Visited), + path(Y@Start', _@End, P, "right", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "left", Visited, Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "right", Visited, Path). + +path(D!i@Start, _@End, P, _, Visited, Path) :- + not (Start = End), + P = C [D!i@Start] [D'!i@Start'], + not member(D'!i@Start', Visited), + path(D'!i@Start', _@End, P, "any", [D!i@Start # Visited], Path). + +junction(A, B, P) :- junctionR(A, B, P, []). +junction(A, B, P) :- junctionL(A, B, P, []). +junctionR(_!j,_!j,_,_). +junctionR(E!j,F!k,Q,V):- + Q = C [F!k] [G!l@X E'!j@Y] [E!j], + not member(X, V), + not member(Y, V), + junctionR(G!l,F!k,Q,[X;Y#V]). + +junctionL(_!j,_!j,_, _). +junctionL(E!j,F!k,Q, V):- + Q = C [F!k] [E'!j@X G!l@Y] [E!j], + not member(X, V), + not member(Y, V), + junctionL(G!l,F!k,Q,[X;Y#V]). + + +(* infinite semantics *) +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +//reaction([P1; P2], Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), productive(Q,_,D!i,L). +//reaction([P1; P2], Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), not unbind(Q, _, D!i, _). + +reaction([P], "displace", Q) :- displace(P,Q,_,_).//, find(L, "displace", Rate). +reaction([P], "displace", Q) :- displaceL(P,Q,_,_).//, find(L, "displace", Rate). +reaction([P], "covers", Q) :- cover(P,Q,_,_).//, find(L, "cover", Rate). +reaction([P], "covers",Q) :- coverL(P,Q,_,_).//, find(L, "cover", Rate). +reaction([P], "unbind",Q) :- unbind(P,Q,_).//, find(L, "unbind", Rate). +reaction([P], "bind", Q) :- bind(P,Q,_). + +productive(P,Q,E!j,L) :- displace(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displaceL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- cover(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coverL(P,Q,E!j,L). + +merge(P,P,V) :- not fast(P,_). +merge(P,R,V) :- fast(P,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1; P2], "bind", R) :- bind(P1, P2, R, _). // , merge(Q,R,[(P1|P2);Q]). + +default([_],"unbind",0.1). +default(_,"bind","bind"). +default(_,"displace",1.0). +default(_,"cover",1.0). + +} + +( +10 [] | +100 +[ +| + +| +] +) + +""" + let crn = Dsd.compile text + Assert.Equal(9, crn.reactions.Length) + + +[] +let testCas9() = + // this code works if [A; P] is replaced by [P; A] + let code = """directive rules{ +reaction([P1; P2], 1, Q) :- + member(A, [P1; P2]), + member(P, [P1; P2]), + not(A = P), + A = D [], + P = C [X!i YPam!j XPam!k Y!l] [Y'!l XPam'!k YPam'!j X'!i ], + Q = C [X!i YPam!j> | < XPam!k Y!l] [Y'!l XPam'!k > | ] +| 1 [ < a !0 bPam !1 aPam !2 b !3> + | < b*!3 aPam*!2 bPam*!1 a*!0> ] )""" + let crn = Dsd.compile code + //let debug1 = crn.to_string () + //let debug2 = crn.to_string_structure () + Assert.False(crn.reactions.IsEmpty) + +[] +let testPenToolboxOligator() = + let code = """ +directive rules { +bind1(P,Q,D!i) :- + P = C [D][D'], compl(D, D'), + Q = C [D!i] [D'!i], freshBond(D!i,P). + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displaces(Q,_,D!i,_). + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displacesL(Q,_,D!i,_). + +reaction([P], Rate, Q) :- bind1(P,Q,D!i), bindingRate(D, Rate). +reaction([P1; P2], Rate, Q1|Q2) :- bind(P1,P2,Q1,Q2,D!i), bindingRate(D, Rate). +reaction([P], Rate, Q) :- unbind(P,Q,D!i), unbindingRate(D, Rate). +reaction([P], "migrate", Q) :- displaces(P,Q,E!j,_). +reaction([P], "migrate", Q) :- displacesL(P,Q,E!j,_). + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not covers(Q,_,D!i,_). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coversL(Q,_,D!i,_). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). + +unbind2(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D']. +unbinds(P,R,D!i,[D#L]) :- unbind2(P,Q,D!i), not boundL(D!i,_,P), unbinds(Q,R,E!j,L), adjacent(D!i,E!j,P). +unbinds(P,Q,D!i,[D]) :- unbind2(P,Q,D!i), not adjacent(D!i,_,P). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +reaction([P1; P2], Rate, Q) :- bindingRates(L, Rate), binds(P1,P2,Q,_,L). +reaction([P], Rate, Q) :- unbindingRates(L, Rate), unbinds(P,Q,D!i,L). + +polymerase(P,Q,A!i,B!j) :- + P = C [A!i>] [B' A'!i], + Q = C [A!i B!j>] [B'!j A'!i], compl(B, B'), freshBond(B!j, P). + +polymerase(P,Q,A!i,B!j) :- //strand displacing polymerase + P = C [A!i>] [B'!j A'!i] [B!j], + Q = C [A!i B!j>] [B'!j A'!i] [B]. + +polymerases(P,R,A!i) :- polymerase(P,Q,A!i,B!j), polymerases(Q,R,B!j). +polymerases(P,Q,A!i) :- polymerase(P,Q,A!i,B!j), not polymerases(Q,_,_). + +exonuclease(P,R,A@p) :- P = C[] , unbound(A), Q = C[nil], not protected(A). + +reaction([P], "kpol", Q) :- polymerases(P,Q,_). + +reaction([P], "knick", Q) :- // nickase + P = C [A1!i1 A2!i2 B!j] [B'!j A2'!i2 A1'!i1], + Q = C [A1!i1 A2!i2> | ] +| 30 [] +| 30 [] +| 1 [] +| 1 [] +| 1 [] +)""" + let crn = Dsd.compile code + //let debug1 = crn.to_string () + //let debug2 = crn.to_string_structure () + () + +[] +let testPenToolboxOligatorNucleotides() = + let code = """ +directive rules { +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not covers(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displaces(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displacesL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not covers(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coversL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +reaction([P1; P2], Rate, Q) :- find(L, "bind", Rate), binds(P1,P2,Q,_,L). +reaction([P], Rate, Q) :- displaces(P,Q,_,L), find(L, "displace", Rate). +reaction([P], Rate, Q) :- displacesL(P,Q,_,L), find(L, "displace", Rate). +reaction([P], Rate, Q) :- covers(P,Q,_,L), find(L, "cover", Rate). +reaction([P], Rate, Q) :- coversL(P,Q,_,L), find(L, "cover", Rate). +reaction([P], Rate, Q) :- unbinds(P,Q,_,L), find(L, "unbind", Rate). + +polymerase(P,Q,A!i,B!j) :- + P = C [A!i>] [B' A'!i], compl(B, B'), + Q = C [A!i B!j>] [B'!j A'!i], freshBond(B!j, P). + +polymerase(P,Q,A!i,B!j) :- //strand displacing polymerase + P = C [A!i>] [B'!j A'!i] [B!j], + Q = C [A!i B!j>] [B'!j A'!i] [B]. + +polymerases(P,R,A!i,[B#L]) :- polymerase(P,Q,A!i,B!j), polymerases(Q,R,B!j,L). +polymerases(P,Q,A!i,[B]) :- polymerase(P,Q,A!i,B!j), not polymerase(Q,_,_,_). + +exonuclease(P,R,A@p,[A#L]) :- + P = C[] , unbound(A), Q = C[nil], not protected(A). +protected(_{"O"}). + +reaction([P], Rate, Q) :- polymerases(P,Q,_,L), find(L,"polymerase", Rate). +reaction([P], Rate, Q) :- exonuclease(P,Q,_,L), find(L,"exonuclease",Rate). +reaction([P], Rate, Q) :- + recognition([A1;A2;A3;A4;A5]), find([A1;A2;A3;A4;A5],"nickase",Rate), + P = C [A1!i1 A2!i2 A3!i3 A4!i4 A5!i5 N1 N2 N3 N4 B!j] [B'!j N4' N3' N2' N1' A5'!i5 A4'!i4 A3'!i3 A2'!i2 A1'!i1], + Q = C [A1!i1 A2!i2 A3!i3 A4!i4 A5!i5 N1 N2 N3 N4> | ] +| 30 [] +| 30 [] +| 1 [] // A +| 1 [] // B +| 1 [] // Inh +) +""" + let crn = Dsd.compile code + //let debug1 = crn.to_string () + //let debug2 = crn.to_string_structure () + () + +[] +let polyTest () = + let code = """ + directive rules { + // polymerase + reaction([P], Rate, Q) :- + P = C [] [], + compl(A, A'), + compl(B, B'), + freshBond(B!j, P), + Q = C [] [], + Rate is 1. + } + (1 [ | ] ) + """ + let crn = Dsd.compile code + Assert.False(crn.reactions.IsEmpty) + +[] +let nickTest () = + let code = """ + directive rules { + // nickase + reaction([P], Rate, Q) :- + P = C [a1^!i1 a2^!i2 B!j] [B'!j a2^*!i2 a1^*!i1], + Q = C [a1^!i1 a2^!i2> | | ] ) + """ + let crn = Dsd.compile code + Assert.False(crn.reactions.IsEmpty) + + + +(***********************************) +(***********************************) +(***********************************) +(* Localised semantics and walkers *) +(***********************************) +(***********************************) +(***********************************) + +let localisedSemantics = """ +(****** Localised semantics ********) + (*** tethers(P, L): find all the tethers L in process P ***) + filterTethers([], []). + filterTethers([T#Ds], [Ls#Ts]) :- + tethered(T, Ls), + filterTethers(Ds, Ts). + + filterTethers([D#Ds], Ts) :- + not tethered(D, _), + filterTethers(Ds, Ts). + + tethers(P, Ts) :- + toDomains(P, Ds), // in-built predicate + filterTethers(Ds, Ts). + + (*** tetheredDomains(P, TDs) : find all tethered domains in P ***) + filterTetheredDomains([], []). + filterTetheredDomains([D#Ds], [D#Ts]) :- + tethered(D, _), + filterTetheredDomains(Ds, Ts). + + filterTetheredDomains([D#Ds], Ts) :- + not tethered(D, _), + filterTetheredDomains(Ds, Ts). + + tetheredDomains(P, TDs) :- + toDomains(P, Ds), // in-built predicate + filterTetheredDomains(Ds, TDs). + + (*** proximal(P1, P2): P1 and P2 are close enough if either one of them is not tethered, + or if they are tethered in the same region. ***) + hasIntersection(Ts1, Ts2) :- + concat(Ts1, T1), + concat(Ts2, T2), + not intersection(T1, T2, []). + + shared([], _). + shared(_, []). + shared(Ts1, Ts2) :- + not (Ts1 = []), not (Ts2 = []), + hasIntersection(Ts1, Ts2). + + proximal(P1, P2) :- + tethers(P1, Ts1), + tethers(P2, Ts2), + shared(Ts1, Ts2), + + (* CRN pruning: bind P1 and P2 only if they have a most one tether each. + Tethers are also unique, so discard P1 and P2 if they both share a tether *) + tetheredDomains(P1, D1), length(D1, N1), N1 <= 1, + tetheredDomains(P2, D2), length(D2, N2), N2 <= 1, + intersection(D1, D2, []). + + bind(P1,P2,Q,D!i) :- + proximal(P1, P2), + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + + (****** /Localised semantics ********) + + + bind1(P,Q,D!i) :- + P = C [D][D'], compl(D, D'), + Q = C [D!i] [D'!i], freshBond(D!i,P). + + unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + + adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. + adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). + displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displaces(Q,_,D!i,_). + + displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). + displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displacesL(Q,_,D!i,_). + + reaction([P], Rate, Q) :- bind1(P,Q,D!i), bindingRate(D, Rate). + reaction([P1; P2], Rate, Q) :- bind(P1,P2,Q,D!i), bindingRates(D, Rate). + reaction([P], Rate, Q) :- unbind(P,Q,D!i), unbindingRate(D, Rate). + reaction([P], "migrate", Q) :- displaces(P,Q,E!j,_). + reaction([P], "migrate", Q) :- displacesL(P,Q,E!j,_). + + cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). + covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not covers(Q,_,D!i,_). + + coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). + coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coversL(Q,_,D!i,_). + + binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). + + unbind2(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D']. + unbinds(P,R,D!i,[D#L]) :- unbind2(P,Q,D!i), not boundL(D!i,_,P), unbinds(Q,R,E!j,L), adjacent(D!i,E!j,P). + unbinds(P,Q,D!i,[D]) :- unbind2(P,Q,D!i), not adjacent(D!i,_,P). + boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + reaction([P1; P2], Rate, Q) :- bindingRates(L, Rate), binds(P1,P2,Q,_,L). + reaction([P], Rate, Q) :- unbindingRates(L, Rate), unbinds(P,Q,D!i,L). + + + // nickase + reaction([P], "knick", Q) :- + P = C [A1!i1 A2!i2 B!j] [B'!j A2'!i2 A1'!i1], recognition(A1',A2'), + Q = C [A1!i1 A2!i2 B!j] [B'!j> | ] +let walkerTest () = + let code = localisedSemantics |> sprintf "directive rules { + %s + + // nicks after b* a^* (e.g. nicks X off in ) + recognition(a^*, b*). + + // rates + bindingRates(_, \"kbind\"). + unbindingRate(_, \"kunbind\"). + + tethered(tA,[\"a\"]). + tethered(tB,[\"a\";\"b\"]). + tethered(tC,[\"b\"]). + +} + +directive parameters [ + kbind = 0.003; + kunbind = 0.1; + migrate = 1; + knick = 1; +] + +( +// 1 [< a^ !0 b !1 c^ !2> +// |< c^*!2 b*!1 a^*!0 tA>] +//| 1 [< c^* b* a^* tB>] +//| 1 [< c^* b* a^* tC>] +//) + 1 [ | ] +| 1 [ ] +)" + let crn = Dsd.compile code + let debug1 = crn.to_string () + let debug2 = crn.to_string_structure () + Assert.False(crn.reactions.IsEmpty) + + +[] +// this example models the reference +let cargoSortingTest () = + let code = "directive rules {\n" + localisedSemantics + """ + + // rates + bindingRates(_, "kbind"). + unbindingRate(_, "kunbind"). + + (* robot starting point: reaches the drop zone for the first cargo, and the cargo pickup area *) + tethered(start,["dropZoneA"; "toCargo"]). + + (* tracks between starting point, cargos pickup area and drop zones *) + tethered(track1,["toCargo"; "transitA"]). + tethered(track2,["transitA";"pickupArea"; "transitB"]). + tethered(track3,["transitB"; "dropZoneB"]). + + (* cargo dropping points *) + tethered(goal1p,["dropZoneA"]). + tethered(goal2p,["dropZoneB"]). + + (* cargo starting points *) + tethered(cargo1p*,["pickupArea"; "transitA"]). + tethered(cargo2p*,["pickupArea"; "transitB"]). + + } + + directive simulation { + final = 60000; + } + + directive parameters [ + kbind = 0.003; + kunbind = 0.1; + migrate = 1; + ] + + ( + // robot + 1 [ | | ] + // goals + | 1 [ | ] + | 1 [ | ] + + // cargos + | 1 [ | | ] + | 1 [ | | ] + //tracks + | 1 [ ] + | 1 [ ] + | 1 [ ] + )""" + + // run the simulation and check that the cargos are sorted + let crn = Dsd.compile code + let debug1 = crn.to_string () + let debug2 = crn.to_string_structure () + let crn' = crn.to_ssa().simulate_callback (ref false) ignore ignore None + + // expected final states + let provider = RulesDSD.Syntax.makeProvider () + let siteParser = Microsoft.Research.DNA.LogicDSD.psite cle provider true + let canonical = Parser.from_string (RulesDSD.Parser.psystem siteParser)>> (RulesDSD.Syntax.Process.Canonical Microsoft.Research.DNA.LogicDSD.engine)>> (RulesDSD.Syntax.Process.ToStringWith Microsoft.Research.DNA.LogicDSD.engine) + let final1 = canonical " | | " + let final2 = canonical " | | " + let findSpeciesName x = crn.attributes + |> Map.toList + |> List.find (fun (_, attr) -> attr.structure = x) + |> fst + let sp1 = crn.initials |> List.find (fun x -> x.species.name = findSpeciesName final1) + let sp2 = crn.initials |> List.find (fun x -> x.species.name = findSpeciesName final2) + + let i1 = crn'.simulator.populations.species_to_index.[sp1.species] + let i2 = crn'.simulator.populations.species_to_index.[sp2.species] + + let pop1 = crn'.simulator.populations.get_population i1 + let pop2 = crn'.simulator.populations.get_population i2 + + Assert.True( (pop1 = 1.0) ) + Assert.True( (pop2 = 1.0) ) + + +[] +// this example models the reference +let cargoBindingTest () = + let code = "directive rules {\n" + localisedSemantics + """ + + // rates + bindingRates(_, "kbind"). + unbindingRate(_, "kunbind"). + + (* robot starting point: reaches the drop zone for the first cargo, and the cargo pickup area *) + tethered(start,["dropZoneA"; "toCargo"]). + + (* tracks between starting point, cargos pickup area and drop zones *) + tethered(track1,["toCargo"; "transitA"]). + tethered(track2,["transitA";"pickupArea"; "transitB"]). + tethered(track3,["transitB"; "dropZoneB"]). + + (* cargo dropping points *) + tethered(goal1p,["dropZoneA"]). + tethered(goal2p,["dropZoneB"]). + + (* cargo starting points *) + tethered(cargo1p*,["pickupArea"; "transitA"]). + tethered(cargo2p*,["pickupArea"; "transitB"]). + + } + + directive simulation { + final = 60000; + } + + directive parameters [ + kbind = 0.003; + kunbind = 0.1; + migrate = 1; + ] + + ( + 1 [ | | | | ] + )""" + + let crn = Dsd.compile code + //let debug1 = crn.to_string () + //let debug2 = crn.to_string_structure () + Assert.True(crn.reactions |> List.exists (fun r -> r.rate = MassAction (Expression.Key "migrate"))) + + +[] +// this example models the reference +let testRiboSwitch() = + + let code = """ +directive rules { + +(* Strand graph semantics*) +hidden(D@X, P) :- + unbound(D), + P = C [A@End D@X B@Start], + path(B@Start, _@End, P, "right", [], Path). + +hidden(D@X, P) :- + unbound(D), + P = C [B@Start D@X A@End], + path(B@Start, _@End, P, "left", [], Path). + +hidden(D!i, D'!i, P) :- + P = C [D!i@End A@Start], + path(A@Start, _@End, P, "right", [], Path), + not (last(Path, D'!i)). + +hidden(D!i, D'!i, P) :- + P = C [A@Start D!i@End], + path(A@Start, _@End, P, "left", [], Path), + not (last(Path, D'!i)). + +path(_@End, _@End, _, _, Visited, Path) :- + reverse(Visited, Path). + +path(X@Start, _@End, P, "left", Visited, Path) :- + not (Start = End), + P = C[Y@Start' X@Start], + not member(Y@Start', Visited), + path(Y@Start', _@End, P, "left", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "right", Visited, Path) :- + not (Start = End), + P = C[X@Start Y@Start'], + not member(Y@ Start', Visited), + path(Y@Start', _@End, P, "right", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "left", Visited, Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "right", Visited, Path). + +path(D!i@Start, _@End, P, _, Visited, Path) :- + not (Start = End), + P = C [D!i@Start] [D'!i@Start'], + not member(D'!i@Start', Visited), + path(D'!i@Start', _@End, P, "any", [D!i@Start # Visited], Path). + +junction(A, B, P) :- junctionR(A, B, P). +junction(A, B, P) :- junctionL(A, B, P). +junctionR(_!j,_!j,_). +junctionR(E!j,F!k,Q):- + Q = C [F!k] [G!l E'!j] [E!j], + junctionR(G!l,F!k,Q). + +junctionL(_!j,_!j,_). +junctionL(E!j,F!k,Q):- + Q = C [F!k] [E'!j G!l] [E!j], + junctionL(G!l,F!k,Q). + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], compl(D, D'), P2 = C2 [D'], + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2), + not hidden(D!i, D'!i, Q), + not hidden(D'!i, D!i, Q). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!k], junction(E!j, E'!k, P), + Q = C [E!j D!i] [D] [D'!i E'!k]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!k D'!i], junction(E!j, E'!k, P), + Q = C [D] [D!i E!j] [E'!k D'!i]. +(*/ Strand graph semantics*) + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +slow(P1, P2, Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), productive(Q,_,D!i,L). +slow(P1, P2, Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), not unbind(Q, _, D!i, _). +fast(P, Q) :- displaces(P,Q,_,L).//, find(L, "displace", Rate). +fast(P, Q) :- displacesL(P,Q,_,L).//, find(L, "displace", Rate). +fast(P, Q) :- covers(P,Q,_,L).//, find(L, "cover", Rate). +fast(P, Q) :- coversL(P,Q,_,L).//, find(L, "cover", Rate). +fast(P, Q) :- unbinds(P,Q,_,L).//, find(L, "unbind", Rate). + +productive(P,Q,E!j,L) :- displace(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displaceL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- cover(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coverL(P,Q,E!j,L). + +merge(P,P,V) :- not fast(P,_). +merge(P,R,V) :- fast(P,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). +reaction([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + +default([_],"unbind",0.1). +default(_,"bind",0.0003). +default(_,"displace",1.0). +default(_,"cover",1.0). + +(* ribosome binding and expression *) +reaction([P], "expression", Q) :- + P = C [rbs@X D aug^] [nil], not hidden(rbs@X, P), + Q = C [rbs D aug^] []. + +} +directive parameters [ + ka = 4.3333e-04; + kda = 0.0383; + kdb = 0.0135; + kdInhTone = 9.5e-5; + kdInhTthree = 3.5e-5; + rbsBinding = 1; + expression = 1; + translation = 1; + transcription = 1; + folding = 1; + migrate = 1; + ku = 0.1; +] + +directive simulation { final=5000; plots=[] } + +(* +// Switch design I: OR +( 1 [] +| 1 [] +| 1 [] +) +*) +(* +// Switch design II: AND +( 1 [] +| 1 [] +| 1 [] +) + +*) + +( 1 [] +| 1 [] +| 1 [] +) +""" + + let crn = Dsd.compile code + let debug1 = crn.to_string () + let debug2 = crn.to_string_structure () + // check that some reaction is produced + Assert.True(crn.reactions |> List.exists (fun r -> r.rate = MassAction (Expression.Key "expression"))) + + + +[{b}[z]{y}:[z]{y} | [z]{y}::[z]{y})""" + Dsd.compile test_overhangs + |> ignore + +[] +[] +let ``Parsing, dom`` () = + let test_dom_keyword = + """ directive simulation {initial=0; final=7000} + + dom 3 = {bind=4.2E-4; unbind=4.0E-2} + new 5@ 6.5E-4 , 4.0E-3 + + ( 13 * <2 3^ 4> + | 10 * <4 5^> + | 10 * <1>[2]:<6>[3^ 4]{5^*} + )""" + Dsd.compile test_dom_keyword + |> ignore + +[] +[] +let ``Parsing, dom with spatial initials`` () = + let test_dom_keyword = + """ ( <2 3^ 4>[5] with { value = 13; spatial = { centralcore = { inner = 1.0; width = 0.1; outer = 0.0 } } })""" + let result = Dsd.compile test_dom_keyword + ignore result + + +[] +[] +let ``Melting with non-trivial double segment`` () = + let s = + "{x*}[z^* x1]{z3^ x2}::{y3^ z1}[y2]{x*}" + Dsd.compile s + |> ignore + +[] +[] +let ``simulation test`` () = + let test = """directive simulation { + final = 7000.0; + points = 1000; + plots = [<2 3^ 4>; <4 5^>; <1 2>; <6 3^ 4>; <1>[2]:<6>[3^ 4]{5^*}]; + } + directive deterministic { abstolerance = 1.0E-6 } + directive stochastic {scale = 500.0} + directive leak 1.0E-9 + directive tau 0.1126 + directive migrate 8000.0 + directive lengths 6 20 + + new 3@ 4.2E-4 , 4.0E-2 + new 5@ 6.5E-4 , 4.0E-3 + ( 13 * <2 3^ 4> + | 10 * <4 5^> + | 10 * <1>[2]:<6>[3^ 4]{5^*} + ) + """ + Dsd.compile test |> ignore + +[] +[] +let ``hairpins`` () = + let test = """ + directive localconcentrations [ (l, local) ] +directive polymers +directive parameters [ + ka=1; + kx=1; + ky=1; + kr=1; + krl=1; + ky=1; + kl=1; + ro=1; + kt = 1; + NF = 1; NI=1;NR=1; + local = 1000; + ] + + +dom a = { colour = "blue"; bind = ka } +dom a0 = { colour = "blue"; bind = ka } +dom b0 = { colour = "blue"; bind = ka } +dom c0 = { colour = "blue"; bind = ka } +dom y = { colour = "green"; bind = ky } +dom xs = { colour = "orange"; bind = kx*ro } +dom i = { colour = "orange"} +dom x = { colour = "orange"; bind = kx; subdomains = [xs;i]; } +dom r = { colour = "red"; bind = kr } +dom th = { colour = "purple"; bind = kt } +dom Q = { colour = "black" } +dom F = { colour = "yellow" } + +def Fuel() = {y^*}[s*]{i^* xs^*> +def HP2() = [[ [s]{y^> | {t*}[s]{r^> ]] +def Reporter() = {r^*}[s* t*]{F^} +def Strand() = {a0^* s*} +( NF of Fuel() +| NI of HP2() +| NR of Reporter() +| 0 of {a0^* s*} +) + + """ + Dsd.compile test |> ignore + +[] +let ``DNA Consensus network`` () = + let code = " + +directive compilation infinite (* detailed, infinite *) +directive declare +(* +directive sequenceRates +directive temperature 25.0 +directive migrate mrate (* mrate, 2250000 *) +directive time h +directive concentration nM +*) + +directive simulator sundials +directive deterministic {reltolerance = 1e-8 } +directive inference { + burnin=5000; samples=10000; thin=5; seed=0; + noise_model=proportional; + partial=true; timer=false; +} +directive parameters [ + kt = 2.39907822407132, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + +(* Sequence Rates + mRepJoinBX = 94470.1172302799, {distribution = Uniform(10.0, 10000000.0); interval = Log; Variation = Fixed}; + mRepJoinBY = 52196.1191896697, {distribution = Uniform(10.0, 10000000.0); interval = Log; variation = Fixed}; + mRepJoinXY = 81043.0257126739, {distribution = Uniform(10.0, 10000000.0); interval = Log; variation = Fixed}; + mRepB = 389793.823309916, {distribution = Uniform(10.0, 10000000.0); interval = Log; variation = Fixed}; + mRepX = 2664367.04606196, {distribution = Uniform(10.0, 10000000.0); interval = Log; variation = Fixed}; + mRepFork2B = 200701.403947464, {distribution = Uniform(10.0, 10000000.0); interval = Log; variation = Fixed}; + mRepFork2X = 7943820.8433103, {distribution = Uniform(10.0, 10000000.0); interval = Log; variation = Fixed}; + mRepFork2Y = 93267.3816879742, {distribution = Uniform(10.0, 10000000.0); interval = Log; variation = Fixed}; + t0Rep_rxyu1 = 0.108296104031841, {distribution = Uniform(0.0833, 0.16211); interval = Log; variation = Random}; + t0Rep_rbxu1 = 0.112778476997811, {distribution = Uniform(0.0833, 0.15467); interval = Log; variation = Random}; + t0Rep_rbyu1 = 0.110360387975028, {distribution = Uniform(0.0833, 0.16094); interval = Log; variation = Random}; + t0Rep_u3pb = 0.083866882273023, {distribution = Uniform(0.0833, 0.15131); interval = Log; variation = Random}; + t0Rep_u3px = 0.0851138939412723, {distribution = Uniform(0.0833, 0.156); interval = Log; variation = Random}; + t0Rep_u3py = 0.0834042212173622, {distribution = Uniform(0.0833, 0.15036); interval = Log; variation = Random}; + t0Rep_tb = 0.0955030075982879, {distribution = Uniform(0.0833, 0.14628); interval = Log; variation = Random}; + t0Rep_tx = 0.107492594451185, {distribution = Uniform(0.0833, 0.13692); interval = Log; variation = Random}; + mrate = 6069.834764, {distribution = Uniform(1000.0,10000.0); interval = Log; variation = Fixed}; +*) + +(* Unique context *) + mRepJoinBX = 0.330409478372343, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + mRepJoinBY = 0.195022555302614, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + mRepJoinXY = 0.28792982640174, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + mRepB = 0.936212548050403, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + mRepX = 1.89623194461531, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + mRepFork2B = 0.705992340255082, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + mRepFork2X = 2.33651032891356, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + mRepFork2Y = 0.390195181800155, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + t0Rep_rxyu1 = 0.107939489147304, {distribution = Uniform(0.0833, 0.16211); interval = Log; variation = Fixed}; + t0Rep_rbxu1 = 0.113303470294027, {distribution = Uniform(0.0833, 0.15467); interval = Log; variation = Fixed}; + t0Rep_rbyu1 = 0.111461253376227, {distribution = Uniform(0.0833, 0.16094); interval = Log; variation = Fixed}; + t0Rep_u3pb = 0.0836562120255087, {distribution = Uniform(0.0833, 0.15131); interval = Log; variation = Fixed}; + t0Rep_u3px = 0.0877810388094365, {distribution = Uniform(0.0833, 0.156); interval = Log; variation = Fixed}; + t0Rep_u3py = 0.0834781314697647, {distribution = Uniform(0.0833, 0.15036); interval = Log; variation = Fixed}; + t0Rep_tb = 0.0942529381496787, {distribution = Uniform(0.0833, 0.14628); interval = Log; variation = Fixed}; + t0Rep_tx = 0.105530280335228, {distribution = Uniform(0.0833, 0.13692); interval = Log; variation = Fixed}; + + leakBX2X_J = 0.0, {distribution = Uniform(0.0, 0.3); interval = Real; variation = Random}; + leakBY2Y_J = 0.0, {distribution = Uniform(0.0, 0.3); interval = Real; variation = Random}; + + kJ1 = 0.0204964555980685, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kJ1r = 0.585039224523331, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kJ2 = 1.42853444981608, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kJ2r = 0.237572367092801, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kJ3 = 1.48828869653376, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kJ3r = 0.0196729632011412, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kF1 = 0.079210535760631, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kF1r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kF2 = 0.0788609544911219, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kF2r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + kF3 = 0.102518024423917, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + kF3r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + kF4 = 0.102518024423917, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + kF5 = 0.102518024423917, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Fixed}; + kF2Y1 = 0.0137493238867182, {distribution = Uniform(0.01, 100.0); interval = Log; variation = Random}; + + kl = 2.51055199657701E-05, {distribution = Uniform(1.0E-8, 1.0E-3); interval = Log; variation = Fixed}; + + (* Separate rate per fluorophore + mRepJoin =75892.794458, {distribution = Uniform(10.0,10000000.0); interval = Log; variation = Random}; + *) + + (* Detailed model + ku1 = 1.0, {distribution = Uniform(0.01,100.0); interval = Log; variation = Random}; + ku2 = 1.0, {distribution = Uniform(0.01,100.0); interval = Log; variation = Random}; + ku3 = 1.0, {distribution = Uniform(0.01,100.0); interval = Log; variation = Random}; + ut = 100.0, {distribution = Uniform(100.0,10000.0); interval = Log; variation = Random}; + uu1 = 100.0, {distribution = Uniform(100.0,10000.0); interval = Log; variation = Random}; + uu2 = 100.0, {distribution = Uniform(100.0,10000.0); interval = Log; variation = Random}; + uu3 = 100.0, {distribution = Uniform(100.0,10000.0); interval = Log; variation = Random}; + *) + + (* Concentrations *) + X = 50.0; NG = 75.0; NH = 100.0; NR = 150.0; (* Default *) + Xv = 40.0; NGv = 120.0; NHv = 120.0; NRv = 120.0; (* Reversibles *) + Xh = 10.0; NGh = 15.0; NHh = 20.0; NRh = 30.0; (* Halves *) + Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; (* Intermediates *) + Xr = 4.0; NRr = 12.0; (* Reporters *) + (*Xm = 40.0; NGm = 80.0; NHm = 80.0; NRm = 120.0; *) + Xm = 80.0; NGm = 160.0; NHm = 160.0; NRm = 240.0; (* Consensus *) + N = 0.0; Nx = 0.0; Ny = 0.0; +] +(* Trying to constrain the fork rates *) +def kF2r = kF1r +def kF3r = kF1r +def kF4 = kF3 +def kF5 = kF3 + +def kJBX1 = kJ1 def kJBX1r = kJ1r def kJBX2 = kJ2 def kJBX2r = kJ2r def kJBX3 = kJ3 def kJBX3r = kJ3r +def kJBY1 = kJ1 def kJBY1r = kJ1r def kJBY2 = kJ2 def kJBY2r = kJ2r def kJBY3 = kJ3 def kJBY3r = kJ3r +def kJXY1 = kJ1 def kJXY1r = kJ1r def kJXY2 = kJ2 def kJXY2r = kJ2r def kJXY3 = kJ3 def kJXY3r = kJ3r +def kF2B1 = kF1 def kF2B1r = kF1r def kF2B2 = kF2 def kF2B2r = kF2r def kF2B3 = kF3 def kF2B3r = kF3r def kF2B4 = kF4 def kF2B5 = kF5 +def kF2X1 = kF1 def kF2X1r = kF1r def kF2X2 = kF2 def kF2X2r = kF2r def kF2X3 = kF3 def kF2X3r = kF3r def kF2X4 = kF4 def kF2X5 = kF5 + def kF2Y1r = kF1r def kF2Y2 = kF2 def kF2Y2r = kF2r def kF2Y3 = kF3 def kF2Y3r = kF3r def kF2Y4 = kF4 def kF2Y5 = kF5 +(*def kF2Y1 = kF1*) + +(* Separate rate for fluorophore +def mRepFork2B = mRepX +def mRepJoinBX = mRepJoin +def mRepJoinBY = mRepJoin +def mRepJoinXY = mRepJoin +*) + +def ku1 = kt def ku2 = kt def ku3 = kt +def ut =0.0 def uu1=0.0 def uu2 = 0.0 def uu3=0.0 + +(* Sequence Rates +def kJBX1 = 0.0 def kJBX1r = 0.0 def kJBX2 = 0.0 def kJBX2r = 0.0 def kJBX3 = 0.0 def kJBX3r = 0.0 +def kJBY1 = 0.0 def kJBY1r = 0.0 def kJBY2 = 0.0 def kJBY2r = 0.0 def kJBY3 = 0.0 def kJBY3r = 0.0 +def kJXY1 = 0.0 def kJXY1r = 0.0 def kJXY2 = 0.0 def kJXY2r = 0.0 def kJXY3 = 0.0 def kJXY3r = 0.0 +def kF2B1 = 0.0 def kF2B1r = 0.0 def kF2B2 = 0.0 def kF2B2r = 0.0 def kF2B3 = 0.0 def kF2B3r = 0.0 def kF2B4 = 0.0 def kF2B5 = 0.0 +def kF2X1 = 0.0 def kF2X1r = 0.0 def kF2X2 = 0.0 def kF2X2r = 0.0 def kF2X3 = 0.0 def kF2X3r = 0.0 def kF2X4 = 0.0 def kF2X5 = 0.0 +def kF2Y1 = 0.0 def kF2Y1r = 0.0 def kF2Y2 = 0.0 def kF2Y2r = 0.0 def kF2Y3 = 0.0 def kF2Y3r = 0.0 def kF2Y4 = 0.0 def kF2Y5 = 0.0 + +*) + +(* Base *) +new X0 new Y0 + +def t0JoinBX_B = 1.0 def leakJoinBX_B = 0.24322014 def badJoinBX_B = (6.0 + 0.32425231 - 5.9000668) / 6.0 +def t0JoinBX_X = 1.0 def leakJoinBX_X = 0.11946842 def badJoinBX_X = (6.0 + 0.24609909 - 6.5566584) / 6.0 (* negative *) +def t0JoinBX_H = 1.0 def leakJoinBX_H = 0.097396333 def badJoinBX_H = (6.0 + 0.108521 - 5.9101173) / 6.0 +def t0JoinBX_R1 = 0.5 def leakJoinBX_R1 = 0.5971527 def badJoinBX_R1 = (6.0 + 0.61825693 - 5.3644739) / 6.0 +def t0JoinBX_R2 = 0.5 def leakJoinBX_R2 = 0.78391903 def badJoinBX_R2 = (6.0 + 1.0986007 - 6.1368419) / 6.0 +def t0JoinBX_R3 = 0.5 def leakJoinBX_R3 = 0.79910888 def badJoinBX_R3 = (6.0 + 1.5157708 - 7.0041442) / 6.0 (* negative *) +def t0JoinBY_B = 1.0 def leakJoinBY_B = 0.48863012 def badJoinBY_B = (6.0 + 0.79579046 - 6.0939745) / 6.0 (* 15.9 *) +def t0JoinBY_Y = 1.0 def leakJoinBY_Y = 0.27052827 def badJoinBY_Y = (6.0 + 0.38219716 - 6.6560031) / 6.0 (* negative 4.9 *) +def t0JoinBY_H = 1.0 def leakJoinBY_H = 0.055916679 def badJoinBY_H = (6.0 + 0.038363162 - 7.3458785) / 6.0 (* negative 2.3 *) +def t0JoinBY_R1 = 0.5 def leakJoinBY_R1 = 0.75069688 def badJoinBY_R1 = (6.0 + 0.80157264 - 5.3179004) / 6.0 (* 2.5 *) +def t0JoinBY_R2 = 0.5 def leakJoinBY_R2 = 0.88612285 def badJoinBY_R2 = (6.0 + 1.3410298 - 6.3513315) / 6.0 (* 6.4 *) +def t0JoinBY_R3 = 0.5 def leakJoinBY_R3 = 1.1365071 def badJoinBY_R3 = (6.0 + 2.0343225 - 5.3272129) / 6.0 (* 12.9 *) +def t0JoinXY_X = 1.0 def leakJoinXY_X = 1.6945078 def badJoinXY_X = (6.0 + 1.9423518 - 7.9032565) / 6.0 (* 12.5 *) +def t0JoinXY_Y = 1.0 def leakJoinXY_Y = 0.93308561 def badJoinXY_Y = (6.0 + 0.97638337 - 7.7032293) / 6.0 (* 3.5 *) +def t0JoinXY_H = 1.0 def leakJoinXY_H = 0.0 def badJoinXY_H = (6.0 + 0.0 - 5.4342962) / 6.0 (* 3.5 *) +def t0JoinXY_R1 = 0.5 def leakJoinXY_R1 = 0.3997306 def badJoinXY_R1 = (6.0 + 0.4573801 - 4.5074007) / 6.0 (* 2.1 *) +def t0JoinXY_R2 = 0.5 def leakJoinXY_R2 = 0.50340259 def badJoinXY_R2 = (6.0 + 0.85738814 - 4.7758843) / 6.0 (* 5.0 *) +def t0JoinXY_R3 = 0.5 def leakJoinXY_R3 = 0.73484885 def badJoinXY_R3 = (6.0 + 1.4824177 - 4.896728) / 6.0 (* 12.6 *) +def t0Fork2X_R = 1.0 def leakFork2X_R = 0.470958 def badFork2X_R = (6.0 + 0.9155104 - 6.2511144) / 6.0 (* negative 14.9 *) +def t0Fork2X_H1 = 1.0 def leakFork2X_H1 = 0.24226597 def badFork2X_H1 = (6.0 + 0.42083542 - 5.9889533) / 6.0 (* 8.2 *) +def t0Fork2X_H2 = 1.0 def leakFork2X_H2 = 0.12073307 def badFork2X_H2 = (6.0 + 0.1512095 - 6.1596074) / 6.0 (* 6.1 *) +def t0Fork2B_R = 1.0 def leakFork2B_R = 0.77312019 def badFork2B_R = (6.0 + 0.850197 - 4.8604263) / 6.0 (* 4.4 *) +def t0Fork2B_H1 = 1.0 def leakFork2B_H1 = 0.94868054 def badFork2B_H1 = (6.0 + 1.1182619 - 5.3043056) / 6.0 (* 11.1 *) +def t0Fork2B_H2 = 1.0 def leakFork2B_H2 = 0.88826117 def badFork2B_H2 = (6.0 + 0.90927962 - 5.5840612) / 6.0 (* 4.4 *) +def t0Fork2Y_R = 0.0833 def leakFork2Y_R = 0.18573219 def badFork2Y_R = (6.0 + 0.40505528 - 5.8409924) / 6.0 (* 19.2 *) +def t0Fork2Y_H1 = 1.0 def leakFork2Y_H1 = 0.12224817 def badFork2Y_H1 = (6.0 + 0.18764882 - 5.0428647) / 6.0 (* 24.7 *) +def t0Fork2Y_H2 = 1.0 def leakFork2Y_H2 = 0.092309817 def badFork2Y_H2 = (6.0 + 0.0798445 - 5.2368405) / 6.0 (* 16.9 *) + +def t0BX2X = 0.0833 def leakBX2X_F = 0.087 (*def leakBX2X_J = 0.0*) (* leakJoinBX_X*5.0 *) def badBX2X = 0.0 (*0.087 / 50.0*) +def t0BY2Y = 0.0833 def leakBY2Y_F = 0.96 (*def leakBY2Y_J = 0.0*) (* leakJoinBY_Y*5.0 *) def badBY2Y = 0.0 (*0.96 / 50.0 *) +def t0XY2B = 0.0833 def leakXY2B_F = 1.195 def leakXY2B_J = 0.0 def badXY2B = (30.0 + 3.5 - 30.35) / 30.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tc,c) = +def Translator(r,tq) = +def InputR(a,tb) = +def OutputR(c,tr) = +def CatalystR(b,tr) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Rep_Fork(tc,c,fl) = {tc^*}[c] +def Rep_Join(fl,r,tq) = [r]{tq^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join_AB1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join_AB2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join_AB3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork_C(i,tc,c,tr,r,tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i,tc,c,tb,b,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork_BCD5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def Join(NA,TA,NB,TB,NH,TH,NG,NV,Leak,ta,a,tb,b,tr,r,tq,kJ1,kJ1r,kJ2,kJ2r,kJ3,kJ3r) = +( 1.0 * (NG-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| Leak * Translator(r,tq) +| NA * Input(ta,a) @ TA +| NB * Catalyst(tb,b) @ TB +| NH * Helper(tr,r) @ TH +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) +(* Slow leak +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + ->{kl} [ta^]:[a]:[tb^ b]:[tr^ r]{tq^*} +*) +(* +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + <->{kl,kJ1} {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + +| rxn {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + <->{kJ3r,kJ3} {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ1} [ta^ a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ2r} {ta^*}[a tb^]:[b tr^]:[r tq^] + +*) +(* Unique Context *) +| rxn + Join_AB(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join_AB1(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join_AB2(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join_AB3(ta,a,tb,b,tr,r,tq) +) +def JoinRev(NA,TA,NB,TB,NH,TH,NG,NV,Leak,ta,a,tb,b,tr,r,tq,kJ1,kJ1r,kJ2,kJ2r,kJ3,kJ3r) = +( 1.0 * (NG-Leak) * Join_AB3(ta,a,tb,b,tr,r,tq) +| Leak * Input(ta,a) +| NA * Translator(r,tq) @ TA +| NB * CatalystR(b,tr) @ TB +| NH * InputR(a,tb) @ TH +| NV * Helper(tr,r) +| NV * Catalyst(tb,b) +(* Slow leak +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + ->{kl} [ta^]:[a]:[tb^ b]:[tr^ r]{tq^*} +*) +(* +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + <->{kl,kJ1} {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + +| rxn {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + <->{kJ3r,kJ3} {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ1} [ta^ a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ2r} {ta^*}[a tb^]:[b tr^]:[r tq^] + +*) +(* Unique Context *) +| rxn + Join_AB(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join_AB1(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join_AB2(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join_AB3(ta,a,tb,b,tr,r,tq) +) +def Fork3(N,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,i,td,d,tc,c,tb,b,tr,r,tq,kF1,kF1r,kF2,kF2r,kF3,kF3r,kF4,kF5) = +( 1.0 * (NG-Leak) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) +(* Alternative to reporter leak +| Leak * Output(tc,c) +| Leak * Output(td,d) +*) +| N * Translator(r,tq) @ T +| NH1 * Output1R(b,tr) @ T1 +| NH2 * Output2R(c,tb) @ T2 +| NH3 * Output3R(d,tc) +| NH4 * End(i,td) +| 0 * Helper(tr,r) +(* Unique Context *) +| rxn + Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF1,kF1r} + Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF2,kF2r} + Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF3,kF3r} + Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF4,kF2r} + Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) ->{kF5} Fork_BCD5(i,td,d,tc,c,tb,b,tr,r,tq) + +) +def RepJoin(N,T,NR,r,t,f,km) = +( N * Translator(r,t) @ T +| NR * Rep_Join(f,r,t) +| 0 * Signal_Join(f,r) +| rxn Translator(r,t) + Rep_Join(f,r,t) ->{km} Signal_Join(f,r) + [r t^] +(*| rxn [r]:[t^] ->{km} Signal_Join(f,r) + [r t^]*) +) +def RepFork(N,T,NR,t,c,f,km) = +( N * Output(t,c) @ T +| NR * Rep_Fork(t,c,f) +| 0 * Signal_Fork(c,f) +| rxn Output(t,c) + Rep_Fork(t,c,f) ->{km} Signal_Fork(c,f) + [t^ c] +(*| rxn [t^]:[c] ->{km} Signal_Fork(c,f) + [t^ c]*) +) + +dom t = {seq = CTGATC; bind=kt; unbind=ut; colour=\"red\"} +dom u1 = {seq = CTTCAG; bind=ku1; unbind=uu1; colour=\"orange\"} +dom u2 = {seq = CCATAC; bind=ku2; unbind=uu2; colour=\"blue\"} +dom u3 = {seq = ATACCC; bind=ku3; unbind=uu3; colour=\"green\"} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} +dom FAM = {seq = T; bind=0.0; unbind = 0.0; colour = \"yellow\"} +dom TYE665 = {seq = T; bind=0.0; unbind = 0.0; colour = \"yellow\"} +dom ROX = {seq = T; bind=0.0; unbind = 0.0; colour = \"yellow\"} +dom ALEX488 = {seq = T; bind=0.0; unbind = 0.0; colour = \"yellow\"} +dom TAMRA = {seq = T; bind=0.0; unbind = 0.0; colour = \"yellow\"} +dom ALEX647 = {seq = T; bind=0.0; unbind = 0.0; colour = \"yellow\"} + +(* Circuits that have been measured +system Rep_rxyu1 = { + directive sweeps [s = [N = [0.2,0.4,0.6,0.8]]] + directive simulation {final = 9.9; plots = [Signal_JoinXY()]} + directive data [Rep_rxyu1] + RepJoinXY(N*Xr,t0Rep_rxyu1,4.0*Xr) +} +*) + +new X + + " + Dsd.compile code |> ignore + +[] +[] +let duplicateInitialsWithTime () = + let code = + "def Translator(r,tq) = +( Translator(r,t) @ 1.0 +| Translator(r,t))" + let crn = Dsd.compile code + Assert.Equal(2, crn.initials.Length) + + + +[] +[] +let initialsEqualsSyntax () = + let code = """ +directive simulation { final = 600; plots = [Signal()]; } +directive simulator pde +directive spatial { + boundary = ZeroFlux; + dimensions = 2; + diffusibles = [Input1() = 0.5; Input2() = 0.5]; + xmax = 50; + nx = 101; + dt = 1; +} +directive parameters [ + k = 0.003; + u = 0.1; +] +directive compilation infinite +dom tb = {bind = k; unbind = u; colour = "red"} +dom tx = {bind = k; unbind = u; colour = "green"} +dom to = {bind = k; unbind = u; colour = "blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( Input1() = { spatial = { points = [ {x=0.3; y=0.3; width=0.4; value=10.0}] } } +| Input2() = { spatial = { points = [ {x=0.7; y=0.7; width=0.4; value=10.0}] } } +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +)""" + let crn = Dsd.compile code + let debug = crn.to_string () + () + + + + +[] +[] +let changeSettingsAfterParsing () = + let code = """ +directive simulation { + final = 600; + plots = [Input1(); Input2(); Output(); Signal()]; +} +directive simulator deterministic +directive parameters [ + k = 0.003; + u = 0.1; +] +directive compilation infinite +dom tb = {bind = k; unbind = u; colour = "red"} +dom tx = {bind = k; unbind = u; colour = "green"} +dom to = {bind = k; unbind = u; colour = "blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +)""" + let bundle = Dsd.parse code + let modelWithInfiniteRules = Dsd.convert_expand bundle + if modelWithInfiniteRules.reactions.Length <> 3 then failwith "unexpected number of reactions with infinite rules" + let options = Dsd.get_options bundle + let options = {options with rules = Options.Detailed} + let bundle = Dsd.set_options bundle options + let modelWithDetailedRules = Dsd.convert_expand bundle + if modelWithDetailedRules.reactions.Length <> 8 then failwith "unexpected number of reactions with detailed rules" + () + + +[] +[] +let speciesNamesAssignment () = + let code = """ +directive simulation { final=30000; points=1000; plots = [; ; ; ; < _ h^ X>; ; <4 5^ 2>] } +directive simulator stochastic +directive compilation infinite +( 0 * (* input A *) +| 0 * (* input B *) +| 10 * (* input C *) +| 95 * (* input D *) +| 1 * {a^*}[A i^] +| 1 * {b^*}[B j^] +| 1 * {j^*}[Z i^]:[Y h^] +| 1 * {c^*}[C h^] +| 200 * {d^*}[D k^]:[W] +| 100 * +| 200 * [D]{k^*} +| 1 * {h^*}[X k^]:[W]<1^> +| 10 * +| 1 * <4>[5^ W]{1^*} +| 1300 * <5^ 2 3^ 4> +| 1000 * <4>[5^ 2]:<6>[3^ 4]{5^*} +) +""" + let bundle = Dsd.parse code + let unexpanded = Dsd.convert_unexpanded bundle + let name_of_4_5_2_from_unexpanded = Map.findKey (fun _ (att:Attributes) -> att.structure = "<4 5^ 2>") unexpanded.attributes + let expanded = Dsd.convert_expand bundle + let name_of_4_5_2_from_expanded = Map.findKey (fun _ (att:Attributes) -> att.structure = "<4 5^ 2>") expanded.attributes + if name_of_4_5_2_from_expanded <> name_of_4_5_2_from_unexpanded then failwith (sprintf "name of <4 5^ 2> from unexpanded = %s; from expanded = %s" name_of_4_5_2_from_unexpanded name_of_4_5_2_from_expanded) + () + + +[] +[] +let emptyPlotList () = + let code = """ +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() | 10 Input2() | 0 Output() | 100 Join() | 100 Reporter() | 0 Signal() ) +""" + // Expected behavior: the unexpanded model should have an empty plot list; the expanded model should have a full plot list. + let bundle = Dsd.parse code + let unexpanded = Dsd.convert_unexpanded bundle + if unexpanded.settings.simulation.plots.Length <> 0 then failwith "non-empty plot list in unexpanded" + let expanded = Dsd.convert_expand bundle + if expanded.settings.simulation.plots.Length <> 12 then failwith "unexpected plot list length in expanded" + () + +[] +[] +let summationPlot () = + let code = """ +directive compilation infinite +directive simulation {final=3600.0; plots=[[]+Y0]} +directive parameters [Y0 = 1.0] + +( 30 * [b]{t^*}:[x1 t^]:[x2 t^]:[x2]:[c] +| 30 * [x2]{t^*} +| 100 * +| 100 * +) +""" + // Expected behavior: both the unexpanded and expanded models should have a single plot, which is the sum of a species and a parameter + let bundle = Dsd.parse code + let term = Dsd.convert_unexpanded bundle + if term.settings.simulation.plots.Length <> 1 then failwith "Did not identify a single plot expression" + let expanded = Dsd.convert_expand bundle + if expanded.settings.simulation.plots.Length <> 1 then failwith "Incorrect expansion" + () + + +[] +[] +let generatedSpeciesNamesInCTMC () = + let code = """ +directive simulation {initial=0; final=18000; points=1000; plots=[]} +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, s) = +def OR(Ti1, Input1, Ti2, Input2, To, Output) = + (( {Ti1^*}[Input1 To^] + | {Ti2^*}[Input2 To^])) +def REPORTER(Ti, Input) = {Ti^*}[Input] +new T @ (c0 * bind), unbind +( in1 * STRAND(T,A) +| in2 * STRAND(T,B) +| OR(T,A,T,B,T,C) +| REPORTER(T,C)) +""" + let bundle = Dsd.parse code + let expanded = Dsd.convert_expand bundle + // Verify that the initial species list does not contain duplicate names. + let names = List.map (fun (i:Initial) -> i.species.name) expanded.initials + Assert.Equal(names, (Seq.distinct names)) + () \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/FilzbachTest.fs b/ClassicDSD/ClassicDSDTests/FilzbachTest.fs new file mode 100644 index 0000000..0056d0e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/FilzbachTest.fs @@ -0,0 +1,18 @@ +module Microsoft.Research.DNA.FilzbachTest +// +//open FsUnit +//open FsUnit.Xunit +//open Xunit +// +//open Microsoft.Research.DNA +// +// +//[] +//[] +//let ``Circuits text``() = +// (* Load DSD program *) +// let text = TestUtils.programText "Circuits" +// let t = Dsd.parse text |> Dsd.convert_expand +// +// (* GO! ...think about return value *) +// Microsoft.Research.Filzbach.run t TestUtils.get_file Filzbach.debug_run \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/JoinBX_AddB.txt b/ClassicDSD/ClassicDSDTests/JoinBX_AddB.txt new file mode 100644 index 0000000..2000659 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/JoinBX_AddB.txt @@ -0,0 +1,250 @@ +Time 0 0.2 0.4 0.6 +0.00000 0.33632157 0.34556638 0.33152378 0.34565697 +0.01667 0.31104949 0.33220645 0.31305749 0.33735373 +0.03333 0.30872411 0.33107612 0.31016957 0.32910292 +0.05000 0.30856398 0.33139037 0.3077063 0.33093872 +0.06667 0.30580365 0.33051855 0.31834675 0.33995355 +0.08333 0.31844829 0.33585028 0.32304269 0.3408525 +0.10000 0.31886943 0.33211995 0.32632456 0.34993575 +0.11667 0.3209841 0.33449208 0.32985396 0.35130434 +0.13333 0.33394651 0.33747277 0.33812105 0.34859655 +0.15000 0.32761605 0.33698336 0.3379566 0.35559154 +0.16667 0.33239074 0.35416127 0.33859868 0.35877893 +0.18333 0.3358567 0.3528025 0.33910515 0.35933894 +0.20000 0.34097224 0.35914132 0.35176532 0.36942373 +0.21667 0.34161934 0.36455241 0.3384713 0.3703354 +0.23333 0.34829773 0.35654715 0.35013149 0.36345792 +0.25000 0.34308025 0.35922841 0.34919636 0.36256015 +0.26667 0.3443686 0.3659437 0.35088817 0.36520028 +0.28333 0.35450642 0.36713411 0.35516204 0.36813757 +0.30000 0.36255927 0.36642947 0.35526792 0.37090751 +0.31667 0.34799742 0.36548488 0.35741466 0.38122563 +0.33333 0.36018172 0.36616953 0.35946924 0.37907411 +0.35000 0.35693426 0.36442279 0.3648927 0.37900226 +0.36667 0.36266539 0.37064515 0.36308876 0.37942977 +0.38333 0.36471969 0.37631453 0.3632724 0.38096477 +0.40000 0.35974443 0.37225195 0.36375307 0.38421268 +0.41667 0.36459182 0.37354561 0.36831976 0.38557982 +0.43333 0.35932374 0.37884445 0.35945431 0.38217907 +0.45000 0.36921569 0.37863828 0.3727608 0.3825343 +0.46667 0.36903508 0.37391205 0.36768958 0.38900056 +0.48333 0.36854145 0.38519592 0.36444701 0.38446374 +0.50000 0.36335857 0.37626839 0.37618819 0.38599976 +0.51667 0.37028244 0.37568601 0.37353309 0.38941671 +0.53333 0.37297071 0.37107902 0.36798554 0.38545986 +0.55000 0.37118971 0.38374109 0.36895344 0.38389725 +0.56667 0.37068842 0.38547597 0.36268546 0.38522072 +0.58333 0.36376136 0.382272 0.36833878 0.39014511 +0.60000 0.36728184 0.37688171 0.36598491 0.38783934 +0.61667 0.37954749 0.37947317 0.37309848 0.38797249 +0.63333 0.35848693 0.3891225 0.37498025 0.38880069 +0.65000 0.36516494 0.38260159 0.37388627 0.39806298 +0.66667 0.37945448 0.38482509 0.37497289 0.38945838 +0.68333 0.3810738 0.38346699 0.37130203 0.38667074 +0.70000 0.371703 0.37892366 0.37476868 0.38155249 +0.71667 0.3701294 0.38446729 0.37073337 0.39493604 +0.73333 0.3713074 0.38551424 0.37822563 0.39795028 +0.75000 0.3780934 0.39042825 0.37713876 0.39253575 +0.76667 0.36669648 0.38764616 0.37763504 0.38904015 +0.78333 0.37927539 0.39658045 0.37522555 0.38824503 +0.80000 0.37541517 0.39048039 0.37933985 0.39710624 +0.81667 0.37604388 0.39600473 0.38417218 0.39886873 +0.83333 0.37477797 0.39342456 0.37696557 0.39522139 +0.85000 0.37830139 0.38452863 0.3799989 0.39652075 +0.86667 0.38048099 0.38595001 0.38037459 0.39960793 +0.88333 0.38631554 0.39475024 0.38481887 0.39817096 +0.90000 0.37732553 0.38690745 0.37782392 0.39043714 +0.91667 0.38338744 0.39168427 0.37916345 0.40004117 +0.93333 0.38381218 0.39406542 0.38011986 0.38727884 +0.95000 0.38038675 0.38992732 0.38762086 0.39206155 +0.96667 0.38277437 0.39256066 0.38259247 0.39946254 +0.98333 0.37771285 0.38849878 0.38748782 0.39835817 +1.00000 0.38770189 0.38815271 0.38262937 0.39363788 +1.06236 0.38042466 0.45781956 0.46927127 0.52426685 +1.07447 0.38789636 0.49532261 0.52252361 0.61897511 +1.08653 0.39198163 0.51648433 0.62403475 0.75536607 +1.09856 0.3894489 0.56857884 0.73696407 0.92240164 +1.11061 0.39326636 0.61305137 0.86754643 1.1029628 +1.12261 0.38042758 0.69096421 0.98050236 1.3012484 +1.13464 0.37832637 0.77277744 1.1198811 1.4883275 +1.14681 0.38242488 0.84499587 1.2492915 1.6810223 +1.15889 0.38939631 0.90884805 1.3795198 1.8670768 +1.17089 0.386957 0.96768776 1.5021511 2.032943 +1.18333 0.38887093 1.0199962 1.6224599 2.2030995 +1.20000 0.38146169 1.0958756 1.775738 2.4192562 +1.21667 0.37635609 1.1466702 1.9112219 2.6092851 +1.23333 0.38731945 1.2136974 2.0373459 2.786897 +1.25000 0.38445648 1.2711205 2.1473892 2.9658066 +1.26667 0.38565199 1.3176145 2.2521244 3.105856 +1.28333 0.38258081 1.3611912 2.3721744 3.2325597 +1.30000 0.38846166 1.3982772 2.4504277 3.3675886 +1.31667 0.38169143 1.4305183 2.5301942 3.4855435 +1.33333 0.38637035 1.4713092 2.5853237 3.6112629 +1.35000 0.39021145 1.5119352 2.6705416 3.7247358 +1.36667 0.38789574 1.5421691 2.7281658 3.7925308 +1.38333 0.39011406 1.5683738 2.7902264 3.8999665 +1.40000 0.37669876 1.582524 2.8512981 3.983836 +1.41667 0.38849854 1.6160748 2.889185 4.0628605 +1.43333 0.38575031 1.625397 2.9579034 4.1197918 +1.45000 0.3882063 1.6517429 2.9970995 4.1945903 +1.46667 0.38772766 1.6463638 3.0423837 4.2755375 +1.48333 0.38690619 1.675255 3.0669646 4.3255283 +1.50000 0.39182231 1.6995935 3.1152125 4.3995747 +1.51667 0.38661253 1.6978815 3.143165 4.4510541 +1.53333 0.385326 1.7254897 3.1697575 4.497704 +1.55000 0.3810271 1.7333164 3.2028312 4.5403443 +1.56667 0.38413223 1.7321407 3.242869 4.6007115 +1.58333 0.39224158 1.7528914 3.264049 4.6323563 +1.60000 0.38881605 1.7586345 3.281295 4.6832521 +1.61667 0.39103363 1.7626125 3.3250183 4.7411138 +1.63333 0.38481208 1.7805536 3.3167542 4.7614997 +1.65000 0.39146917 1.782536 3.3649337 4.7995881 +1.66667 0.38585557 1.7927528 3.3709511 4.8478712 +1.68333 0.38969198 1.8071816 3.3965968 4.875605 +1.70000 0.39099478 1.8104163 3.402983 4.8940771 +1.71667 0.38353836 1.8123096 3.4317791 4.947926 +1.73333 0.38498486 1.8043239 3.4550594 4.9727366 +1.75000 0.38965153 1.8148074 3.4488951 5.01545 +1.76667 0.39945685 1.8245251 3.4876428 5.0280448 +1.78333 0.3825028 1.8167462 3.5023437 5.0367802 +1.80000 0.37970527 1.8354951 3.5084831 5.0921976 +1.81667 0.38365193 1.8277569 3.5137125 5.0995097 +1.83333 0.38466122 1.8324362 3.5345944 5.1168772 +1.85000 0.39170333 1.8274957 3.561458 5.1471566 +1.86667 0.38815472 1.8228221 3.5452074 5.1500975 +1.88333 0.38770823 1.8344453 3.574215 5.1924693 +1.90000 0.39611393 1.84173 3.5707885 5.1985239 +1.91667 0.38828857 1.8356502 3.5770839 5.2210216 +1.93333 0.38459923 1.8417347 3.5849977 5.2435396 +1.95000 0.38080378 1.8414514 3.5974899 5.2554328 +1.96667 0.3896916 1.836144 3.6044491 5.2653518 +1.98333 0.39055466 1.8267324 3.6153995 5.2969989 +2.00000 0.39298487 1.8435499 3.6144658 5.299041 +2.01667 0.38932987 1.8534443 3.6365981 5.3087469 +2.03333 0.39004032 1.8519936 3.6327415 5.3351153 +2.05000 0.38657552 1.8551001 3.6469136 5.3525047 +2.06667 0.39901668 1.8434551 3.6631403 5.3436846 +2.08333 0.38558792 1.8482265 3.6576971 5.3643372 +2.10000 0.38858766 1.8501001 3.6725956 5.3755563 +2.11667 0.39341427 1.8461522 3.658031 5.3862218 +2.13333 0.39065027 1.8489159 3.6637052 5.3946508 +2.15000 0.39064749 1.8468578 3.6766205 5.4153862 +2.16667 0.39052685 1.8407661 3.691806 5.4293404 +2.18333 0.38810903 1.8397885 3.6924907 5.4340594 +2.20000 0.39401321 1.8547422 3.7043736 5.448571 +2.21667 0.39991046 1.856754 3.6808951 5.4496815 +2.23333 0.39431429 1.8539315 3.69939 5.4440535 +2.25000 0.39170613 1.8574902 3.7023305 5.4644198 +2.26667 0.3982859 1.8560945 3.706552 5.4712093 +2.28333 0.38632215 1.8585921 3.701134 5.4742547 +2.30000 0.40386971 1.8505598 3.715242 5.480958 +2.31667 0.39472321 1.8550879 3.6953834 5.5240032 +2.33333 0.39257509 1.8640685 3.7192537 5.4992507 +2.35000 0.39634538 1.8593227 3.7337809 5.5230383 +2.36667 0.3887042 1.8592253 3.7338528 5.5234879 +2.38333 0.3923371 1.8582699 3.73618 5.5360329 +2.40000 0.38957314 1.8649368 3.7325336 5.5226345 +2.41667 0.39340226 1.8782676 3.743054 5.5653366 +2.43333 0.3938533 1.869585 3.7283886 5.5512191 +2.45000 0.40302663 1.8619754 3.7206904 5.5551199 +2.46667 0.39272391 1.8641048 3.74773 5.5857569 +2.48333 0.40020996 1.869973 3.7384068 5.5613746 +2.50000 0.39331927 1.87394 3.7560327 5.5700619 +2.51667 0.39732376 1.8728452 3.740912 5.5833495 +2.53333 0.39688714 1.875196 3.7660644 5.583474 +2.55000 0.40161186 1.8722764 3.770951 5.5870635 +2.56667 0.39530036 1.8782996 3.7470002 5.5958437 +2.58333 0.38886812 1.8759252 3.7621242 5.5946804 +2.60000 0.39203274 1.8750704 3.7608274 5.6133482 +2.61667 0.40661143 1.8719594 3.7461607 5.606155 +2.63333 0.39507838 1.8729111 3.7655709 5.6143207 +2.65000 0.39508152 1.8862381 3.7607079 5.6132537 +2.66667 0.38789774 1.8768698 3.7613615 5.6173407 +2.68333 0.39890829 1.8851438 3.7651347 5.6057575 +2.70000 0.398453 1.8742584 3.7615185 5.6421669 +2.71667 0.39611718 1.8909336 3.7822957 5.6107975 +2.73333 0.40001145 1.8863417 3.7689904 5.6352997 +2.75000 0.4028578 1.8803517 3.766845 5.6406772 +2.76667 0.41004836 1.8792134 3.7738469 5.6275655 +2.78333 0.40026023 1.8868093 3.7546883 5.6403178 +2.80000 0.39808048 1.8908135 3.7784334 5.6450496 +2.81667 0.39286059 1.8813989 3.7657105 5.65153 +2.83333 0.40081449 1.8894127 3.7848415 5.6525045 +2.85000 0.39526231 1.8850439 3.7897389 5.6511816 +2.86667 0.40133611 1.8811171 3.7874477 5.6516754 +2.88333 0.39993733 1.8870732 3.7988383 5.6585858 +2.90000 0.3991921 1.8876666 3.7837731 5.6490125 +2.91667 0.40198126 1.8852579 3.7744994 5.668494 +2.93333 0.39942271 1.8910081 3.7733766 5.6688934 +2.95000 0.39882746 1.8956528 3.7764596 5.6774558 +2.96667 0.40095965 1.9029801 3.7816298 5.6653711 +2.98333 0.39574049 1.887885 3.794035 5.6717762 +3.00000 0.3997071 1.8901015 3.7851261 5.6679801 +3.01667 0.40430515 1.8954834 3.7850726 5.6847904 +3.03333 0.40163139 1.8960935 3.783507 5.6697107 +3.05000 0.40514757 1.8875136 3.7988104 5.6688289 +3.06667 0.39822433 1.899339 3.7787833 5.6908698 +3.08333 0.39409292 1.8868982 3.7902303 5.6883669 +3.10000 0.39176419 1.8839479 3.7895119 5.6884312 +3.11667 0.39845834 1.8902071 3.7886667 5.6865381 +3.13333 0.40058332 1.9046078 3.7926684 5.6892611 +3.15000 0.40199781 1.8984692 3.7899451 5.6801896 +3.16667 0.40563479 1.8993765 3.7844164 5.6882969 +3.18333 0.39354283 1.8910705 3.7872823 5.6894345 +3.20000 0.39493171 1.9004351 3.7915625 5.6809208 +3.21667 0.40466332 1.8978145 3.7969835 5.6922658 +3.23333 0.40068063 1.8886466 3.8052894 5.7126839 +3.25000 0.39186263 1.8907878 3.8007929 5.6988307 +3.26667 0.39981901 1.8909389 3.7937394 5.6883002 +3.28333 0.40592258 1.9072394 3.7893643 5.7068271 +3.30000 0.40045458 1.9071238 3.7849075 5.699426 +3.31667 0.39842627 1.8981966 3.7919185 5.7099488 +3.33333 0.4087871 1.8953741 3.8030421 5.7162953 +3.35000 0.40329276 1.891063 3.7956992 5.6999271 +3.36667 0.4016849 1.896216 3.8091295 5.7255562 +3.38333 0.39326803 1.9074688 3.7973595 5.7119718 +3.40000 0.3956425 1.9097395 3.7993001 5.7094767 +3.41667 0.39832381 1.8992423 3.7966351 5.7183546 +3.43333 0.40981364 1.8938413 3.7934885 5.7242887 +3.45000 0.41523901 1.901153 3.8159391 5.7108184 +3.46667 0.40249044 1.8940372 3.8040308 5.7299789 +3.48333 0.40138339 1.8983268 3.7926217 5.7064379 +3.50000 0.40039996 1.9028807 3.8060165 5.7303209 +3.51667 0.40870023 1.9056187 3.8026788 5.722673 +3.53333 0.40724515 1.9010925 3.7957079 5.7160977 +3.55000 0.40070552 1.8980698 3.8002011 5.7388828 +3.56667 0.39728748 1.8982757 3.8187259 5.7337498 +3.58333 0.40717669 1.9073155 3.7899924 5.730327 +3.60000 0.40898671 1.9033946 3.8117702 5.702952 +3.61667 0.4069542 1.9076497 3.7977398 5.727442 +3.63333 0.41183147 1.9123776 3.8076907 5.7430299 +3.65000 0.41383715 1.9069983 3.8124963 5.7475408 +3.66667 0.39778345 1.8967067 3.8051004 5.7215579 +3.68333 0.39946216 1.8990916 3.8122403 5.7195973 +3.70000 0.40523382 1.9045689 3.8044281 5.724362 +3.71667 0.40677495 1.8939511 3.8020212 5.7315702 +3.73333 0.3986713 1.9023583 3.8049442 5.7327504 +3.75000 0.40567958 1.9128184 3.8177956 5.7292313 +3.76667 0.40812644 1.9046347 3.8092977 5.7361281 +3.78333 0.4001143 1.9105029 3.8161409 5.7339546 +3.80000 0.40531963 1.9035907 3.8038896 5.7362108 +3.81667 0.40246457 1.8937678 3.7986756 5.729874 +3.83333 0.41227685 1.8997724 3.8165534 5.7342147 +3.85000 0.40595446 1.9077993 3.8131893 5.7263381 +3.86667 0.41013766 1.8953677 3.8064377 5.7395219 +3.88333 0.40442866 1.8999967 3.8182116 5.7246743 +3.90000 0.40895524 1.9154381 3.7994433 5.7362139 +3.91667 0.40332861 1.9047444 3.8149926 5.7376441 +3.93333 0.41003167 1.9083659 3.8124744 5.7391849 +3.95000 0.40607929 1.9117176 3.8148339 5.7427937 +3.96667 0.39768439 1.898244 3.799163 5.7272644 +3.98333 0.4007115 1.8956759 3.8042229 5.742151 +4.00000 0.40674852 1.9033789 3.8142416 5.7309597 +4.01667 0.4065113 1.9150804 3.8197435 5.7304747 +4.03333 0.40378264 1.9098553 3.8103116 5.7316462 +4.05000 0.39687692 1.9076694 3.8171916 5.7460572 +4.06667 0.40494523 1.8990785 3.810714 5.7416735 +4.08333 0.40778962 1.9050921 3.8071768 5.7372672 +4.10000 0.41227758 1.9090062 3.8338195 5.7411125 +4.11667 0.39908005 1.9005502 3.7996356 5.7412299 +4.13333 0.39905442 1.9048858 3.8120311 5.7372244 diff --git a/ClassicDSD/ClassicDSDTests/OldSyntax.fs b/ClassicDSD/ClassicDSDTests/OldSyntax.fs new file mode 100644 index 0000000..b8c6736 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/OldSyntax.fs @@ -0,0 +1,174 @@ +module Microsoft.Research.DNA.OldSyntax + +open FsUnit +open Xunit +open Microsoft.Research.DNA +open System.IO + +(********************************************************************** + * Tests for convertSL, which converts a Visual DSD program into + * a Classic DSD programs. The test data is the suite of online examples + * in Visual DSD. Converted files are stored in the CLASSIC_DSD folder. + * Conversion of JIT, directive fit, Z3 queries and spatial examples + * is currently unspported. + **********************************************************************) + + +(* Test functions *) + +// append a name to a file path +let (+/) = TestUtils.(+/) + +let load fileName = + let projectDir = Directory.GetParent(Directory.GetCurrentDirectory()).Parent.Parent.Parent.FullName.Trim [|' ';'\r';'\n';'\t'|] + let fileName = projectDir +/ TestUtils.TEST_FOLDER +/ TestUtils.VISUAL_DSD +/ fileName + File.ReadAllText fileName + +let save (fileName : string) extension content = + let projectDir = Directory.GetParent(Directory.GetCurrentDirectory()).Parent.Parent.Parent.FullName.Trim [|' ';'\r';'\n';'\t'|] + let fileDotDna = fileName.Replace (".vdsd", extension) + let path = projectDir +/ TestUtils.TEST_FOLDER +/ TestUtils.CLASSIC_DSD +/ fileDotDna + File.WriteAllText (path, content) + +// convert a file, save it, and try to expand it to CRN +let test isJit fileName = + let code = load fileName + let translation = code |> SLConversion.convertSL + + if isJit + then + // parse translation only. Skip CRN expansion, since it might not terminate in JIT + Dsd.parse translation |> ignore + else + // test expansion to crn + let bundle = Dsd.parse translation + let crn = Dsd.convert_expand bundle + crn.to_string + |> ignore + + // save the expanded file in a .dna + save fileName ".dna" translation + + +(**********************************************************) +(**********************************************************) +(************** Test cases ******************************) +(**********************************************************) +(**********************************************************) + +[] +[] +let ``Visual DSD legacy parser``()= + System.Threading.Thread.CurrentThread.CurrentCulture <- System.Globalization.CultureInfo.InvariantCulture + System.Threading.Thread.CurrentThread.CurrentUICulture <- System.Globalization.CultureInfo.InvariantCulture + let tests = [ "Scienze 2007 - Catalytic.vdsd" + "Scienze 2007 - Catalytic Directives.vdsd" + "Tutorial, VEMDP 2014 - Join.vdsd" + "Tutorial, VEMDP 2014 - Join Reporter.vdsd" + (** [] + "Tutorial, VEMDP 2014 - Join Reporter Z3.vdsd" **) + "Tutorial, VEMDP 2014 - Join Directives.vdsd" + "Tutorial, VEMDP 2014 - Join Events.vdsd" + (** [] + "Tutorial, VEMDP 2014 - Join Fit.vdsd" **) + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.vdsd" + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.vdsd" + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.vdsd" + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.vdsd" + "Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.vdsd" + "Kim et al., Mol Syst Biol 2011 - Oscillator.vdsd" + "Montagne et al., Mol Syst Biol 2011 - Oscillator.vdsd" + "Lakin et al., DNA 2014 - Transmission lines.vdsd" + "Lakin et al., DNA 2014 - Remote transmission lines.vdsd" + "Lakin et al., DNA 2014 - Threshold spatial AND.vdsd" + """Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.vdsd""" + (** + [] + "Dalchau et al., DNA 2014 - Autocatalytic Spatial.vdsd" + "Dalchau et al., DNA 2014 - Lotka Spatial.vdsd" + + [] + "Dalchau et al., DNA 2014 - Consensus Spatial.vdsd" + **) + "Lakin, Parker et al., Interface 2012 - Model-checking examples.vdsd" + "Lakin et al., Interface 2012 - Join gates.vdsd" + "Lakin et al., Interface 2012 - Buffered oscillators.vdsd" + "Lakin et al., Interface 2012 - Unbuffered oscillators.vdsd" + "Co-operative - Lotka.vdsd" + "Co-operative - Mapk.vdsd" + "Simple - AND Circuit.vdsd" + "Simple - Migrations.vdsd" + "3-domain, DNA 2016 - Transducer.vdsd" + "3-domain, DNA 2016 - Transducer Composition.vdsd" + "3-domain, DNA 2016 - Buffered Transducer.vdsd" + "3-domain, DNA 2016 - Buffered Fork.vdsd" + "3-domain, DNA 2016 - Buffered Join.vdsd" + "3-domain, DNA 2016 - Oscillating.vdsd" + "3-domain, DNA 2016 - Ultrasensitive.vdsd" + "2-domain, DCM - Two-domain transducer.vdsd" + """2-domain, DCM - Two domain fork-join.vdsd""" + "Zhang, Science 2007 - Fluorescent Catalytic.vdsd" + "Zhang, Science 2007 - Autocatalytic.vdsd" + "Zhang, Science 2007 - Feed forward.vdsd" + "Zhang, Science 2007 - Cross Catalytic.vdsd" + "Zhang, Science 2007 - And Gate.vdsd" + "Zhang, Science 2007 - Independent Input.vdsd" + "Square root - Qian and Winfree 4 bit square root circuit.vdsd" + "Localization - OR gate.vdsd" + "Localization - OR gate with nicks.vdsd" + "Localization - AND gate.vdsd" + "Localization - AND gate with nicks.vdsd" + "Localization - Wires.vdsd" + "Localization - OR of ANDs.vdsd" + "Localization - Square root.vdsd" + "Nature Nanotech 2013 - Consensus Modules.vdsd" + "Nature Nanotech 2013 - Consensus Parameterized.vdsd" + (** [] + "Parameter Inference - Reporter.vdsd" + "Parameter Inference - Join + Reporter.vdsd" + **) + (** [] + "Formal Analysis - (buggy) 2 Transducers.vdsd" + "Formal Analysis - 2 Transducers.vdsd" + "Formal Analysis - (buggy) 3 Transducers.vdsd" + "Formal Analysis - 3 Transducers.vdsd" + "Formal Analysis - (buggy) 10 Transducers.vdsd" + "Formal Analysis - 10 Transducers.vdsd" + **) + "Formal Analysis - (localized) Fanout.vdsd" + "Formal Analysis - Fanout.vdsd" + "Formal Analysis - And.vdsd" + "Formal Analysis - Or.vdsd" + "Formal Analysis - (localized) SQRT.vdsd" + "Formal Analysis - (localized Fanout) SQRT.vdsd" + "Formal Analysis - SQRT.vdsd"] + List.map (test false) tests |> ignore + + let jitTests = [ "Simple - Monomers.vdsd" + "Simple - Hairpin-free HCR.vdsd" + "Stack Machine, DNA17 - Ripple carry adder.vdsd" ] + List.map (test true) jitTests |> ignore + + +[] +let ``Visual DSD legacy parser - functional rate``() = + System.Threading.Thread.CurrentThread.CurrentCulture <- System.Globalization.CultureInfo.InvariantCulture + let code = """directive parameters + [ k1 = 0.07 + ; k2 = 0.17 + ; k3 = 0.02 ] +directive simulation deterministic +directive duration 0,100 +directive scale 500.0 + +( {e1} | +| {e2} | +| rxn {e1} + <->{k1,k3} {es1} +| rxn {es1} ->{k2} {e1} + [x] +| rxn {e2} + ->[(k2 * []) / ((k2+k3)/k1 + [])] {e2} + [y] +) +""" + code + |> SLConversion.convertSL + |> Dsd.compile + |> ignore \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/PropertyTesting.fs b/ClassicDSD/ClassicDSDTests/PropertyTesting.fs new file mode 100644 index 0000000..158ce23 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/PropertyTesting.fs @@ -0,0 +1,91 @@ +module Microsoft.Research.DNA.PropertyTesting + +open FsUnit +open FsUnit.Xunit +open Xunit + +open FsCheck +open DSDGenerators + +open Microsoft.Research.DNA +module Prim = Microsoft.Research.CRNEngine.Expression +module Mset = Microsoft.Research.CRNEngine.Mset +module Lib = Microsoft.Research.CRNEngine.Lib + +[] +[] +let ``Melting before and after normalization`` () = + Arb.register() |> ignore + + let display = Lib.string_of_list Species.display ", " + + let meltIsNormMelt (s:Species.t) = + TestUtils.debug ("Melting\n" + Species.display s) + let m = s |> Species.melt + let n = s |> Species.standard_form Options.default_options |> Species.melt + TestUtils.debug ("Comparing\n" + display m + "\nand\n" + display n) + Lib.is_permutation (Species.equal Options.default_options) m n + + Check.One ({ Config.QuickThrowOnFailure with MaxTest = 20 + StartSize = 2 + EndSize = 15 }, meltIsNormMelt) + +//[] +//let ``Melting before and after expansion`` () = +// Arb.register() |> ignore +// +// let build (s, n:int) = { Populations.empty () with initial = true; population = Prim.Float (float n) } +// let expand ss = +// let pops = ss |> Mset.from_list |> Mset.collectm build |> Populations.from_pop_info_list +// let options = Options.default_options |> Options.setPolymers true +// let expanded_pops = Dsd.compile options "" |> Term.set_populations pops |> Dsd.expandspecies (ref false) |> Term.get_populations +// expanded_pops +// |> Populations.get_pop_info_list +// |> List.map (fun pi -> (pi.calculus_species, Prim.eval (fun _ -> 0.0) pi.population |> int)) +// |> Mset.from_mlist +// |> Mset.to_list +// +// let display = Lib.string_of_list Species.display ", " +// +// let meltIsExpMelt (ss:list) = +// TestUtils.debug ("Melting\n" + display ss) +// let m = ss |> List.collect Species.melt +// let e = ss |> expand |> List.collect Species.melt +// TestUtils.debug ("Comparing\n" + display m + "\nand\n" + display e) +// Lib.is_permutation (Species.equal Dsd.empty_meta.options) m e +// +// Check.One ( { Config.QuickThrowOnFailure with MaxTest = 30 +// StartSize = 0 +// EndSize = 15 +// (*Replay = (1992430798,295889214) |> Random.StdGen |> Some*) } +// , meltIsExpMelt ) +// +//[] +//let ``Melting before and after reaction`` () = +// Arb.register() |> ignore +// +// let build (s, n:int) = { Populations.empty_pop_info s with Populations.initial = true; Populations.population = Prim.Float (float n) } +// let expand ss = +// let pops = ss |> Mset.from_list |> Mset.collectm build |> Populations.from_pop_info_list +// let options = Options.default_options |> Options.setPolymers true +// let term, pis = Dsd.compile options "" |> Term.set_populations pops |> Dsd.prepare_expansion +// Dsd.step_expansion (ref false) term pis |> fst +// +// let display = Lib.string_of_list Species.display ", " +// +// let test_reaction (r: Reaction.t) = +// TestUtils.debug ("Testing reaction\n" + Reaction.toString r Species.display Prim.to_string) +// let mr = r.reactants |> Mset.to_list |> List.collect Species.melt +// let mp = r.products |> Mset.to_list |> List.collect Species.melt +// TestUtils.debug ("Comparing reactant strands\n" + display mr + "\nand product strands\n" + display mp) +// Lib.is_permutation (Species.equal Dsd.empty_meta.options) mp mr |> should be (equal true) +// +// let reactionsPreserveMelting (ss:list) = (* Consider just using one or two species, to get smaller counter examples *) +// TestUtils.debug ("Building term from\n" + display ss) +// ss |> expand |> Term.get_reactions |> List.iter test_reaction +// +// Check.One ( { Config.QuickThrowOnFailure with MaxTest = 300 +// StartSize = 3 +// EndSize = 20 +// (*Replay = (1992430798,295889214) |> Random.StdGen |> Some*) } +// , reactionsPreserveMelting ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/PruneTest.dna b/ClassicDSD/ClassicDSDTests/PruneTest.dna new file mode 100644 index 0000000..78f4575 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/PruneTest.dna @@ -0,0 +1,58 @@ +directive simulation { final = 40000.0; points = 1000; plots = []} +directive deterministic {stiff = true} + +directive compilation infinite + +directive fit_run { burnin = 1000 + ; samples = 1000 + ; thin = 10 + ; separatenoise = false } + +(* Events for forward direction *) +directive event 10.0 * N @ T1_BX + +directive parameters [ +kBind,(1.0e-5,1.0e-2),0.0001,log,random; + +T1_BX = 7313.346; +NRepR = 30.0; NMi = 100.0; NG = 30.0; +N=0.6; dummy1 = 0.0; dummy2 = 0.0; +leakJoinBX_B = 0.24 +] +(* Directives for parameter inference *) +(*directive sweep sweepJoinBX_AddB = { N = [0.0,0.2,0.4,0.6], dummy1 = [0.0] } +directive fit { sweepJoinBX_AddB; JoinBX_AddB; < rbx> }*) + +dom t = {seq = CTGATC; bind=kBind} (* bind=kbt; unbind=kut} *) +dom u1 = {seq = CTTCAG; bind=kBind} (* bind=kbu1; unbind=kuu1} *) +dom u2 = {seq = CTTCAG; bind=kBind} (* bind=kbu1; unbind=kuu1} *) +dom u3 = {seq = CTTCAG; bind=kBind} (* bind=kbu1; unbind=kuu1} *) +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +(* dom fl = {seq = TCT; bind=kBind } *) + dom fq = {seq = T; bind=kBind } + dom rq = {seq = TAC; bind=kBind } + +def RepR(x,tx) = [ x]{tx^*} + +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] + +def Join( inputOne, inputTwo, inputThree, gate, leak, t1,d1,t2,d2,t3,d3,t4) = +( (gate - leak) * Join_AB(t1,d1,t2,d2,t3,d3,t4) +| inputOne * +| inputTwo * +| inputThree * +| leak * +) + +def RepJoinR(N,NR,r,tq) = +( N * +| NR * RepR(r,tq) +) + +( RepJoinR(0.0, NRepR,rbx,u1) +| Join(0.0,NMi,NMi,NG,leakJoinBX_B,t,b,t,x,t,rbx,u1) +| dummy1*Join(0.0,NMi,NMi,NG,leakJoinBX_B,t,b,t,x,t,rbx,u2) +| dummy2*Join(0.0,NMi,NMi,NG,leakJoinBX_B,t,b,t,x,t,rbx,u3) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/ReinParser.fs b/ClassicDSD/ClassicDSDTests/ReinParser.fs new file mode 100644 index 0000000..3c5ba3c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/ReinParser.fs @@ -0,0 +1,789 @@ +module Microsoft.Research.DNA.ReinParser + +open Xunit +open Parser + +(** TOKENS **) +let DIRECTIVE = "directive" +let UNIQUENESS = "uniqueness" +let LIMIT = "limit" +let REGULATION = "regulation" +let LENGTH = "length" +let UPDATES = "updates" +let UPATH = "path" +let INTERACTIONS = "interactions" +let FULL = "full" +let PATHS = "paths" +let LEGACY = "legacy" +let CARDINALITY = "cardinality" +let DEFAULT = "default" +let NOTHRESHOLDS = "noThresholds" +let SYNC = "sync" +let ASYNC = "async" +let FIXPOINT = "fixpoint" +let HYPOTHESIS = "hypothesis" +let SAT = "satisfies" +let POS = "positive" +let NEG = "negative" +let OPT = "optional" +let KOT = "KO" +let FET = "FE" + +let IMPLIES = "implies" +let TRUE = "true" +let FALSE = "false" +let NOT = "not" +let AND = "and" +let OR = "or" + +(* symbols*) +let SAT_SYM = "|=" +let TO = ".." +let COMMA = "," +let PLUS = "+" +let MINUS = "-" +let EXCL = "!" + +// punctuation +let ASSIGN = ":=" +let LCBRA = "" +let RCBRA = "" +let LSBRA = "[" +let RSBRA = "]" +let LPAREN = "(" +let RPAREN = ")" +let DOT = "." + +// Logical +let NOT_SYM = "!" +let AND_SYM = "&" +let OR_SYM = "|" +let IMPLIES_SYM = "=>" +let EQ = "=" +let EOL = ";" + + +let keywords = [| + DIRECTIVE + UNIQUENESS + LIMIT + REGULATION + LENGTH + UPDATES + UPATH + INTERACTIONS + FULL + PATHS + LEGACY + CARDINALITY + DEFAULT + NOTHRESHOLDS + SYNC + ASYNC + FIXPOINT + HYPOTHESIS + SAT + POS + NEG + OPT + KOT + FET + IMPLIES + TRUE + FALSE + NOT + AND + OR +|] + + +let pint = pint32 .>> spaces + + + +let pidentifier = pTry (many1Satisfy (fun c -> isLetter c || isDigit c || c = '_') + >>= fun str -> if Array.contains str keywords + then failParser <| "keyword \"" + str + "\" cannot be used as an identifier" + else preturn str .>> spaces + ) "an identifier" +type vars = NameVar of string + | PathVar of string + +//variable names +let pname = pchar '$' >>. pidentifier |>> NameVar // alpha+ NAME (lexeme lexbuf) //property +let ppath = pchar '#' >>. pidentifier |>> PathVar // alpha+ PATH (lexeme lexbuf) //experiment + + +// predicates +type predicate = AbsPred of vars + | ConcPred of vars * int * vars + | AbsPPred of vars * int + | AbsKPred of vars * vars +let ppredicate = + choice [ + pname >>= fun n -> + choice + [ + sqBrackets pint >>= fun i -> preturn (AbsPPred (n, i)) + preturn (AbsPred n) + ] + ] + + +// integer lists +let pints = sepBy1 + (pint >>= fun i -> choice [ kw TO >>. pint >>= fun j -> preturn [i..j] + ; preturn [i]]) + (kw COMMA) + |>> (List.concat >> List.distinct) + +//BTerm: +type bvar = AbsStateVar of string + | AbsPStateVar of int * string + | AbsKStateVar of vars * string + | StateVar of vars * int * string + | KOVar of vars * string + | FEVar of vars * string + | AbsKOVar of string + | AbsFEVar of string + +type bterm = BConst of bool + | BVar of bvar + | Fixpoint of vars * int + | Pred of predicate + +let pbSpecies = + pidentifier >>= fun sp -> + choice [ + sqBrackets pint |>> fun i -> BVar (AbsPStateVar (i, sp)) + preturn (BVar (AbsStateVar sp)) + ] + +let pbTerm = + choice [ + kw TRUE >>. preturn (BConst true) + kw FALSE >>. preturn (BConst false) + pint >>= fun i -> preturn (if i > 0 then BConst true else BConst false) + ppredicate >>= (Pred >> preturn) + ppath >>= fun p -> + choice [ + sqBrackets pint >>= fun i -> + choice [ + kw DOT >>. pidentifier >>= fun sp -> preturn (BVar(StateVar(p,i,sp))) + kw SAT >>. pname >>= fun n -> preturn (Pred (ConcPred (n, i, p))) + kw SAT_SYM >>. pname >>= fun n -> preturn (Pred (ConcPred (n, i, p))) + ] + kw DOT >>. + choice [ + kw KOT >>. paren pidentifier >>= fun sp -> preturn (BVar (KOVar (p, sp))) + kw FET >>. paren pidentifier >>= fun sp -> preturn (BVar (FEVar (p, sp))) + pidentifier >>= fun sp -> preturn (BVar (AbsKStateVar (p, sp))) + ] + kw SAT >>. pname >>= fun n -> preturn (Pred (AbsKPred (n, p))) + ] + kw KOT >>. paren pidentifier >>= (AbsKOVar >> BVar >> preturn) + kw FET >>. paren pidentifier >>= (AbsFEVar >> BVar >> preturn) + kw FIXPOINT >>. paren (ppath .>>. sqBrackets pint) >>= (Fixpoint >> preturn) + ] + +//BExpr: +type bexpr = BTerm of bterm + | Beq of bexpr * bexpr + | BImp of bexpr * bexpr + | BAnd of bexpr * bexpr + | BOr of bexpr * bexpr + | BNot of bexpr + +let rec pbAtom isNested st = + if isNested + then + choice [ + pbTerm |>> BTerm + pbSpecies |>> BTerm + paren (pbExpr true) + ] st + else + choice [ + pbTerm |>> BTerm + paren (pbExpr true) + ] st + +and pbExpr isNested st = + choice [ + pbAtom isNested >>= fun e1 -> + choice [ + kw EQ >>. pbExpr true >>= fun e2 -> preturn (Beq (e1, e2)) + kw IMPLIES >>. pbExpr true >>= fun e2 -> preturn (BImp (e1, e2)) + kw IMPLIES_SYM >>. pbExpr true >>= fun e2 -> preturn (BImp (e1, e2)) + kw AND >>. pbExpr true >>= fun e2 -> preturn (BAnd (e1, e2)) + kw AND_SYM >>. pbExpr true >>= fun e2 -> preturn (BAnd (e1, e2)) + kw OR >>. pbExpr true >>= fun e2 -> preturn (BOr (e1, e2)) + kw OR_SYM >>. pbExpr true >>= fun e2 -> preturn (BOr (e1, e2)) + preturn e1 + ] + kw NOT_SYM >>. pbExpr true |>> BNot + kw NOT >>. pbExpr true |>> BNot + ] + st + +//Interaction: +type interaction = Interaction of string * string * bool * bool +let pinteraction sp1 = pidentifier >>= fun sp2 -> + choice [ + kw POS >>. + choice [ + kw OPT >>. preturn (Interaction (sp1, sp2, true, false)) + preturn (Interaction (sp1, sp2, true, true)) + ] + kw NEG >>. + choice [ + kw OPT >>. preturn (Interaction (sp1, sp2, false, false)) + preturn (Interaction (sp1, sp2, false, true)) + ] + ] + +//Species: + +type species = Species of string * int list option * bool * bool * bool + +let pintsOpt = choice [ paren pints |>> Some + preturn None ] + +let pspecies sp = + choice [ + sqBrackets ( + choice [ + // | PLUS RSBRA LPAREN Ints RPAREN {Species($1,Some($6),false,true,false)} + // | PLUS RSBRA {Species($1,None ,false,true,false)} + // | PLUS MINUS RSBRA LPAREN Ints RPAREN {Species($1,Some($7),true,true,false)} + // | PLUS MINUS RSBRA {Species($1,None,true,true,false)} + // | PLUS MINUS EXCL RSBRA LPAREN Ints RPAREN {Species($1,Some($8),true,true,true)} + // | PLUS MINUS EXCL RSBRA {Species($1,None,true,true,true)} + // | PLUS EXCL RSBRA LPAREN Ints RPAREN {Species($1,Some($7),false,true,true)} + // | PLUS EXCL RSBRA {Species($1,None,false,true,true)} + // | PLUS EXCL MINUS RSBRA LPAREN Ints RPAREN {Species($1,Some($8),true,true,true)} + // | PLUS EXCL MINUS RSBRA {Species($1,None,true,true,true)} + kw PLUS >>. choice [ + kw MINUS >>. choice [ + kw EXCL >>. preturn (true, true, true) + preturn (true, true, false) + ] + + kw EXCL >>. choice [ + kw MINUS >>. preturn (true,true,true) + preturn (false,true,true) + ] + + preturn (false,true,false) + ] + + //| SPECIES LSBRA MINUS RSBRA LPAREN Ints RPAREN {Species($1,Some($6),true,false,false)} + //| SPECIES LSBRA MINUS RSBRA {Species($1,None,true,false,false)} + //| SPECIES LSBRA MINUS PLUS RSBRA LPAREN Ints RPAREN {Species($1,Some($7),true,true,false)} + //| SPECIES LSBRA MINUS PLUS RSBRA {Species($1,None, true,true,false)} + //| SPECIES LSBRA MINUS PLUS EXCL RSBRA LPAREN Ints RPAREN {Species($1,Some($8), true,true,true)} + //| SPECIES LSBRA MINUS PLUS EXCL RSBRA {Species($1,None, true,true,true)} + //| SPECIES LSBRA MINUS EXCL RSBRA LPAREN Ints RPAREN {Species($1,Some($7),true,false,true)} + //| SPECIES LSBRA MINUS EXCL RSBRA {Species($1,None, true,false,true)} + //| SPECIES LSBRA MINUS EXCL PLUS RSBRA LPAREN Ints RPAREN {Species($1,Some($8),true,true,true)} + //| SPECIES LSBRA MINUS EXCL PLUS RSBRA {Species($1,None, true,true,true)} + kw MINUS >>. choice [ + kw PLUS >>. choice [ + kw EXCL >>. preturn (true, true, true) + preturn (true, true, false) + ] + + kw EXCL >>. choice [ + kw PLUS >>. preturn (true,true,true) + preturn (true,false,true) + ] + + preturn (true,false,false) + ] + + // | SPECIES LSBRA EXCL RSBRA LPAREN Ints RPAREN {Species($1,Some($6),false,false,true)} + // | SPECIES LSBRA EXCL RSBRA {Species($1,None ,false,false,true)} + // | SPECIES LSBRA EXCL PLUS RSBRA LPAREN Ints RPAREN {Species($1,Some($7),false,true,true)} + // | SPECIES LSBRA EXCL PLUS RSBRA {Species($1,None ,false,true,true)} + // | SPECIES LSBRA EXCL PLUS MINUS RSBRA LPAREN Ints RPAREN {Species($1,Some($8),true,true,true)} + // | SPECIES LSBRA EXCL PLUS MINUS RSBRA {Species($1,None ,true,true,true)} + // | SPECIES LSBRA EXCL MINUS RSBRA LPAREN Ints RPAREN {Species($1,Some($7),true,false,true)} + // | SPECIES LSBRA EXCL MINUS RSBRA {Species($1,None ,true,false,true)} + // | SPECIES LSBRA EXCL MINUS PLUS RSBRA LPAREN Ints RPAREN {Species($1,Some($8),true,true,true)} + // | SPECIES LSBRA EXCL MINUS PLUS RSBRA {Species($1,None ,true,true,true)} + kw EXCL >>. choice [ + kw PLUS >>. choice [ + kw MINUS >>. preturn (true, true, true) + preturn (false, true, true) + ] + + kw MINUS >>. choice [ + kw PLUS >>. preturn (true,true,true) + preturn (true,false,true) + ] + + preturn (false,false,true) + ] + ] + ) .>>. pintsOpt >>= fun ((b1,b2,b3), is) -> preturn (Species (sp,is,b1,b2,b3)) + // | SPECIES LPAREN Ints RPAREN {Species($1,Some($3),false,false,false)} + // | SPECIES {Species($1,None,false,false,false)} + pintsOpt >>= fun is -> preturn (Species (sp,is,false,false,false)) + ] + +//Directive: +type uniqueness = UInteractions + | UModel + | UAll + | UPath of vars * int +type regulation = RDefault + | RCardinality + | RLegacy + | RNoThresholds +type updates = USync + | UAsync +type directive = DU of uniqueness + | DReg of regulation + | DUp of updates + | DLimit of int + | DLength of int + +let pdirective = + choice [ + kw UNIQUENESS >>. + choice [ + kw INTERACTIONS |>> ((fun _ -> UInteractions) >> DU) + kw FULL |>> ((fun _ -> UModel) >> DU) + kw PATHS |>> ((fun _ -> UAll) >> DU) + kw UPATH >>. ppath .>>. pint |>> (UPath >> DU) + ] + kw REGULATION >>. + choice [ + kw DEFAULT |>> ((fun _ -> RDefault) >> DReg) + kw CARDINALITY |>> ((fun _ -> RCardinality) >> DReg) + kw LEGACY |>> ((fun _ -> RLegacy) >> DReg) + kw NOTHRESHOLDS |>> ((fun _ -> RNoThresholds) >> DReg) + ] + kw UPDATES >>. + choice [ + kw SYNC |>> ((fun _ -> USync) >> DUp) + kw ASYNC |>> ((fun _ -> UAsync) >> DUp) + ] + kw LIMIT >>. pint |>> DLimit + kw LENGTH >>. pint |>> DLength + ] + +//Line: +// |Species { $1 } +// |Interaction { $1 } +// |HYPOTHESIS LCBRA BExpr RCBRA { Hypothesis($3, None) } +// |HYPOTHESIS LCBRA BExpr RCBRA DESCRIPTION { Hypothesis($3, Some($5)) } +// |NAME ASSIGN LCBRA BExpr RCBRA { Assign($1,$4) } +// |BExpr { Assert($1,None) } +// |BExpr DESCRIPTION { Assert($1,Some($2)) } +// |DIRECTIVE Directive { Directive($2) } +type line = LSpecies of species + | LInteraction of interaction + | LHypothesis of bexpr * string option + | LAssign of vars * bexpr + | LAssert of bexpr * string option + | LDirective of directive +let pdescription = + choice [ + kw "\"" >>. manySatisfy (fun c -> c <> '\"') >>. kw "\"" |>> Some + preturn None + ] + +let pline = + let nested = true + choice [ + kw HYPOTHESIS >>. braces (pbExpr nested) .>>. pdescription |>> LHypothesis + pidentifier >>= fun sp1 -> choice [ + pinteraction sp1 |>> LInteraction + pspecies sp1 |>> LSpecies + ] + pname .>> kw ASSIGN .>>. braces (pbExpr nested) |>> LAssign + pbExpr (not nested) .>>. pdescription |>> LAssert + pdirective |>> LDirective + ] + +let parse = many1 (pline .>> kw EOL) + +//[] +let ``REIN parsing test 1`` () = + let prog = "A(0..15); B(0..15); C(0..15); D(0..15); + +A B positive ; +B A positive optional; +B C positive optional; +C B negative ; +C A positive optional; +A C negative optional; +B D positive optional; +D A negative; +D C positive optional; +" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 2`` () = + let prog = " +#ExperimentOne[0] |= $InitialValues; +#ExperimentOne[1] |= $SecondValues; +#ExperimentOne[18]|= $FinalValues; +#ExperimentOne[19]|= $FinalValues; + +$InitialValues := +{ + A = 1 and + B = 1 and + C = 1 and + D = 1 +}; + +$SecondValues := +{ + A = 1 and + B = 1 +}; + +$FinalValues := +{ + A = 1 and + B = 1 and + C = 0 and + D = 0 +}; +" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 3`` () = + let prog = " +#ExperimentOne[0] |= $InitialValues; +#ExperimentOne[1] |= $SecondValues; +#ExperimentOne[18]|= $FinalValues; +#ExperimentOne[19]|= $FinalValues; + +$InitialValues := +{ + A = 1 and + B = 1 and + C = 1 and + D = 1 +}; + +$SecondValues := +{ + A = 1 and + B = 1 +}; + +$FinalValues := +{ + A = 1 and + B = 1 and + C = 0 and + D = 0 +};" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 4`` () = + let prog = "A[+-](0..15); + B[-](0..15); C[+](0..15); D(0..15); + +A B positive ; +B A positive optional; +B C positive optional; +C B negative ; +C A positive optional; +A C negative optional; +B D positive optional; +D A negative; +D C positive optional; +" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 5`` () = + let prog = "A(0,13); B(4,5); C(10,15); D(7,12); + +A B positive; +B A positive optional; +B C positive optional; +C B negative; +C A positive optional; +A C negative optional; +B D positive optional; +D A negative; +D C positive optional; +" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 6`` () = + let prog = " +A(18); B(0..15); C(0..15); D(0..15); E(0..15); F(0..15); G(0..15); H(0..15); + +A H positive optional; +B A positive; +C A positive; +D A positive; +E A negative; +F A negative; +G A negative; +B B positive; +C C positive; +D D positive; +E E positive; +F F positive; +G G positive; +" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 7`` () = + let prog = " +// Different initial conditions that correspond to different cases to examine + +#ExperimentOne[0] |= $InitialEqualActivatorsAndRepressorsAOff; +#ExperimentOne[1] |= $FinalEqualActivatorsAndRepressorsAOff; + +$InitialEqualActivatorsAndRepressorsAOff := +{ + A = 0 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; + +$FinalEqualActivatorsAndRepressorsAOff := +{ + A = 0 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; + + +#ExperimentTwo[0] |= $InitialEqualActivatorsAndRepressorsAOn; +#ExperimentTwo[1] |= $FinalEqualActivatorsAndRepressorsAOn; + +$InitialEqualActivatorsAndRepressorsAOn := +{ + A = 1 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; + +$FinalEqualActivatorsAndRepressorsAOn := +{ + A = 1 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; + +#ExperimentThree[0] |= $InitialMoreActivatorsThanRepressorsAOff; +#ExperimentThree[1] |= $FinalMoreActivatorsThanRepressorsASwitchesOn; +#ExperimentThree[2] |= $FinalMoreActivatorsThanRepressorsASwitchesOn; + +$InitialMoreActivatorsThanRepressorsAOff := +{ + A = 0 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 0 and + G = 1 +}; + +$FinalMoreActivatorsThanRepressorsASwitchesOn := +{ + A = 1 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 0 and + G = 1 +}; + +#ExperimentFour[0] |= $InitialMoreActivatorsThanRepressorsAOn; +#ExperimentFour[1] |= $FinalMoreActivatorsThanRepressorsAStaysOn; + + +$InitialMoreActivatorsThanRepressorsAOn := +{ + A = 1 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 0 and + G = 1 +}; + +$FinalMoreActivatorsThanRepressorsAStaysOn := +{ + A = 1 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 0 and + G = 1 +}; + + +#ExperimentFive[0] |= $InitialMoreRepressorsThanActivatorsAOn; +#ExperimentFive[1] |= $FinalMoreRepressorsThanActivatorsASwitchesOff; +#ExperimentFive[2] |= $FinalMoreRepressorsThanActivatorsASwitchesOff; + +$InitialMoreRepressorsThanActivatorsAOn := +{ + A = 1 and + B = 0 and + C = 0 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; + +$FinalMoreRepressorsThanActivatorsASwitchesOff := +{ + A = 0 and + B = 0 and + C = 0 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; +" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 8`` () = + let prog = " +// Under conditions of equal activators and repressors then A should stay as it is so this specification should be UNSAT + +#ExperimentOne[0] |= $InitialEqualActivatorsAndRepressorsAOff; +#ExperimentOne[1] |= $FinalEqualActivatorsAndRepressorsAOn; + +$InitialEqualActivatorsAndRepressorsAOff := +{ + A = 0 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; + +$FinalEqualActivatorsAndRepressorsAOn := +{ + A = 1 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; + + +" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 9`` () = + let prog = "// This should be UNSAT + +#ExperimentThree[0] |= $InitialMoreActivatorsThanRepressorsAOff; +#ExperimentThree[1] |= $FinalMoreActivatorsThanRepressorsAStaysOff; +#ExperimentThree[2] |= $FinalMoreActivatorsThanRepressorsAStaysOff; + +$InitialMoreActivatorsThanRepressorsAOff := +{ + A = 0 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 0 and + G = 1 +}; + +$FinalMoreActivatorsThanRepressorsAStaysOff := +{ + A = 0 and + B = 1 and + C = 1 and + D = 1 and + E = 1 and + F = 0 and + G = 1 +}; + +" + let result = Parser.from_string parse prog + Assert.NotEmpty result + +//[] +let ``REIN parsing test 10`` () = + let prog = "// This should be UNSAT + +#ExperimentFive[0] |= $InitialMoreRepressorsThanActivatorsAOn; +#ExperimentFive[1] |= $FinalMoreRepressorsThanActivatorsAStaysOn; +#ExperimentFive[2] |= $FinalMoreRepressorsThanActivatorsAStaysOn; + +$InitialMoreRepressorsThanActivatorsAOn := +{ + A = 1 and + B = 0 and + C = 0 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; + +$FinalMoreRepressorsThanActivatorsAStaysOn := +{ + A = 1 and + B = 0 and + C = 0 and + D = 1 and + E = 1 and + F = 1 and + G = 1 +}; +" + let result = Parser.from_string parse prog + Assert.NotEmpty result \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/RenderingTests.fs b/ClassicDSD/ClassicDSDTests/RenderingTests.fs new file mode 100644 index 0000000..8d086e7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/RenderingTests.fs @@ -0,0 +1,123 @@ +module Microsoft.Research.DNA.RenderingTests + +open FsUnit +open Xunit + +open Microsoft.Research.DNA +open Microsoft.Research.DNA.Dsd +open Microsoft.Research.DNA.BranchesRenderer + +[] +[] +let classic_strand () = + let code = "" + let bundle = Dsd.parse code + match bundle with + | ClassicDSD bundle -> + let species = match bundle.initials with [initial] -> initial.species | _ -> failwith "bad parse result" + let strand = match species with | Species.STRAND strand -> strand | _ -> failwith "bad parse result" + let dstrand = BranchesRenderer.from_dsd_strand Sequence.empty strand + Assert.Equal(DStrandKind.TopStrand, dstrand.kind) + match dstrand.domains with + | [dom1;dom2] -> + Assert.Equal("a", dom1.name) + Assert.Equal(true, dom1.toehold) + Assert.Equal(false, dom1.complemented) + Assert.Equal(None, dom1.tether) + Assert.Equal(None, dom1.pseudoknot) + Assert.Equal("b", dom2.name) + Assert.Equal(false, dom2.toehold) + Assert.Equal(false, dom2.complemented) + Assert.Equal(None, dom2.tether) + Assert.Equal(None, dom2.pseudoknot) + () + | _ -> sprintf "Unexpected number of domains in output: %d" dstrand.domains.Length |> failwith + () + | _ -> failwith "bad parse result" + () + +[] +[] +let rules_strand () = + let code = "directive rules {} " + let bundle = Dsd.parse code + match bundle with + | Rules bundle -> + let species = match bundle.initials with [initial] -> initial.species | _ -> failwith "bad parse result" + let dspecies = BranchesRenderer.from_logic_dsd species + let dstrand = match dspecies with | Strand dstrand -> dstrand | _ -> failwith "bad parse result" + Assert.Equal(DStrandKind.TopStrand, dstrand.kind) + match dstrand.domains with + | [dom1;dom2] -> + Assert.Equal("a", dom1.name) + Assert.Equal(true, dom1.toehold) + Assert.Equal(false, dom1.complemented) + Assert.Equal(None, dom1.tether) + Assert.Equal(None, dom1.pseudoknot) + Assert.Equal("b", dom2.name) + Assert.Equal(false, dom2.toehold) + Assert.Equal(false, dom2.complemented) + Assert.Equal(None, dom2.tether) + Assert.Equal(None, dom2.pseudoknot) + () + | _ -> sprintf "Unexpected number of domains in output: %d" dstrand.domains.Length |> failwith + () + | _ -> failwith "bad parse result" + () + +[] +[] +let pseudoknot_hairpin () = + let code = "directive rules{} []" + let bundle = Dsd.parse code + match bundle with + | Rules bundle -> + let species = match bundle.initials with [initial] -> initial.species | _ -> failwith "bad parse result" + let dspecies = BranchesRenderer.from_logic_dsd species + let dbranch = match dspecies with | Branch dbranch -> dbranch | _ -> failwith "bad parse result" + if dbranch.children.Length > 0 then failwith "Unexpected children in dbranch." + let dgate = dbranch.gate + if dgate.left_connection.IsSome then failwith "Unexpected left connection in dgate." + let dsegment = match dgate.segments with [dsegment] -> dsegment | _ -> sprintf "Unexpected %d segments in dgate." dgate.segments.Length |> failwith + Assert.Equal(None, dsegment.connection) + Assert.Equal(None, dsegment.bottom_left) + Assert.Equal(None, dsegment.top_left) + Assert.Equal(None, dsegment.hairpin_right) + Assert.Equal(DStrandKind.DoubleStrand, dsegment.double_strand.kind) + let ds_dom = match dsegment.double_strand.domains with [ds_domain] -> ds_domain | _ -> sprintf "Unexpected %d domains in double strand." dsegment.double_strand.domains.Length |> failwith + Assert.Equal("x2", ds_dom.name) + Assert.Equal(false, ds_dom.toehold) + Assert.Equal(true, ds_dom.complemented) + Assert.Equal(None, ds_dom.pseudoknot) + let lh = match dsegment.hairpin_left with Some lh -> lh | _ -> failwith "Unexpected missing left hairpin." + Assert.Equal(DStrandKind.LeftHairpinStrand, lh.kind) + let lh_dom1,lh_dom2 = match lh.domains with [lh_dom1;lh_dom2] -> (lh_dom1,lh_dom2) | _ -> sprintf "Unexpected %d domains in left hairpin." lh.domains.Length |> failwith + Assert.Equal("x3", lh_dom1.name) + Assert.Equal(true, lh_dom1.toehold) + Assert.Equal(true, lh_dom1.complemented) + Assert.Equal(None, lh_dom1.pseudoknot) + Assert.Equal("x4", lh_dom2.name) + Assert.Equal(false, lh_dom2.toehold) + Assert.Equal(true, lh_dom2.complemented) + let pk = match lh_dom2.pseudoknot with Some pk -> pk | _ -> failwith "Unexpected missing pseudoknot." + let tr = match dsegment.top_right with Some tr -> tr | _ -> failwith "Unexpected missing top right overhang." + Assert.Equal(DStrandKind.TopStrand, tr.kind) + let tr_dom = match tr.domains with [tr_dom] -> tr_dom | _ -> sprintf "Unexpected %d domains in top right overhang." tr.domains.Length |> failwith + Assert.Equal("x1", tr_dom.name) + Assert.Equal(true, tr_dom.toehold) + Assert.Equal(true, tr_dom.complemented) + Assert.Equal(None, tr_dom.pseudoknot) + let br = match dsegment.bottom_right with Some br -> br | _ -> failwith "Unexpected missing bottom right overhang." + Assert.Equal(DStrandKind.BottomStrand, br.kind) + let (br_dom1,br_dom2) = match br.domains with [br_dom1;br_dom2] -> (br_dom1,br_dom2) | _ -> sprintf "Unexpected %d domains in bottom right overhang." br.domains.Length |> failwith + Assert.Equal("x5", br_dom1.name) + Assert.Equal(false, br_dom1.toehold) + Assert.Equal(false, br_dom1.complemented) + Assert.Equal(None, br_dom1.pseudoknot) + Assert.Equal("x4", br_dom2.name) + Assert.Equal(false, br_dom2.toehold) + Assert.Equal(false, br_dom2.complemented) + Assert.Equal(Some pk, br_dom2.pseudoknot) + () + | _ -> failwith "bad parse result" + () \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/Rep_rbxu1.txt b/ClassicDSD/ClassicDSDTests/Rep_rbxu1.txt new file mode 100644 index 0000000..6fb3bbe --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/Rep_rbxu1.txt @@ -0,0 +1,70 @@ +Time 0.2x 0.4x 0.6x 0.8x +3600 0.034310549 0.022243356 0.01638559 0.014202283 +3660.012 0.018747397 0.012156647 0.007624618 0.004589407 +3719.988 0.007201613 0.002479475 -0.00049016 -0.003253756 +3780 0.001792211 -0.004276414 -0.007253032 -0.007178806 +3840.012 -0.005647085 -0.009809631 -0.012015044 -0.01164067 +3899.988 -0.011463466 -0.015702488 -0.013863 -0.01348694 +4156.812 0.179006188 0.342609144 0.48883216 0.55367804 +4200.3 0.213242368 0.40639588 0.6008746 0.70838712 +4243.608 0.241006632 0.48082224 0.71915416 0.84527416 +4286.988 0.27185954 0.54610388 0.8291172 0.98042528 +4330.296 0.305252056 0.61232196 0.92694116 1.1093716 +4373.604 0.34025242 0.67237808 1.02140072 1.23012408 +4416.804 0.365735272 0.72744812 1.10885112 1.3393436 +4460.184 0.393809936 0.77941824 1.188172 1.44169048 +4503.492 0.41843444 0.82742864 1.26188084 1.54202216 +4546.8 0.441374 0.87545188 1.33254156 1.63044984 +4590.216 0.46003552 0.9156394 1.39344184 1.71311684 +4633.488 0.48112116 0.95299944 1.45820684 1.79324988 +4680 0.50093488 0.9950886 1.519838 1.86741848 +4740.012 0.52322776 1.04055568 1.59312488 1.96157564 +4799.988 0.54719632 1.08262884 1.6568654 2.04558 +4860 0.56641652 1.12448548 1.7206706 2.121692 +4920.012 0.58374488 1.15960552 1.77573572 2.19511784 +4979.988 0.59900796 1.19347092 1.82777728 2.26798668 +5040 0.61563516 1.22271132 1.87269528 2.32245884 +5100.012 0.62963624 1.25048772 1.9229504 2.38363972 +5159.988 0.64261492 1.27915052 1.95928712 2.43541688 +5220 0.64907648 1.29985172 1.9952514 2.48713632 +5280.012 0.65900068 1.32212236 2.03083064 2.5270094 +5339.988 0.67068008 1.3446476 2.06507156 2.57497688 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2.4719766 3.15549876 diff --git a/ClassicDSD/ClassicDSDTests/SimulatorRegressions.fs b/ClassicDSD/ClassicDSDTests/SimulatorRegressions.fs new file mode 100644 index 0000000..ac8a230 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/SimulatorRegressions.fs @@ -0,0 +1,447 @@ +module Microsoft.Research.DNA.SimulatorRegressions + +//open System.IO +//open FsUnit +//open Xunit + +//open Microsoft.Research.CRNEngine + +(** + let debug s = //() + System.Diagnostics.Debug.WriteLine s + System.Console.WriteLine s +**) + +/// Custom operator for combining paths (from: http://www.fssnip.net/1g/title/Working-with-paths) +//let (+/) path1 path2 = Path.Combine(path1, path2) +// +//let TEST_FOLDER = "testData" +// +//let CLASSIC_DSD = "classicDsd" +//let CRN_DIR = "crns" +//let VISUAL_DSD = "visualDsd" +//let CRN_COMPARISON_DIR = "crnComparison" +//let SIMULATION_DIR = "simulations" +//let OSLO_DIR = "oslo" +//let DETERMINISTIC_SIM = "deterministic" +//let CME = "CME" +//let ALL_SIMULATIONS = "long" +//let QUICK_SIMULATIONS = "quick" +// +// +//let parseLegacyCrn crnText = +// let pname = Parser.(|>>) +// (Parser.(.>>) Parser.name Parser.spaces) +// (Species.create) +// Parser.from_string (LegacyParser.parse_legacy_SL pname) crnText +// +// +//(**************** Simulation results comparison ********************) +//let compare (expected : Result.t) (actual : Result.t) (eventTimes : float list) = +// (***** filter out rows with identical time stamps (keep the last one) *******) +// (* CS: when a CRN events is simulated, the simulators may print multiple datapoints at the same time stamp. +// For example, simulating "init X 1 @ 10" produce two datapoints at time 10 with Oslo, +// one with concentration 0 and one with concentration 1 (in this order). +// We only keep the last datapoint when timestamps are duplicated. +// We also remove datapoints near events, when in the range of [evTime - 1e-7, evTime) +// (because Oslo currently produces datapoints at 1e-8 time units before an event, which causes +// interpolation errors during testing). *) +// let evRanges = List.map (fun eTime -> (eTime - 1e-7, eTime)) eventTimes +// let notInRange f (low, up) = f < low || up <= f +// +// let formatTimestampsRev (rows : Row.t list) = +// match rows with +// | [] -> [] +// | r::rs -> let rec filterRowLoop (next : Row.t) (rows : Row.t list) acc = +// match rows with +// | [] -> next::acc +// | r::rs -> if next.time <> r.time && List.forall (notInRange r.time) evRanges +// then filterRowLoop r rs (next::acc) // order is reversed here +// else filterRowLoop next rs acc +// in filterRowLoop r rs [] +// +// let colName (c : Table.column) = c.name +// let mkTable (r:Result.t) = r.table +// |> Table.to_rows_reverse +// |> formatTimestampsRev +// |> Table.from_rows (List.map colName r.table.columns) +// (** CME hack: standard deviation columns are now called "StDev" in CRNEngine**) +// let renameTableCols (f:string->string) (t:Table.t):Table.t = +// let renameCol (c:Table.column) = { c with name = f c.name } +// { t with columns = List.map renameCol t.columns } +// let cmeHack (colName:string) = if colName.EndsWith "Std" +// then colName.Replace("Std", "StDev") +// else colName +// (** /CME hack**) +// +// let aTab = mkTable actual +// let eTab = mkTable expected |> renameTableCols cmeHack +// +// (***** data setup: interpolate eTab to match aTab's timestamps **************) +// let aRows = Table.to_rows aTab +// let eTimes = eTab.times +// let eColumns = aTab.columns |> List.map (fun (c: Table.column) -> c.name) +// let iRowsRev = Row.interpolate_reverse Row.interpolate_float aRows eTimes +// let iTabDups = Table.from_rows_reverse eColumns iRowsRev +// let iResults = Result.create Instance.empty iTabDups +// let iTab = mkTable iResults +// +// // for debugging purposes: +// let printResult r = Table.to_string "\t" (fun x -> x.ToString()) r +// let eTabString = printResult expected.table +// let iTabString = printResult iTab +// let aTabString = printResult actual.table +// +// (***** cell test setup: check that two cells match up to relative error *****) +// // find the the actual data's absolute scale +// let findMax (ns:float list)= +// match ns with +// | [] -> failwith "Max: unexpected empty list\n" +// | initMax :: rest -> List.fold (fun max x -> if x > max then x else max) initMax rest +// let scale = aTab.columns +// |> List.map (fun (c: Table.column) -> c.values |> findMax) +// |> findMax +// +// // relative error function, w.r.t the absolute scale +// let margin = 0.01 +// let fullScaleError = if scale <> 0.0 +// then fun actual expected -> abs ((expected - actual) / scale)// * (expected / scale) +// else fun actual expected -> abs (expected - actual) +// let isError actual expected = +// let relErr = fullScaleError actual expected +// relErr > margin +// +// // match up values up to the relative error +// let errorMsg columnName rowIndex actual expected = +// let i = rowIndex.ToString() +// let a = actual.ToString() +// let e = expected.ToString() +// let s = scale.ToString() +// let err = (fullScaleError actual expected).ToString() +// let mar = margin.ToString() +// "Simulation error detected in column \"" + columnName + "\" at row " + i + ":\n" +// + "Interpolated data: " + a + "\n" +// + "Expected data: " + e + "\n" +// + "Scale: " + s + "\n" +// + "Full Scale Error: " + err + " > " + mar + "\n" +// + "Expected simulation:\n" + eTabString + "\n" +// + "Interpolated simulation:\n" + iTabString + "\n" +// + "Actual simulation:\n" + aTabString + "\n" +// +// (***** test loop setup: run isError for each cell in iTab and eTab **************) +// let compareRow colName testFailure (idx, (iVal, eVal)) = +// match testFailure with +// | None -> if isError iVal eVal +// then Some (errorMsg colName idx iVal eVal) +// else None +// | _ -> testFailure +// +// let findColumn (name:string) (tab: Table.t) = List.tryFind (fun (c:Table.column) -> c.name = name) tab.columns +// +// let testICol (iCol : Table.column) = +// match findColumn iCol.name eTab with +// | None -> Some ("Column \"" + iCol.name + "\" not found") +// | Some eCol -> List.zip iCol.values eCol.values // pair rows up +// |> List.mapi (fun i x -> (i, x)) // add row index +// // compare rows; exit the test on the first occurrence of failure +// |> List.fold (compareRow iCol.name) None +// +// let testLoop errorMsg (c : Table.column) = +// match errorMsg with +// | None -> testICol c +// | _ -> errorMsg +// +// (***** check that columns length and names match, then test the data ****) +// if aTab.columns.Length <> eTab.columns.Length +// then Some "Column lengths differ.\n" +// else +// (***** check that column names match up to reordering ****) +// let getColumnName ( c : Table.column ) = c.name +// let aColNames = (List.map getColumnName aTab.columns |> Set.ofList) +// let eColNames = (List.map getColumnName eTab.columns |> Set.ofList) +// if eColNames <> aColNames +// then Some "Column names differ.\n" +// (***** check that simulation data sets match ****) +// else List.fold testLoop None iTab.columns +// +//let run_single expected actualCrn = +// //debug ("Running simulator regression test: " + test_name) +// let actuals = Crn.simulate actualCrn +// let actual = if actuals.Length <> 1 +// then failwith "Simulation testing for sweeps is not supported yet." +// else actuals.Head +// let env = Parameter.to_env actualCrn.settings.parameters +// let eventTimes = actualCrn.initials +// |> List.choose (fun (i:Crn.initial) -> match Expression.eval (Environment.find env) i.time with +// | 0.0 -> None +// | i -> Some i) +// +// // hack to circumvent the fact that BME parses 1 + 2 + 3 +// // as ((1+2)+3) whereas CRNEngine parses it as (1+(2+3)) +// let stripParenthesesFromHeaders (actual:Result.t) = +// { actual with table = +// {actual.table with columns = List.map (fun (c:Table.column) -> {c with name = String.filter (fun (ch : char) -> not (List.contains ch ['('; ')'])) c.name}) actual.table.columns }} +// let actual' = stripParenthesesFromHeaders actual +// let expected' = stripParenthesesFromHeaders expected +// +// compare expected' actual' eventTimes +// +//let run testName (sim, crn : Crn.t) simKind isStiff : string option = +// let simData = Parser.from_string Result.tsv_parser sim +// let simCrn = {crn with settings = { crn.settings with simulator = simKind +// deterministic = {crn.settings.deterministic with stiff = isStiff; +// reltolerance = 1e-5}}} +// match run_single simData simCrn with +// | None -> None +// | Some error -> +// let stiff = if isStiff then " stiff" else "" +// let kind = Crn_settings.simulator_to_string simKind +// let errorMsg = (sprintf "Test \"%s\" - %s:\n%s" testName (kind + stiff) error) +// Some errorMsg +// +//let trimEmpty = String.filter (fun c -> List.exists ((=) c) [' ';'\r';'\n';'\t']) +// +//let testSingleCrn testsDir errorMsgs crnFile : string list= +// let simDirName = Path.GetFileNameWithoutExtension crnFile + "_simulation" +// let simDir = testsDir +/ simDirName +// if not (Directory.Exists simDir) +// then +// // debug (sprintf "Skipping test \"%s\", no \"_simulation\" data folder found." crnFile) +// errorMsgs +// else +// let crn = parseLegacyCrn (File.ReadAllText crnFile) +// let simFiles = Directory.EnumerateFiles (simDir, "*.tsv") |> Seq.toList +// let runSimulationTest simErrors simFile = +// let testName = Path.GetFileNameWithoutExtension crnFile +// let test = (File.ReadAllText simFile, crn) +// let stiff = true +// let oslo = Crn_settings.simulator.Oslo +// let sundials = Crn_settings.simulator.Sundials +// let lna = Crn_settings.simulator.LNA +// +// let simKind = Path.GetFileNameWithoutExtension simFile +// // debug (sprintf "Testing %s on %s" testName simKind) +// let maybeError = +// match simKind with +// | "deterministic" -> run testName test oslo (not stiff) +// | "sundials" -> run testName test sundials (not stiff) +// | "lna" -> run testName test lna (not stiff) +// | "deterministicstiff" -> run testName test oslo stiff +// | "sundialsstiff" -> run testName test sundials stiff +// | "lnastiff" -> run testName test lna stiff +// | _ -> Some (sprintf "Skipping unrecognized simulation data \"%s\" in \"%s\"" simKind simFile) +// match maybeError with +// | Some newError -> simErrors @ [newError] +// | None -> simErrors +// let simErrors = List.fold runSimulationTest [] simFiles +// errorMsgs @ simErrors +// +//[] +//(** run Oslo, Sundials and LNA (stiff and non-stiff) on CRNs generated from Visual DSD programs. +// Simulation data is compared to data pre-computed by CliBME and stored in the ALL_SIMULATIONS folder. +// The total running time is 98 minutes (CS: on my machine, as of 10/03/2017). **) +//[] +//let ``Oslo, Sundials and LNA regression tests - all`` () = +// let projectDir = Directory.GetParent(Directory.GetCurrentDirectory()).Parent.FullName.Trim [|' ';'\r';'\n';'\t'|] +// let testsDir = projectDir +/ TEST_FOLDER +// +/ SIMULATION_DIR +// +/ DETERMINISTIC_SIM +// +/ ALL_SIMULATIONS +// let crns = Directory.EnumerateFiles (testsDir, "*.crn") |> Seq.toList +// +// match List.fold (testSingleCrn testsDir) [] crns with +// | [] -> () +// | errs -> failwith (String.concat "\n" errs) +// +// +// +//[] +//(** run the regression tests on a restricted subset of CRNs, so that it can be run within one minute **) +//let ``Oslo, Sundials and LNA regression tests - subset`` () = +// let projectDir = Directory.GetParent(Directory.GetCurrentDirectory()).Parent.FullName.Trim [|' ';'\r';'\n';'\t'|] +// let testsPath = projectDir +/ TEST_FOLDER +// +/ SIMULATION_DIR +// +/ DETERMINISTIC_SIM +// +/ QUICK_SIMULATIONS +// let crns = Directory.EnumerateFiles (testsPath, "*.crn") |> Seq.toList +// +// match List.fold (testSingleCrn testsPath) [] crns with +// | [] -> () +// | errs -> failwith (String.concat "\n" errs) +// +//(** copied and pasted from Expression.fs, because CliBME prints floats with a trailing .0 whereas CRNEngine does not **) +//let legacyPrint f = let s = f.ToString() +// if (s.Contains ".") || (s.Contains "e") || (s.Contains "E") then s else s + ".0" +// +//let rec ep kp e : string = // expression printer +// match e with +// | Expression.t.Key x -> kp x +// | Expression.t.Float f -> legacyPrint f +// | Expression.t.Divide {div1=x; div2=y} -> ep kp x + " / " + ep kp y +// | Expression.t.Power {base_=x;exponent=n} -> ep kp x + " ^ " + ep kp n +// | Expression.t.Times l -> if l.Length = 1 +// then ep kp l.Head +// else l |> List.map (ep kp) +// |> List.reduce (fun x y -> x + " * " + y) +// | Expression.t.Plus l -> if l.Length = 1 +// then ep kp l.Head +// else l |> List.map (ep kp) +// |> List.reduce (fun x y -> x + " + " + y) +// | Expression.t.Minus {sub1=x;sub2=y} -> ep kp x + " - " + ep kp y +// | Expression.t.Absolute x -> "|" + ep kp x + "|" +// | Expression.t.Log x -> "log(" + ep kp x + ")" +// | Expression.t.Modulo {div = x; modulo = y} -> ep kp x + " % " + ep kp y +//(** /copied and pasted **) +// +//(** copied and pasted from assignment.fs, because CliBME prints floats with a trailing .0 whereas CRNEngine does not **) +//let tuple_to_string (l:string list) = +// match l with +// | [] -> "" +// | [single] -> single +// | tuple -> "(" + (String.concat "," tuple) + ")" +// +//let to_string (a:Assignment.t) = +// let varsTuple = tuple_to_string a.variables +// let valuesTuples = a.values +// |> List.map (List.map (ep id) >> tuple_to_string) +// |> String.concat "; " +// sprintf "%s = [%s]" varsTuple valuesTuples +// +//let to_string_bindings (a:Assignment.t) = +// let varsTuple = tuple_to_string a.variables +// let valTuples = a.values +// |> List.map (List.map (ep id) >> tuple_to_string) +// List.map (fun tup -> varsTuple + " = " + tup) valTuples +//(** /copied and pasted**) +// +// +// +//[] +//let ``CME regression tests`` () = +// // get test file names +// let projectDir = Directory.GetParent(Directory.GetCurrentDirectory()).Parent.FullName.Trim [|' ';'\r';'\n';'\t'|] +// let testsPath = projectDir +/ TEST_FOLDER +// +/ SIMULATION_DIR +// +/ CME +// let crns = Directory.EnumerateFiles (testsPath, "*.crn") |> Seq.toList +// +// // CME specific constants +// let CME_PREFIX = "cme_" +// let STIFF_PREFIX = "cmestiff_" +// let MEAN_STDEV_TABLE_PREFIX = "meanstd_" +// +// // test a cnrFile +// let testSingleCrn crnFile : string list option = +// let simDirName = Path.GetFileNameWithoutExtension crnFile + "_simulation" +// let simDir = testsPath +/ simDirName +// if not (Directory.Exists simDir) +// then +// // debug (sprintf "Skipping test \"%s\", no \"_simulation\" data folder found." crnFile) +// None +// else +// let crn = parseLegacyCrn (File.ReadAllText crnFile) +// let stiffCrn = { crn with settings = +// {crn.settings with deterministic = +// {crn.settings.deterministic with stiff = true}}} +// let sweeps = crn.settings.sweeps +// if sweeps.Length > 1 +// then // debug ("Skipping test \"" + crnFile + "\", multiple sweeps not supported"); +// None +// else +// let sweep = sweeps.Head // assum: only one sweep is run +// let sweepName = sweep.name +// +// // plot printer +// let pp = ep Species.to_string +// +// +// // constructs the test file name from the arguments (instance contains the assignments that have been used to run the simulation) +// let mkTestFileName stiffPrefix kind (actualInstance:Instance.t) = +// let assignments = Map.toList actualInstance.environment +// let printAsg (x, y) = x + " = " + legacyPrint y +// let asgs = String.concat ", " (List.map printAsg assignments) +// simDir +/ sweepName +/ stiffPrefix + kind + asgs + ".tsv" +// +// // loads the expected data +// let loadCmeTable testFile (actualInstance:Instance.t) = +// let contents = File.ReadAllText(testFile) +// let table = Parser.from_string Result.tsv_parser contents +// { table with instance = {table.instance with environment = actualInstance.environment +// sweep = sweep.name }} +// +// let plotNames = List.map pp crn.settings.simulation.plots +// +// // run a simulation sweep, and load its corresponding +// let simulateSweep isStiff (i:Instance.t) = +// // run CME on a sweep +// let plot = plotNames.Head +// let testCrn = if isStiff +// then stiffCrn +// else crn +// let aMarginalsRaw, aData = testCrn |> Crn.substitute i.environment +// |> Crn.simulate_cme_single +// |> fun (x,y) -> let p = Cme.probability_map x.probabilities plot +// (p, Result.create i (Table.point_to_float y)) +// // store the marginal distributions in a Result.t +// let cmePrefix = if isStiff +// then STIFF_PREFIX +// else CME_PREFIX +// let aColNames = if aMarginalsRaw.Length = 0 +// then // error +// let msg = "Simulator returned empty marginal distribution for \"" +// + plot + "\" in test \"" + crnFile + "\"" +// failwith msg +// else +// List.map (fun n -> plot + " = " + n.ToString()) [0..(aMarginalsRaw.Head.Length-1)] +// let aMarginalsRows = List.map2 Row.from_array aData.table.times aMarginalsRaw +// let aMarginalsTable = Table.from_rows aColNames aMarginalsRows +// let aMarginals = Result.create i aMarginalsTable +// +// // load expected data +// // marginal probabilities +// let eMarginalsFile = mkTestFileName cmePrefix (plot + "_") i +// let eMarginals = loadCmeTable eMarginalsFile i +// +// // mean and std. dev. +// let eDataFile = mkTestFileName cmePrefix MEAN_STDEV_TABLE_PREFIX i +// let eData = loadCmeTable eDataFile i +// +// [(eDataFile, eData, aData); (eMarginalsFile, eMarginals, aMarginals)] +// +// // run CME and CME Stiff for all sweeps in the crn +// let runSim isStiff = +// let testCrn = if isStiff +// then stiffCrn +// else crn +// testCrn |> Crn.get_instances +// |> List.collect (simulateSweep isStiff) +// +// // compare expected and simulation results +// let runTest isStiff = +// runSim isStiff +// |> List.choose +// (fun (testFile, expected, actual) -> +// let cmeHack (s:string) = s.Replace("(Std)", "(StDev)") +// let hackedColNames = expected.table.columns +// |> List.map (fun c -> cmeHack c.name) +// let lessThanFinal f = f <= crn.settings.simulation.final +// let eTableInRange = expected.table |> Table.to_rows_reverse +// |> List.filter (fun (r) -> lessThanFinal r.time ) +// |> Table.from_rows_reverse hackedColNames +// let eDataInRange = { expected with table = eTableInRange } +// match compare eDataInRange actual [] with +// | None -> None +// | Some msg -> Some ("CME simulation test \""+ testFile + "\":\n" + msg) ) +// +// // report error if any +// let stiff = true +// let cmeResults = runTest (not stiff) +// let cmeStiffResults = runTest stiff +// let results = cmeResults @ cmeStiffResults +// if List.isEmpty results +// then None +// else Some results +// +// let testResults = List.choose testSingleCrn crns +// let errorMessages = String.concat "\n" (List.concat testResults) +// Assert.True(testResults.IsEmpty, errorMessages) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/TestUtils.fs b/ClassicDSD/ClassicDSDTests/TestUtils.fs new file mode 100644 index 0000000..ccb3297 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/TestUtils.fs @@ -0,0 +1,623 @@ +module Microsoft.Research.DNA.TestUtils + +// open FsUnit.Xunit +open FsUnit +open Xunit + +open System.IO +//open System.Xml +//open System.Xml.XPath + +open Microsoft.Research.DNA +open Microsoft.Research.CRNEngine +open Microsoft.Research.CRNEngine.Rng + +(* This file has been copied over from DsdTests.TestUtils.fs in the DNA solution. *) +//module BMEUI = Microsoft.Research.ModellingEngine.Ui +module BMEValue = Microsoft.Research.CRNEngine.Expression//s.Value +//module Term = Microsoft.Research.ModellingEngine.Term +module Lib = Microsoft.Research.CRNEngine.Lib +module Hashtable = Microsoft.Research.CRNEngine.Hashtable +module Mset = Microsoft.Research.CRNEngine.Mset + +type value = Microsoft.Research.CRNEngine.Expression.t + +(**new part**) +/// Custom operator for combining paths (from: http://www.fssnip.net/1g/title/Working-with-paths) +let (+/) path1 path2 = Path.Combine(path1, path2) + +let TEST_FOLDER = "testData" + +let CLASSIC_DSD = "classicDsd" +let CRN_DIR = "crns" +let VISUAL_DSD = "visualDsd" + +(**/new part**) + +//------------- +// Debug output +let debug s = //() + System.Diagnostics.Debug.WriteLine s + System.Console.WriteLine s + +let debugm s = //() + let col = System.Console.ForegroundColor + System.Console.ForegroundColor <- System.ConsoleColor.DarkBlue + System.Diagnostics.Debug.WriteLine s + System.Console.WriteLine s + System.Console.ForegroundColor <- col + +//------------- +// IO + +// Reads a file included as EmbeddedResource. If it has a path, only the file name should be given to this method. +let read_resource resourceName : string = + use stream = System.Reflection.Assembly.GetExecutingAssembly().GetManifestResourceStream(resourceName) + use reader = new System.IO.StreamReader(stream) + reader.ReadToEnd () + +let get_file resourceName = System.Reflection.Assembly.GetExecutingAssembly().GetManifestResourceStream(resourceName+".txt") + +let inline is_null x = x = Unchecked.defaultof<_> + +//let get_example_node (node: XmlNode) = +// let path_node = node.Attributes.GetNamedItem("Path") +// if is_null path_node then node.InnerText +// else +// let path = System.IO.Path.GetFileName path_node.InnerText +// read_resource path + +// curry and uncurry a function, useful function combinator e.g. for List.zip +let curry f a b = f (a,b) +let uncurry f (a,b) = f a b + +// checks whether all values in a Bool list are true (copied from Haskell's and) +let allTrue = List.fold (&&) true + +// removes elements in xs from an input string (filter's implicit parameter ) +let trim xs = String.filter (fun x -> List.exists ((=) x) xs) + +let programText exampleName = + (*let examplesXML = read_resource "Examples_inlined.xml" + + let doc = XmlDocument() + doc.LoadXml examplesXML + + let exampleNode = doc.SelectSingleNode ("//Example[@Name='" + exampleName + "']") + get_example_node exampleNode*) + + let projectDir = read_resource "projectDir.value" |> trim [' ';'\r';'\n';'\t'] + let examplesPath = Path.ChangeExtension(Path.Combine (projectDir, "../WebDNA/Examples/", exampleName), ".dna") + + if not (File.Exists examplesPath) then failwithf "Example '%s' not found at %s" exampleName examplesPath + + File.ReadAllText examplesPath + +let forall_examples f = + let projectDir = read_resource "projectDir.value" |> trim [' ';'\r';'\n';'\t'] + let examplesDir = Path.Combine (projectDir, "../WebDNA/Examples/") + let dsd_programs = Directory.EnumerateFiles (examplesDir, "*.dna") + debug (sprintf "Found %d DSD programs" (Seq.length dsd_programs)) + + dsd_programs (* + |> Seq.skip 51 + |> Seq.take 1*) + |> Seq.iter (fun file_name -> let content = File.ReadAllText file_name + f file_name content) + +let all_examples = + let l = ref [] + let append name text = l := (name, text)::!l + forall_examples append; + List.rev !l + +let some_examples k = + let n = List.length all_examples + let rec get missing left acc = function + | [] -> acc + | x::xs -> + if missing = 0 then acc + else if left < missing then x::xs @ acc + else if (new Random()).Next(left) < missing + then get (missing-1) (left-1) (x::acc) xs + else get missing (left-1) acc xs + get k n [] all_examples + + +let check b m = + if not b + then failwith (m ()) + else () + +let check_permutation eq l1 l2 m n1 n2 = + let check_in_l2 e1 = + let inSpec = List.exists (eq e1) l2 + check inSpec (m e1 n2) + let check_in_l1 e2 = + let inImpl = List.exists (eq e2) l1 + check inImpl (m e2 n1) + + l1 |> List.iter check_in_l2 + l2 |> List.iter check_in_l1 + +//------------- +// Compare values +let delta = 0.001 +let float_eq (f1 : float<'a>) (f2 : float<'a>) = + let test a b = abs((a / b) - 1.0) <= delta + if abs f1 > abs f2 then test f2 f1 // do not divide by 0.0 + elif abs f2 > abs f1 then test f1 f2 // do not divide by 0.0 + else f1 = f2 // 0.0 = 0.0 handled in this case + +// structural equality +let rec value_eq e1 e2 = + let e1', e2' = Expression.simplify e1, Expression.simplify e2 + match e1', e2' with + | BMEValue.Key n, BMEValue.Key m -> n = m + | BMEValue.Float n, BMEValue.Float m -> float_eq n m + | BMEValue.Plus ns, BMEValue.Plus ms + | BMEValue.Times ns, BMEValue.Times ms + -> try + check_permutation value_eq ns ms (fun e1 e2 _ -> "Sum or multiplication mismatch") "implementation" "specification" + |> ignore + true + with _ -> false + + | BMEValue.Minus { sub1 = n1; sub2 = n2 }, + BMEValue.Minus { sub1 = m1; sub2 = m2 } + | BMEValue.Divide { div1 = n1; div2 = n2 }, + BMEValue.Divide { div1 = m1; div2 = m2 } + | BMEValue.Power { base_ = n1; exponent = n2}, + BMEValue.Power { base_ = m1; exponent = m2} + -> value_eq n1 m1 && value_eq n2 m2 + | BMEValue.Absolute n, BMEValue.Absolute m + -> value_eq n m + | _, _ -> false + +//let value_equal v1 v2 = value_eq (BMEValue.normalize v1) (BMEValue.normalize v2) + +//------------- +// Compare populations +(*let pop_info_equal opts (pi1: Dsd.pop_info) (pi2: Dsd.pop_info) = + (pi1.constant = pi2.constant) + && (pi1.initial = pi2.initial) + && (pi1.input = pi2.input) + && (value_equal pi1.population pi1.population) + && (Species.equal opts pi1.calculus_species pi2.calculus_species) +*) +let eqSpecies (s1 : Microsoft.Research.CRNEngine.Species) (s2 : Microsoft.Research.CRNEngine.Species) = s1.name = s2.name + +// Ignores initial and input // TODO: why ignore the initial? +let eqInitials (in1: Initial) (in2: Microsoft.Research.CRNEngine.Initial) = + in1.constant = in2.constant + && value_eq in1.value in2.value + && eqSpecies (in1.species) (in2.species) + && match in1.time, in2.time with + | Some t1, Some t2 -> value_eq t1 t2 + | None, None -> true + | _, _ -> false + +let check_pops_equal_relaxed (c1 : Crn) (c2 : Crn) = + let errorMsg (i:Initial>) crnName (_ : Unit) = + i.species.name + " not found in " + crnName + check_permutation eqInitials c1.initials c2.initials errorMsg c1.name c2.name + +//------------- +// Compare reactions +let rate_equal eq r1 r2 = + match r1, r2 with + | (Rate.MassAction v1), (Rate.MassAction v2) -> eq v1 v2 + | _ -> false + +let opt_equal eq o1 o2 = + match o1, o2 with + | None, None -> true + | Some v1, Some v2 -> eq v1 v2 + | _ -> false + +let reaction_equal seq veq (r1: Reaction<'species,'value,'eq>) (r2: Reaction<'species,'value,'eq>) = + let sameProducts = Mset.is_perm seq r1.products r2.products + let sameReactants = Mset.is_perm seq r1.reactants r2.reactants + let sameCatalysts = Mset.is_perm seq r1.catalysts r2.catalysts + let sameRates = rate_equal veq r1.rate r2.rate + let sameReverseRates = opt_equal (rate_equal veq) r1.reverse r2.reverse + in + sameProducts + && sameReactants + && sameCatalysts + && sameRates + && sameReverseRates + +let reversible_reaction_equal seq veq r1 r2 = + let isEq = reaction_equal seq veq r1 r2 + let isReverseEq = + match r1.reverse_reaction() with + | None -> false // the reaction is not reversible + | Some r1' -> reaction_equal seq veq r1' r2 + isEq || isReverseEq + +let reversibles_equal veq opts = Lib.is_permutation (reversible_reaction_equal veq opts) + +let check_reversibles_equal (c1 : Crn) (c2 : Crn) = + // check if c1 and c2 have the same number of reactions + let diff = c1.reactions.Length.CompareTo c2.reactions.Length + let errorMsg a b = a + " has more reactions than " + b + if diff > 0 then failwith (errorMsg c1.name c2.name) + elif diff < 0 then failwith (errorMsg c2.name c1.name) + else + // check that each reaction in c1 has an equivalent in c2 + check_permutation + (reversible_reaction_equal (fun (s1:Species) (s2:Species) -> s1.name = s2.name) (value_eq)) + c1.reactions + c2.reactions + (fun r x _ -> let vPrinter = Expression.to_string id + let ePrinter = Expression.to_string (Key.to_string Species.to_string) + let r12r = Reaction.map id Expression.simplify Expression.simplify r + let reaction = Reaction.to_string Species.to_string vPrinter ePrinter r + "\"" + reaction + "\" not found in " + x + "'s set of reactions" ) + c1.name + c2.name + +let single_reversibles_equal veq opts = Lib.is_permutation (reversible_reaction_equal veq opts) + +//------------- +// Compare events +(* +let target_equal opts t1 t2 = + match t1, t2 with + | Event.Parameter (p1, v1), Event.Parameter (p2, v2) -> p1 = p2 && value_equal v1 v2 + | Event.Species p1, Event.Species p2 -> pops_equal opts p1 p2 + | Event.OutputPoint, Event.OutputPoint -> true + | _ -> false + +let event_equal opts (ev1: Dsd.event) (ev2: Dsd.event) = + (value_equal ev1.time ev2.time) + && (target_equal opts ev1.target ev2.target) + +let events_equal opts evs1 evs2 = + Lib.is_permutation (event_equal opts) evs1 evs2 +*) + +//------------- +// Compare terms +(* +let terms_equal (t1: Dsd.term) (t2: Dsd.term) = + let m1 = (Term.get_metadata t1) + let m2 = Term.get_metadata t2 + if m1 = m2 then + (pops_equal m1.options (Term.get_populations t1) (Term.get_populations t2)) + && (reversibles_equal value_equal m1.options (Term.get_reversibles t1) (Term.get_reversibles t2)) + && (events_equal m1.options (Term.get_events t1) (Term.get_events t2)) + else false +*) + +let checkSettingsEqual (c1: Crn) (c2: Crn) = + // check structural equality for all settings except plots + (* CS: replacing plots with the empty list and then checking for structural equality somehow doesn't work (not sure why). + For example, writing: + let c11 = {c1 with settings = {c1.settings with simulation = Simulation_settings.swapPlots c1.settings.simulation []}} + let c21 = {c2 with settings = {c2.settings with simulation = Simulation_settings.swapPlots c2.settings.simulation []}} + and then trying: + c11 = c21 + returns false, but checking each single field separately -as done below- and then taking their union returns true *) + let s1 = c1.settings + let s2 = c2.settings + let sameData = s1.data = s2.data + let sameDeterministic = s1.deterministic = s2.deterministic + let sameInference = s1.inference = s2.inference + let sameParameters = s1.parameters = s2.parameters + let sameFinal = s1.simulation.final = s2.simulation.final + let sameInitial = s1.simulation.initial = s2.simulation.initial + let sameKinetics = s1.simulation.kinetics = s2.simulation.kinetics + let sameMulticore = s1.simulation.multicore = s2.simulation.multicore + let samePoints = s1.simulation.points = s2.simulation.points + let samePrune = s1.simulation.prune = s2.simulation.prune + let sameTimes = s1.simulation.times = s2.simulation.times + let sameSimulator = s1.simulator = s2.simulator + let sameSpatial = s1.spatial = s2.spatial + let sameStochastic = s1.stochastic = s2.stochastic + let sameSweep = s1.sweeps = s2.sweeps + let sameUnits = s1.units = s2.units + + check ( sameData + && sameDeterministic + && sameInference + && sameParameters + && sameFinal + && sameInitial + && sameKinetics + && sameMulticore + && samePoints + && samePrune + && sameTimes + && sameSimulator + && sameSpatial + && sameStochastic + && sameSweep + && sameUnits ) + (fun _ -> "check_crn_equal: Settings differs") + + let plots1 = List.map Expression.simplify c1.settings.simulation.plots + let plots2 = List.map Expression.simplify c2.settings.simulation.plots + check_permutation + value_eq + plots1 + plots2 + (fun _ _ _ -> "plot mismatch") + "dsd" + "spec" + + +let check_crn_equal_relaxed (c1: Crn) (c2: Crn) = + // check (c1.settings = c2.settings) "check_crn_equal: Settings differs" + let stripNewlines (s:string) = s.Replace("\r\n", "").Replace("\n","").Replace("\t","") + let renamer (s:Species) = Species.create (stripNewlines s.name) + let c1', c2' = c1.map renamer, c2.map renamer + checkSettingsEqual c1' c2' + check_pops_equal_relaxed c1' c2' + check_reversibles_equal c1' c2' + // check (events_equal m1.options (Term.get_events t1) (Term.get_events t2)) "check_terms_equal: Events differ" + +(* +let term_to_string t = Term.to_string Species.display t +*) + +//------------- +let get_populations (crn:Crn) = + // copied from crn_ + let e : Environment.t = crn.settings.parameters |> Parameters.to_env + let pops,_ = Initial.to_initialpops_events e crn.settings.simulation.initial crn.initials + pops + +// Compiling and parsing +let parse_species opts s = + let term = Dsd.compile s + let pop,_ = + Initial.to_initialpops_events + Microsoft.Research.CRNEngine.Environment.empty + term.settings.simulation.initial + term.initials + pop.get_calculus_species_list + + + +//------------- +// Interrogate terms and ui results (internal DSL for testing, for example use see GrandTest.fs) +type rev_reac_stats = + { total : int + ; reversibles : int } +type term_interrogation = + | Num_species of int + | Num_reactions of int + | Num_rev_reactions of rev_reac_stats + | Equals_term of Dsd.term + +(* +let eval_term_interrogation t = function + | Num_species n -> t |> Term.get_populations |> Populations.get_count |> should be (equal n) + | Num_reactions n -> t |> Term.get_reactions |> List.length |> should be (equal n) + | Num_rev_reactions rrs -> + let rs = Term.get_reversibles t + rs |> List.length |> should be (equal rrs.total) + rs |> List.filter (fun (_,o) -> Option.isSome o) |> List.length |> should be (equal rrs.reversibles) + | Equals_term et -> + debugm "Comparing terms:"; debug (term_to_string t); debugm "and"; debug (term_to_string et); + terms_equal t et |> should be (equal true)*) + +type interrogation_action = + | Do_expand + | Do_simulate + | Do_infer + | Do_BME_compile + +type phase_interrogations = + { phase_actions : interrogation_action list + ; before_expansion : term_interrogation list + ; after_expansion : term_interrogation list } + +type example_test = + | Forall_examples of phase_interrogations + | For_these_examples of (string * phase_interrogations) list + +let empty_pi = + { phase_actions = [] + ; before_expansion = [] + ; after_expansion = [] } + +type test_state = + { current_example : string ref + ; stored_time : System.DateTime ref + ; current_program : string ref + ; current_pi : phase_interrogations ref } + +let empty_test_state () = + { current_example = ref "" + ; stored_time = ref System.DateTime.Now + ; current_program = ref "" + ; current_pi = ref empty_pi } + +let store_now state = + state.stored_time := System.DateTime.Now + + (* +let dsd_actions state = + let on_promotion () = debug "Promotion successful" + + let on_dsd_program = + { BMEUI.updated = (fun s -> state.current_program := s) + ; BMEUI.outdated = (fun () -> ()) } + + let on_dsd_compilation = + { BMEUI.updated = + (fun (s: Ui.dsd_compilation_result) -> + debug ("Interrogating " + !state.current_example + " before expansion") + List.iter (eval_term_interrogation s.graphics_term) (!state.current_pi).before_expansion + + if List.exists ((=) Do_expand) (!state.current_pi).phase_actions then + debug ("Expanding " + !state.current_example) + ignore(s.expander.run_expansion (ref false)) + ) + ; BMEUI.outdated = (fun () -> ()) } + + let listeners = + { Ui.on_dsd_program = [on_dsd_program] + ; Ui.on_dsd_compilation = [on_dsd_compilation] + ; Ui.on_domains_export = [] } + + let parse_error (s, p) = + let pos_string = + match p with + | None -> "" + | Some (b: Text.Lexing.Position, e: Text.Lexing.Position) -> + " at line " + string b.Line + + " column " + string b.Column + + " - line " + string e.Line + + " column " + string e.Column + " " + failwith ("Parse error for example " + !state.current_example + + pos_string + ": " + s) + + let dsd_parse_error (s, p) = parse_error ("DSD: " + s, p) + let bme_parse_error (s, p) = parse_error ("BME: " + s, p) + + let parser s = s |> String.trim ['\"'] |> parse_species opts |> List.head + + let opts = Options.default_options + + let species_count = ref 0 + let species_hash = Hashtable.empty () + let find_species_id name = + match Hashtable.tryFind species_hash name with + | Some i -> i + | None -> + let i = !species_count + species_count := i+1 + Hashtable.add species_hash name i + i + let finder s = "species_" + string (find_species_id s) |> Species.UNKNOWN + let parser s = + try + s |> trim ['\"'] |> parse_species opts |> List.head + with _ -> finder s + let namer s = "\"" + Species.display s + "\"" + + let bme_listeners = { BMEUI.listeners = BMEUI.no_listeners () } + let dsd_actions = Ui.create_dsd_actions on_promotion listeners dsd_parse_error parser namer bme_listeners bme_parse_error + + let bme_expanded_hash = Hashtable.empty () + let bme_expand_guard example = + match Hashtable.tryFind bme_expanded_hash example with + | None -> + ( Hashtable.add bme_expanded_hash example (); + true ) + | Some () -> false + let on_term = + { BMEUI.updated = + (fun t -> + if bme_expand_guard !state.current_example then (* skip the first promotion of the unexpanded term *) + debug ("Interrogating " + !state.current_example + " after expansion") + List.iter (eval_term_interrogation t) (!state.current_pi).after_expansion + ) + ; BMEUI.outdated = (fun () -> ()) } + + bme_listeners.listeners.on_compilation <- [on_term] + + let bme_compiled_hash = Hashtable.empty () + let bme_compile_guard example = + match Hashtable.tryFind bme_compiled_hash example with + | None -> + ( Hashtable.add bme_compiled_hash example (); + true ) + | Some () -> false + let on_program = + { BMEUI.updated = + (fun s -> + if List.exists ((=) Do_BME_compile) (!state.current_pi).phase_actions + && bme_compile_guard !state.current_example + then + debug ("BME Compiling " + !state.current_example) + + dsd_actions.bme_actions.actions.promote_program s + ) + ; BMEUI.outdated = (fun () -> ()) } + + bme_listeners.listeners.on_program <- [on_program] + + let ui_callback = + { BMEUI.sim_output = (fun sweep_key time z e o -> ()) + ; BMEUI.species_output = (fun sweep_key time z e ss -> ()) + ; BMEUI.cancel_flag = ref false } + + let bme_simulated_hash = Hashtable.empty () + let bme_simulate_guard example = + match Hashtable.tryFind bme_simulated_hash example with + | None -> + ( Hashtable.add bme_simulated_hash example (); + true ) + | Some () -> false + let on_simulation = + { BMEUI.updated = + (fun s -> + if List.exists ((=) Do_simulate) (!state.current_pi).phase_actions + && bme_simulate_guard !state.current_example + then + debug ("Simulating " + !state.current_example) + let (thunk: 'species BMEUI.simulation_thunk) = s ui_callback + ignore(thunk.run_simulator ()) + ) + ; BMEUI.outdated = (fun () -> ()) } + + bme_listeners.listeners.on_simulation <- [on_simulation] + + let on_inference = + { BMEUI.updated = + (fun (thunk: 'species BMEUI.inference_thunk) -> + if List.exists ((=) Do_infer) (!state.current_pi).phase_actions then + debug ("Running inference on " + !state.current_example) + thunk.run_inference () get_file Filzbach.default_run + ) + ; BMEUI.outdated = (fun () -> ()) } + + bme_listeners.listeners.on_inference <- [on_inference] + + dsd_actions + +let run_example_test = function + | Forall_examples pi -> + let state = empty_test_state () + state.current_pi := pi + let actions = dsd_actions state + let test_example name text = + let interval = System.DateTime.op_Subtraction (System.DateTime.Now, !state.stored_time) + debug ("Time since last: " + (interval.TotalSeconds.ToString ()) + " seconds") + state.current_example := name + debug ("Processing example: " + name) + store_now state + actions.promote_dsd_program "" "" text + if !state.current_program <> text then failwith ("Example " + name + " came back mangled") + debug "Testing all examples" + store_now state + forall_examples test_example + + | For_these_examples epis -> + let state = empty_test_state () + let actions = dsd_actions state + let test_example (name, pi) = + let interval = System.DateTime.op_Subtraction (System.DateTime.Now, !state.stored_time) + debug ("Time since last: " + (interval.TotalSeconds.ToString ()) + " seconds") + state.current_example := name + debug ("Processing example: " + name) + let text = programText name + store_now state + state.current_pi := pi + actions.promote_dsd_program "" "" text + if !state.current_program <> text then failwith ("Example " + name + " came back mangled") + debug "Testing certain examples" + store_now state + List.iter test_example epis + + +let tryFind_pi test name = + match List.tryFind (fun (n, _) -> n = name) test with + | Some (_, pi) -> Some pi + | None -> None + *) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/app.config b/ClassicDSD/ClassicDSDTests/app.config new file mode 100644 index 0000000..cdedeec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/app.config @@ -0,0 +1,33 @@ + + + + + + + + + True + + + + + True + + + + + True + + + + + True + + + + + True + + + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Kim - Oscillator.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Kim - Oscillator.crn new file mode 100644 index 0000000..b9a387a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Kim - Oscillator.crn @@ -0,0 +1,44 @@ +directive sample 0.0,72000.0 1000 +directive plot "[prom trI2 ta2^ a2^ t^ h]"; "[prom tra1 a1^ ta1^ tdI1^ t^ h]" +directive simulation deterministicstiff +directive parameters + [ kTA21 = 7.4E-05 + ; kTA12 = 1.4E-05 + ; kAI1 = 5.3E-05 + ; krAI1 = 2.4E-05 + ; kAI2 = 3.1E-05 + ; kTAI21 = 2.8E-05 + ; kTAI12 = 0.00014 + ; kAIrA1 = 2.8E-05 + ; cRNaseH = 15.0 + ; cRNAP = 125.0 + ; kRNAP = 0.0323 + ; kRNaseH = 0.0196 + ; S = 0.02 ] + +init "" 250.0 | +init "[p^ a1^ ta1^]{tdI1^*}" 0.0 | +init "" 500.0 | +init "[ta2^ a2^ t^]" 0.0 | +init "[prom tra1 a1^ ta1^ tdI1^ t^ h]" 120.0 | +init "{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" 0.0 | +init "[prom trI2 ta2^ a2^ t^ h]" 250.0 | +init "{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" 0.0 | +init "" 1000.0 | +init "" 0.0 | +init "{p^*}[a1^ ta1^ tdI1^]" 0.0 | +init "" 0.0 | +"[ta2^ a2^ t^]" ->{((S * 0.24) * (cRNaseH / 18.4))} "" | +"{p^*}[a1^ ta1^ tdI1^]" ->{((S * 0.05) * (cRNaseH / 76.5))} "" | +"{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" ->{(0.05 * (cRNAP / (68.5 + cRNAP)))} "{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" + "" | +"{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" ->{(0.08 * (cRNAP / (247.8 + cRNAP)))} "{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" + "" | +"[prom tra1 a1^ ta1^ tdI1^ t^ h]" ->{(0.002 * (cRNAP / (2620.02 + cRNAP)))} "[prom tra1 a1^ ta1^ tdI1^ t^ h]" + "" | +"[prom trI2 ta2^ a2^ t^ h]" ->{(0.02 * (cRNAP / (2670.2 + cRNAP)))} "[prom trI2 ta2^ a2^ t^ h]" + "" | +"[prom tra1 a1^ ta1^ tdI1^ t^ h]" + "" ->{kTA12} "{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" | +"[prom trI2 ta2^ a2^ t^ h]" + "" ->{kTA21} "{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" | +"[prom trI2 ta2^ a2^ t^ h]" + "[p^ a1^ ta1^]{tdI1^*}" <->{0.0}{kTAI21} "{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" + "" | +"" + "" ->{kAI1} "[p^ a1^ ta1^]{tdI1^*}" | +"" + "" ->{krAI1} "{p^*}[a1^ ta1^ tdI1^]" | +"[p^ a1^ ta1^]{tdI1^*}" + "" <->{kAIrA1}{0.0} "{p^*}[a1^ ta1^ tdI1^]" + "" | +"{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" + "" ->{kTAI12} "[ta2^ a2^ t^]" + "[prom tra1 a1^ ta1^ tdI1^ t^ h]" | +"" + "" ->{kAI2} "[ta2^ a2^ t^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Kim - Oscillator.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Kim - Oscillator.dna new file mode 100644 index 0000000..4e25a0d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Kim - Oscillator.dna @@ -0,0 +1,158 @@ +directive compilation infinite +directive concentration nM +directive polymers +directive parameters [ +kTA21 = 74000.0e-9; +kTA12 = 14000.0e-9; +kAI1 = 53000.0e-9; +krAI1 = 24000.0e-9; +kAI2 = 31000.0e-9; +kTAI21 = 28000.0e-9; +kTAI12 = 140000.0e-9; +kAIrA1 = 28000.0e-9; +cRNaseH = 1.5e+1; +cRNAP = 1.25e+2; +kRNAP = 0.0323; +kRNaseH = 0.0196; +S = 0.02 +] + +(*directive sweep S = [0.1,0.09,0.08,0.07,0.06,0.05,0.04,0.02,0.01]*) +directive sample 72000.0 1000 +directive simulation deterministicstiff +directive plot T21(); T12() (*; rI2(); A2() *) +dom ta2 = {bind = kTAI12; colour = "lightblue"} +dom a2 = {bind = kTA12; colour = "red"} +dom t = {bind = 0.0; colour = "blue"} (* negligible binding rate *) +dom p = {bind = 0.0; colour = "purple"} (* negligible binding rate *) +dom ta1 = {bind = kTAI21; colour = "darkgreen"} +dom a1 = {bind = kTA21; colour = "magenta" } +dom tdI1 = {bind = kAIrA1; colour = "black"} +dom AI1 = {bind = kAI1; subdomains = [p;a1;ta1]} +dom AI2 = {bind = kAI2; subdomains = [ta2;a2;t]} +dom rAI1 = {bind = krAI1; subdomains = [a1;ta1;tdI1]} +dom TA12 = {bind = kTA12; subdomains = [a2;t] } +dom TA21 = {bind = kTA21; subdomains = [t*;p;a1] } +(* +dom prom = {colour = "blue"} +dom h = {colour = "brown"} +dom trI2 = {colour = "lightgreen"} +*) + +new RNaseH new RNaseHA2rI2 new RNaseHrA1dI1 +new RNAP new RNAPT12A2 new RNAPT21A1 new RNAPT12 new RNAPT21 +def RNaseH() = +def RNaseHA2rI2() = +def RNaseHrA1dI1() = +def RNAP() = +def RNAPT12A2() = +def RNAPT21A1() = +def RNAPT12() = +def RNAPT21() = + +def rA1() = +def A1() = +def dI1() = +def A2() = +def rI2() = +def A2rI2() = [ta2^ a2^ t^] +def rA1dI1() = {p^*}[a1^ ta1^ tdI1^] +def A1dI1() = [p^ a1^ ta1^]{tdI1^*} +def T12() = [prom tra1 a1^ ta1^ tdI1^ t^ h] +def T12A2() = {ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h] +def T21() = [prom trI2 ta2^ a2^ t^ h] +def T21A1() = {ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h] +def T11A2() = {ta2^*}[a2^ t^]::[prom trI2 ta2^ a2^ t^ h] +def T11() = [prom trI2 ta2^ a2^ t^ h] + + +def kplus = 1.0e-1 +def kplusH = 1.0e-1 +def kminusON12 = 6.8 +def kminusOFF12 = 262.0 +def kminusON21 = 24.7 +def kminusOFF21 = 267.0 +def kminusH1 = 7.6 +def kminusH2 = 1.6 +def kcatON12 = 0.05 +def kcatOFF12 = 0.002 +def kcatON21 = 0.08 +def kcatOFF21 = 0.02 +def kcatH1 = 0.05 +def kcatH2 = 0.24 + +def KMH1 = (kminusH1 + kcatH1) / kplusH +def KMH2 = (kminusH2 + kcatH2) / kplusH +def KMON12 = (kminusON12 + kcatON12) / kplus +def KMON21 = (kminusON21 + kcatON21) / kplus +def KMOFF12 = (kminusOFF12 + kcatOFF12) / kplus +def KMOFF21 = (kminusOFF21 + kcatOFF21) / kplus + +def Activation() = +( 1.2e+2*T11() +| 5.0e+2*A2() +| 0*A2rI2() +| 0*T11A2() +| rxn A2rI2() ->{kRNaseH} A2() +| rxn T11A2() ->{kRNAP} T11A2() + rI2() +| 0*rI2() +) +def RNaseH_enzymatic() = +( 1.5e+1*RNaseH() +| rxn RNaseH() + A2rI2() <->{kplusH}{kminusH2} RNaseHA2rI2() +| rxn RNaseHA2rI2() ->{kcatH2} RNaseH() + A2() +| rxn RNaseH() + rA1dI1() <->{kplusH}{kminusH1} RNaseHrA1dI1() +| rxn RNaseHrA1dI1() ->{kcatH1} RNaseH() + dI1() +) +def RNaseH_firstorder() = +( rxn A2rI2() ->{S*kcatH2*cRNaseH/KMH2} A2() +| rxn rA1dI1() ->{S*kcatH1*cRNaseH/KMH1} dI1() +) +def RNAP_enzymatic() = +( 1.25e+2*RNAP() +| rxn RNAP() + T12A2() <->{kplus}{kminusON12} RNAPT12A2() +| rxn RNAPT12A2() ->{kcatON12} RNAP() + T12A2() + rA1() +| rxn RNAP() + T21A1() <->{kplus}{kminusON21} RNAPT21A1() +| rxn RNAPT21A1() ->{kcatON21} RNAP() + T21A1() + rI2() +| rxn RNAP() + T12() <->{kplus}{kminusOFF12} RNAPT12() +| rxn RNAPT12() ->{kcatOFF12} RNAP() + T12() + rA1() +| rxn RNAP() + T21() <->{kplus}{kminusOFF21} RNAPT21() +| rxn RNAPT21() ->{kcatOFF21} RNAP() + T21() + rI2() +) +def RNAP_firstorder() = +( rxn T12A2() ->{kcatON12*cRNAP/(KMON12 + cRNAP)} T12A2() + rA1() +| rxn T21A1() ->{kcatON21*cRNAP/(KMON21 + cRNAP)} T21A1() + rI2() +| rxn T12() ->{kcatOFF12*cRNAP/(KMOFF12 + cRNAP)} T12() + rA1() +| rxn T21() ->{kcatOFF21*cRNAP/(KMOFF21 + cRNAP)} T21() + rI2() +) +def System() = +( 1.2e+2*T12() +| 5.0e+2*A2() +| 2.5e+2*T21() +| 2.5e+2*A1() +| 1.0e+3*dI1() +| 0*rA1() +| 0*rI2() +| 0*A2rI2() +| 0*T12A2() +| 0*T21A1() +| 0*rA1dI1() +| 0*A1dI1() +| RNaseH_firstorder() +(* | RNaseH_enzymatic() *) +| RNAP_firstorder() +(* | RNAP_enzymatic() *) +) + +System() +(* Activation() *) + +(* +| RNaseH_enzymatic() +| RNaseH_firstorder() +| RNAP_enzymatic() +| RNAP_firstorder() + +System() +Activation() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Montagne - Oscillator.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Montagne - Oscillator.crn new file mode 100644 index 0000000..adfcd8f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Montagne - Oscillator.crn @@ -0,0 +1,63 @@ +directive sample 0.0,100000.0 1000 +directive plot ""; ""; "" +directive simulation deterministicstiff +directive parameters + [ ka = 0.00043333 + ; kda = 0.0383 + ; kdb = 0.0135 + ; kdInhT1 = 9.5E-05 + ; kdInhT3 = 3.5E-05 + ; kpol = 0.2833 + ; kIpol = 0.115 + ; knick = 0.05 + ; kexoa = 0.0053 + ; kexob = 0.0062 + ; kexoInh = 0.02 + ; ku = 0.0 ] + +init "" 0.1 | +init "" 0.1 | +init "[a^ b^]" 0.0 | +init "[b^ inh^]" 0.0 | +init "[a^ a^]" 0.0 | +init "" 0.1 | +init "[a^ inh^ a^]" 0.0 | +init "[a^]:[b^]" 0.0 | +init "{a^*}[b^]" 0.0 | +init "{a^* b^*}" 5.0 | +init "[a^]{b^*}" 0.0 | +init "[b^]:[inh^]" 0.0 | +init "{b^*}[inh^]" 0.0 | +init "{b^* inh^*}" 30.0 | +init "[b^]{inh^*}" 0.0 | +init "[a^]:[a^]" 0.0 | +init "{a^*}[a^]" 0.0 | +init "{a^* a^*}" 30.0 | +init "[a^]{a^*}" 0.0 | +"[a^]{b^*}" ->{kpol} "[a^ b^]" | +"[a^ b^]" ->{knick} "[a^]:[b^]" | +"[a^]:[b^]" ->{kpol} "[a^ b^]" + "" | +"[b^]{inh^*}" ->{kIpol} "[b^ inh^]" | +"[b^ inh^]" ->{knick} "[b^]:[inh^]" | +"[b^]:[inh^]" ->{kIpol} "[b^ inh^]" + "" | +"[a^]{a^*}" ->{kpol} "[a^ a^]" | +"[a^ a^]" ->{knick} "[a^]:[a^]" | +"[a^]:[a^]" ->{kpol} "[a^ a^]" + "" | +"" + "{a^* a^*}" <->{ka}{kdInhT1} "[a^ inh^ a^]" | +"" + "[a^]{a^*}" <->{ka}{ku} "[a^ inh^ a^]" + "" | +"" + "{a^*}[a^]" <->{ka}{ku} "[a^ inh^ a^]" + "" | +"" ->{kexoa} | +"" ->{kexob} | +"" ->{kexoInh} | +"[a^]:[b^]" <->{kda}{ka} "{a^*}[b^]" + "" | +"{a^*}[b^]" <->{kdb}{ka} "{a^* b^*}" + "" | +"{a^* b^*}" + "" <->{ka}{kda} "[a^]{b^*}" | +"[a^]:[b^]" <->{kdb}{ka} "[a^]{b^*}" + "" | +"[b^]:[inh^]" <->{kdb}{ka} "{b^*}[inh^]" + "" | +"{b^*}[inh^]" <->{kdInhT3}{ka} "{b^* inh^*}" + "" | +"{b^* inh^*}" + "" <->{ka}{kdb} "[b^]{inh^*}" | +"[b^]:[inh^]" <->{kdInhT3}{ka} "[b^]{inh^*}" + "" | +"[a^]:[a^]" <->{kda}{ka} "{a^*}[a^]" + "" | +"{a^*}[a^]" <->{kda}{ka} "{a^* a^*}" + "" | +"{a^* a^*}" + "" <->{ka}{kda} "[a^]{a^*}" | +"[a^]:[a^]" <->{kda}{ka} "[a^]{a^*}" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Montagne - Oscillator.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Montagne - Oscillator.dna new file mode 100644 index 0000000..c1589a1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2011 Mol Syst Biol - Montagne - Oscillator.dna @@ -0,0 +1,98 @@ + +directive parameters + [ ka = 4.3333e-04 + ; kda = 0.0383 + ; kdb = 0.0135 + ; kdInhT1 = 9.5e-5 + ; kdInhT3 = 3.5e-5 + ; kpol = 0.2833 + ; kIpol = 0.1150 + ; knick = 0.05 + ; kexoa = 0.0053 + ; kexob = 0.0062 + ; kexoInh = 0.02 + ; ku = 0.0 + ] + +(*directive sweep s2 = {inh0 = [0.0,0.1,0.3,0.5,0.8,1.0]}*) +directive unproductive +directive simulation deterministicstiff +directive duration 100000.0 points 1000 +directive plot A(); B(); Inh() + +dom a = {bind = ka; unbind = kda; colour = "red"} +dom b = {bind = ka; unbind = kdb; colour = "green"} +dom inh = {bind = ka; unbind = kdInhT3; colour = "blue"} + +def Signal(x) = +def Primed(x,y) = [x^]{y^*} +def Extended(x,y) = [x^ y^] +def Template(x,y) = {x^* y^*} +def LHTemplate(x,y) = [x^]{y^*} +def RHTemplate(x,y) = {x^*}[y^] +def Nicked(x,y) = [x^]:[y^] +def Inhibited(x,y) = [y^ x^ y^] + +def Activation(N,x,y,kp,kn) = +( N * Template(x,y) +| rxn Primed(x,y) ->{kp} Extended(x,y) +| rxn Extended(x,y) ->{kn} Nicked(x,y) +| rxn Nicked(x,y) ->{kp} Extended(x,y) + Signal(y) +| 0*Primed(x,y) +| 0*Extended(x,y) +| 0*Nicked(x,y) +) +def Repression(N,x,y,kp,kn) = +( Activation(N,y,y,kp,kn) +| rxn Signal(x) + Template(y,y) <->{ka,kdInhT1} Inhibited(x,y) +| rxn Signal(x) + LHTemplate(y,y) <->{ka,ku} Inhibited(x,y) + Signal(y) +| rxn Signal(x) + RHTemplate(y,y) <->{ka,ku} Inhibited(x,y) + Signal(y) +| 0*Inhibited(x,y) +) +def Exo(x,k) =(rxn Signal(x) ->{k} ) +def A() = Signal(a) +def B() = Signal(b) +def Inh() = Signal(inh) +def Oscillator() = +( 0.1 * A() +| 0.1 * B() +| 0.1 * Inh() +| Activation(5.0,a,b,kpol,knick) +| Activation(30.0,b,inh,kIpol,knick) +| Repression (30.0,inh,a,kpol,knick) +| Exo(a,kexoa) +| Exo(b,kexob) +| Exo(inh,kexoInh) +) +def Catalysis() = +( 0.1 * A() +| 0.1 * B() +| Activation(5.0,a,b,kpol,knick) +) + +Oscillator() + + +(* +Oscillator() +Catalysis() + +(Signal(A) | Activation(1.0,A,A) | Exo(A)) + +(inh0 * Signal(Inh) +|0.01 * Signal(A) +| Repression(1.0,Inh,A)) + + +(0.1 * Signal(A) +|0.1 * Signal(B) +|0.1 * Signal(C) +| Activation(1.0,A,B) +| Activation(1.0,B,C) +| Repression (10.0,C,A) +| Exo(A) +| Exo(B) +| Exo(C) +) + +*) diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Buffered Oscillator.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Buffered Oscillator.crn new file mode 100644 index 0000000..895dcd5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Buffered Oscillator.crn @@ -0,0 +1,593 @@ +directive sample 0.0,250000.0 1000 +(*directive plot sum("";"";""); sum("";"";""); sum("";"";"")*) +directive reltolerance 0.0001 +directive scale 100.0 + +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 100.0 | +init "" 1000.0 | +init "[J]{t^*}" 1000.0 | +init "[K]{t^*}" 1000.0 | +init "" 100.0 | +init "" 10.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 0.0 | +init "[K t^]" 0.0 | +init "" 0.0 | +init "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 100.0 | +init "" 1000.0 | +init "[J.3]{t^*}" 1000.0 | +init "[K.4]{t^*}" 1000.0 | +init "" 100.0 | +init "" 10.0 | +init "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "" 0.0 | +init "[K.4 t^]" 0.0 | +init "" 0.0 | +init "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 100.0 | +init "" 1000.0 | +init "[J.8]{t^*}" 1000.0 | +init "[K.9]{t^*}" 1000.0 | +init "" 100.0 | +init "" 10.0 | +init "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "" 0.0 | +init "[K.9 t^]" 0.0 | +init "" 0.0 | +init "" 2.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 4.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[J t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 2.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[J.8 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[J.3 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +"{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[K]{t^*}" + "" ->{0.0003} "[K t^]" + "" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[K.4]{t^*}" + "" ->{0.0003} "[K.4 t^]" + "" | +"[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[K.9]{t^*}" + "" ->{0.0003} "[K.9 t^]" + "" | +"[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" + "" | +"[J]{t^*}" + "" ->{0.0003} "[J t^]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 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t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[J.8]{t^*}" + "" ->{0.0003} "[J.8 t^]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B 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+"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" + "" | +"[t^ K]:[t^ A]:[t^ 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<->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[J.3]{t^*}" + "" ->{0.0003} "[J.3 t^]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Buffered Oscillator.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Buffered Oscillator.dna new file mode 100644 index 0000000..b5e737c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Buffered Oscillator.dna @@ -0,0 +1,37 @@ +directive sample 250000.0 1000 +(* directive plot sum(<_ t^ A>); sum(<_ t^ B>); sum(<_ t^ C>); + {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I] +*) +directive scale 100.0 +directive reltolerance 1e-4 + +def bind = 0.0003 +def unbind = 0.1126 +new t@bind,unbind + +(* Signal species A. *) +def Species(M, h, A) = M * + +(* Buffered join gate A + B -> C + D. *) +def BJ2x2(Buffer,Fuel,Init,A,B,C,D) = +new I new J new K new Ch new Dh +( Buffer * {t^*}[K t^]:[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] +| Fuel * +| Fuel * [J]{t^*} +| Fuel * [K]{t^*} +| (Init*10) * +| Init * ) + +(* Buffered three-phase oscillator (ABC). *) +def Buffer = 100 +def Init = 10 +def Fuel = 1000 +new Ah new A new Bh new B new Ch new C +( BJ2x2(Buffer, Fuel, Init, A, B, B, B) +| BJ2x2(Buffer, Fuel, Init, B, C, C, C) +| BJ2x2(Buffer, Fuel, Init, C, A, A, A) +| Species(2, Ah, A) +| Species(4, Bh, B) +| Species(2, Ch, C) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Join Gates.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Join Gates.crn new file mode 100644 index 0000000..1d6dabe --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Join Gates.crn @@ -0,0 +1,41 @@ +directive sample 0.0,2000000.0 1000 +directive plot sum(""); sum(""); sum(""); sum(""); "" +directive scale 100.0 + +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 1000.0 | +init "" 1000.0 | +init "[J]{t^*}" 1000.0 | +init "[K]{t^*}" 1000.0 | +init "" 10.0 | +init "" 1.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 0.0 | +init "[K t^]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 1.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^ I]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[J t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +"{t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" | +"[K]{t^*}" + "" ->{0.0003} "[K t^]" + "" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^ I]" + "" | +"[J]{t^*}" + "" ->{0.0003} "[J t^]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]{t^*}:[I]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Join Gates.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Join Gates.dna new file mode 100644 index 0000000..87910ca --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Join Gates.dna @@ -0,0 +1,54 @@ +directive sample 2000000.0 1000 +directive plot sum(); sum(); sum(); + sum(); ; + {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I] +directive scale 100.0 + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new t@bind,unbind + +(* Signal species with history domain h and signal domain A. *) +def Species(M,h,A) = M * + +(* Buffered join gate A + B -> C + D. *) +def BJ2x2(Buffer,Fuel,Init,A,B,C,D) = + new I new J new K new Ch new Dh + ( Buffer * {t^*}[K t^]:[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * [K]{t^*} + | (Init*10) * + | Init * ) + +(* Unbuffered join gate (with garbage collection) A + B -> C + D. *) +def J2x2(Fuel, N, A, B, C, D) = + new I new J new K new Ch new Dh + ( N * {t^*}[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * {t^*}[K] + | (N*10) * ) + +(* ********** Examples ********** *) + +(* Single buffered reaction A + B -> C + D. *) +(* Set Buffer and Fuel to 100 when enabling leaks. *) +def Buffer = 1000 +def Fuel = 1000 +def Init = 1 +( BJ2x2(Buffer, Fuel, Init, A, B, C, D) +| Species(1,hA,A) +| Species(1,hB,B) ) + +(* Single unbuffered reaction A + B -> C + D. *) +(* Set Fuel to 100 when enabling leaks. *) +(* +def Fuel = 1000 +def N = 1 +( J2x2(Fuel, N, A, B, C, D) +| Species(1,hA,A) +| Species(1,hB,B) ) +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Unbuffered Oscillator.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Unbuffered Oscillator.crn new file mode 100644 index 0000000..79e0689 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Unbuffered Oscillator.crn @@ -0,0 +1,406 @@ +directive sample 0.0,5000000.0 5000 + +(*directive plot sum("";"";""); sum("";"";""); sum("";"";"") *) +directive reltolerance 0.0001 +directive scale 100.0 +directive simulation deterministicstiff + +init "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 100.0 | +init "" 1000.0 | +init "" 1000.0 | +init "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 100.0 | +init "" 1000.0 | +init "" 1000.0 | +init "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 100.0 | +init "" 1000.0 | +init "" 1000.0 | +init "" 2.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "" 4.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "" 2.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +"{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | 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t^]:[Dh t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ 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t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Unbuffered Oscillator.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Unbuffered Oscillator.dna new file mode 100644 index 0000000..7cf7a46 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin - Unbuffered Oscillator.dna @@ -0,0 +1,34 @@ +directive sample 5000000.0 5000 +(*directive plot sum(<_ t^ A>); sum(<_ t^ B>); sum(<_ t^ C>); + {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^]; + {t^*}[B t^]:[C t^]:[Ch t^]:[Dh t^]; + {t^*}[C t^]:[A t^]:[Ch t^]:[Dh t^]*) + +directive scale 100.0 +directive reltolerance 1e-4 +directive simulation deterministicstiff + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new t@bind,unbind + +(* Signal species A. *) +def Species(M, h, A) = M * + +(* Unbuffered join gate (no GC) A + B -> C + D. *) +def J2x2_NoGC(Fuel, N, A, B, C, D) = +new I new J new K new Ch new Dh +( N * {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^] +| Fuel * +| (N*10) * ) + +(* Unbuffeed three-phase oscillator (ABC). *) +def N = 100 +def Fuel = 1000 +new Ah new A new Bh new B new Ch new C +( J2x2_NoGC(Fuel, N, A, B, B, B) +| J2x2_NoGC(Fuel, N, B, C, C, C) +| J2x2_NoGC(Fuel, N, C, A, A, A) +| Species(2, Ah, A) +| Species(4, Bh, B) +| Species(2, Ch, C) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin Parker - Examples.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin Parker - Examples.crn new file mode 100644 index 0000000..049cc2c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin Parker - Examples.crn @@ -0,0 +1,46 @@ +directive sample 0.0,300000.0 1000 + +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x0 t^]:[c]:[a t^]:[a]" 1.0 | +init "[t^ x0]{t^*}:[c]:[a t^]:[a]" 0.0 | +init "[t^ x0]:[t^ c a]{t^*}:[a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x0]:[t^ x1]:[c]:[t^ a]{t^*}" 1.0 | +init "[x0]:[t^ x1]:[c]{t^*}:[a t^]" 0.0 | +init "[x0]{t^*}:[x1 c t^]:[a t^]" 0.0 | +init "[x0 t^]:[x1 c t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x0]:[t^ c a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x1 t^]:[c.1]:[a t^]:[a]" 1.0 | +init "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]{t^*}:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" 1.0 | +init "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" 0.0 | +init "[x1]{t^*}:[x2 c.1 t^]:[a t^]" 0.0 | +init "[x1 t^]:[x2 c.1 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]{t^*}:[a]" + "" + "" | +"{t^*}[x0 t^]:[c]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" | +"[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" ->{0.001} "[x0]{t^*}:[x1 c t^]:[a t^]" + "" + "" | +"[x0]{t^*}:[x1 c t^]:[a t^]" + "" ->{0.001} "[x0 t^]:[x1 c t^]:[a t^]" + "" | +"[t^ x0]:[t^ c a]{t^*}:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]:[t^ a]" + "" | +"[x0]:[t^ x1]:[c]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" | +"[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" + "" | +"[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]:[t^ a]" + "" | +"{t^*}[x1 t^]:[c.1]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" | +"[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" | +"[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" ->{0.001} "[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" + "" | +"[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" ->{0.001} "[x1 t^]:[x2 c.1 t^]:[a t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin Parker - Examples.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin Parker - Examples.dna new file mode 100644 index 0000000..bb34cd9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2012 Interface - Lakin Parker - Examples.dna @@ -0,0 +1,208 @@ + +(* *********************************************** *) + +(* *** USE INFINITE SEMANTICS *** *) +directive compilation infinite +directive sample 300000.0 1000 +directive plot ; ; + +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) + +new t@bind,unbind + +(* *********************************************** *) + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +(* Transducer gate - fixed, with GC *) +def T2(N, x, y) = new a new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +(* Catalyst gate - with GC *) +def C(N,x,y,z) = new a new c +( N * {t^*}[x t^]:[y t^]:[c]:[a t^]:[a] +| N * +| N * [x]:[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| N * +) + +(* Catalyst gate - no GC *) +def C_NoGC(N,x,y,z) = new a new c +( N * {t^*}[x t^]:[y t^]:[c]:[a t^](*:[a]*) +| N * +| N * (*[x]:*)[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| N * +) + +(* Catalyst gate - no GC, using "constant" for fuels and waste *) +def C_NoGC_Constant(N,x,y,z) = new a new c +( constant N * {t^*}[x t^]:[y t^]:[c]:[a t^](*:[a]*) +| constant N * +| constant N * +| constant N * (*[x]:*)[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| constant N * +| constant N * [t^ x]:[t^ y]:[t^ c a]{t^*} (* 0? *) +| constant N * {t^*}[z c t^]:[y t^]:[a t^] (* 0? *) +| constant N * (* 0? *) +| constant N * (* 0? *) +| constant N * +) + +(* *********************************************** *) + +(* Example 1 - two buggy transducers in series *) +(* Increase N to see increased probability of correctness *) +(* *** DSD is OK up to N=4, crashes when N=5. *** *) + +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) ) + + +(* Example 2a - one corrected transducer (K=1) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 +def N = 1 +( S(N, x0) | T2(N, x0, x1) ) +*) + +(* Example 2b - two corrected transducers in series (K=2) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) ) +*) + +(* Example 2c - three corrected transducers in series (K=3) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) ) +*) + +(* Example 2d - four corrected transducers in series (K=4) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) ) +*) + +(* Example 2e - five corrected transducers in series (K=5) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) ) +*) + +(* Example 2f - six corrected transducers in series (K=6) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) ) +*) + +(* Example 2g - seven corrected transducers in series (K=7) *) +(* Don't modify N in this example *) +(* This is the longest chain example you can build in DSD. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) ) +*) + +(* Example 2h - eight corrected transducers in series (K=8) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) ) +*) + +(* Example 2i - nine corrected transducers in series (K=9) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) | T2(N, x8, x9) ) +*) + +(* Example 2j - ten corrected transducers in series (K=10) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 new x10 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) | T2(N, x8, x9) | T2(N, x9, x10) ) +*) + +(* *********************************************** *) + +(* Example 3 - catalyst gate with GC *) +(* Increase N to observe kinetics. *) +(* *** DSD is OK up to N=9, crashes when N=10. *** *) +(* +new x new y new z +def N = 9 +( S(N, x) | S(N, y) | C(N, x, y, z) ) +*) + +(* Example 4 - catalyst gate without GC *) +(* Increase N to observe kinetics *) +(* *** DSD is OK up to N=15, crashes when N=16. *** *) +(* +new x new y new z +def N = 15 +( S(N, x) | S(N, y) | C_NoGC(N, x, y, z) ) +*) + +(* *********************************************** *) + +(* Example 5 - approximate majority *) +(* Size of state space should be independent of N. *) +(* Modify InitialX and InitialY. *) +(* *** DSD is OK to InputX=3, InputY=3 if require InputX=InputY. *** *) +(* +new x new y new z new b +def Cat(N,x,y,z) = C_NoGC_Constant(N,x,y,z) +def InitialX = 3 +def InitialY = 3 +def N = 10000 +( C_NoGC_Constant(N,x,y,b) +| C_NoGC_Constant(N,y,x,b) +| C_NoGC_Constant(N,b,x,x) +| C_NoGC_Constant(N,b,y,y) +| InitialX * +| InitialY * ) +*) + +(* *********************************************** *) diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn new file mode 100644 index 0000000..5e98311 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn @@ -0,0 +1,249 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "{t^*}[x t^]:[x']" Cmax | +init "{t^*}[x' t^]:[x]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[r t^]:[r']" Cmax | +init "{t^*}[r' t^]:[r]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[v t^]:[v']" Cmax | +init "{t^*}[v' t^]:[v]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[e t^]:[e']" Cmax | +init "{t^*}[e' t^]:[e]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^(c)*}[r u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ r]{u^*}" Cmax | +init "{t^(c)*}[e u^]:[x u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e u^]:[v u^]:[i]" Cmax | +init "{t^(c)*}[x u^]:[v u^]:[i]" Cmax | +init "[i]:[t^ x]{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v]{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[r' u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ r']{u^*}" Cmax | +init "{t^(c)*}[e' u^]:[x' u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e' u^]:[v' u^]:[i]" Cmax | +init "{t^(c)*}[x' u^]:[v' u^]:[i]" Cmax | +init "[i]:[t^ x']{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v']{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[y u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ y]{u^*}" Cmax | +init "[i]:[t^ e']{u^*}" (4.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[y' u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ y']{u^*}" Cmax | +init "[i]:[t^ e]{u^*}" (4.0 * Cmax) | +init "" (2.0 * Cmax) | +init "" (10.0 * Cmax) | +init "" (10.0 * Cmax) | +init "{t^(c)*}[e]" Cmax | +init "{t^(c)*}[v]" Cmax | +init "{t^(c)*}[e']" Cmax | +init "{t^(c)*}[v']" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "[t^ r]{t^*}:[r']" 0.0 | +init "[t^(c) r]{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) r]:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) r]:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e u^]" 0.0 | +init "[i t^]:[e u^]" 0.0 | +init "" 0.0 | +init "[t^ e]{t^*}:[e']" 0.0 | +init "[t^(c) e]{u^*}:[x u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ x]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ x]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x u^]" 0.0 | +init "[i t^]:[x u^]" 0.0 | +init "" 0.0 | +init "[t^ x]{t^*}:[x']" 0.0 | +init "[t^(c) x]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) x]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) x]:[u^ v]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v u^]" 0.0 | +init "[i t^]:[v u^]" 0.0 | +init "" 0.0 | +init "[t^ v]{t^*}:[v']" 0.0 | +init "[t^(c) v]" 0.0 | +init "" 0.0 | +init "[t^(c) e]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ v]:[u^ i]" 0.0 | +init "[t^(c) e]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r u^]" 0.0 | +init "[i t^]:[r u^]" 0.0 | +init "" 0.0 | +init "[t^ r']{t^*}:[r]" 0.0 | +init "[t^ r']:[t^ r]" 0.0 | +init "" 0.0 | +init "[t^(c) r']{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) r']:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) r']:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e' u^]" 0.0 | +init "[i t^]:[e' u^]" 0.0 | +init "" 0.0 | +init "[t^ e']{t^*}:[e]" 0.0 | +init "[t^ e']:[t^ e]" 0.0 | +init "[t^(c) e']{u^*}:[x' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ x']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ x']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x' u^]" 0.0 | +init "[i t^]:[x' u^]" 0.0 | +init "" 0.0 | +init "[t^ x']{t^*}:[x]" 0.0 | +init "[t^ x']:[t^ x]" 0.0 | +init "" 0.0 | +init "[t^(c) x']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) x']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) x']:[u^ v']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v' u^]" 0.0 | +init "[i t^]:[v' u^]" 0.0 | +init "" 0.0 | +init "[t^ v']{t^*}:[v]" 0.0 | +init "[t^ v']:[t^ v]" 0.0 | +init "[t^(c) v']" 0.0 | +init "" 0.0 | +init "[t^ v]:[t^ v']" 0.0 | +init "[t^ x]:[t^ x']" 0.0 | +init "" 0.0 | +init "[t^(c) e']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ v']:[u^ i]" 0.0 | +init "[t^(c) e']" 0.0 | +init "" 0.0 | +init "[t^ e]:[t^ e']" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r' u^]" 0.0 | +init "[i t^]:[r' u^]" 0.0 | +init "[t^ r]:[t^ r']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^(c) y]{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) y]:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) y]:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y u^]" 0.0 | +init "[i t^]:[y u^]" 0.0 | +init "" 0.0 | +init "[t^(c) y']{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) y']:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) y']:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y' u^]" 0.0 | +init "[i t^]:[y' u^]" 0.0 | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"{t^*}[r t^]:[r']" + "" <->{kt}{kt} "[t^ r]{t^*}:[r']" + "" | +"[t^(c) r]:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) r]:[u^ e]:[u^ i]" + "" | +"[t^(c) r]{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) r]:[u^ e]{u^*}:[i]" + "" | +"[i]{t^*}:[e u^]" + "" ->{kt} "[i t^]:[e u^]" + "" | +"{t^(c)*}[e]" + "" ->{(kt * c)} "[t^(c) e]" + "" | +"[i]:[t^ e]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e u^]" + "" | +"{t^*}[e t^]:[e']" + "" <->{kt}{kt} "[t^ e]{t^*}:[e']" + "" | +"{t^(c)*}[e u^]:[x u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[x u^]:[i]" + "" | +"[t^(c) e]:[u^ x]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ x]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[x u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ x]{u^*}:[i]" + "" | +"[i]{t^*}:[x u^]" + "" ->{kt} "[i t^]:[x u^]" + "" | +"[i]:[t^ x]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x u^]" + "" | +"{t^*}[x t^]:[x']" + "" <->{kt}{kt} "[t^ x]{t^*}:[x']" + "" | +"{t^(c)*}[x u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x]{u^*}:[v u^]:[i]" + "" | +"[t^(c) x]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) x]:[u^ v]:[u^ i]" + "" | +"[t^(c) x]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) x]:[u^ v]{u^*}:[i]" + "" | +"[i]{t^*}:[v u^]" + "" ->{kt} "[i t^]:[v u^]" + "" | +"{t^(c)*}[v]" + "" ->{(kt * c)} "[t^(c) v]" + "" | +"[i]:[t^ v]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v u^]" + "" | +"{t^*}[v t^]:[v']" + "" <->{kt}{kt} "[t^ v]{t^*}:[v']" + "" | +"{t^(c)*}[e u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[v u^]:[i]" + "" | +"[t^(c) e]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ v]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ v]{u^*}:[i]" + "" | +"{t^(c)*}[r u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r]{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[r u^]" + "" ->{kt} "[i t^]:[r u^]" + "" | +"[i]:[t^ r]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r u^]" + "" | +"[t^ r]{t^*}:[r']" + "" ->{kt} "[t^ r]:[t^ r']" + "" | +"{t^*}[r' t^]:[r]" + "" <->{kt}{kt} "[t^ r']{t^*}:[r]" + "" | +"[t^ r']{t^*}:[r]" + "" ->{kt} "[t^ r']:[t^ r]" + "" | +"[t^(c) r']:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) r']:[u^ e']:[u^ i]" + "" | +"[t^(c) r']{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) r']:[u^ e']{u^*}:[i]" + "" | +"[i]{t^*}:[e' u^]" + "" ->{kt} "[i t^]:[e' u^]" + "" | +"{t^(c)*}[e']" + "" ->{(kt * c)} "[t^(c) e']" + "" | +"[t^ e]{t^*}:[e']" + "" ->{kt} "[t^ e]:[t^ e']" + "" | +"[i]:[t^ e']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e' u^]" + "" | +"{t^*}[e' t^]:[e]" + "" <->{kt}{kt} "[t^ e']{t^*}:[e]" + "" | +"[t^ e']{t^*}:[e]" + "" ->{kt} "[t^ e']:[t^ e]" + "" | +"{t^(c)*}[e' u^]:[x' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[x' u^]:[i]" + "" | +"[t^(c) e']:[u^ x']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ x']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[x' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ x']{u^*}:[i]" + "" | +"[i]{t^*}:[x' u^]" + "" ->{kt} "[i t^]:[x' u^]" + "" | +"[t^ x]{t^*}:[x']" + "" ->{kt} "[t^ x]:[t^ x']" + "" | +"[i]:[t^ x']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x' u^]" + "" | +"{t^*}[x' t^]:[x]" + "" <->{kt}{kt} "[t^ x']{t^*}:[x]" + "" | +"[t^ x']{t^*}:[x]" + "" ->{kt} "[t^ x']:[t^ x]" + "" | +"{t^(c)*}[x' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) x']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) x']:[u^ v']:[u^ i]" + "" | +"[t^(c) x']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) x']:[u^ v']{u^*}:[i]" + "" | +"[i]{t^*}:[v' u^]" + "" ->{kt} "[i t^]:[v' u^]" + "" | +"{t^(c)*}[v']" + "" ->{(kt * c)} "[t^(c) v']" + "" | +"[t^ v]{t^*}:[v']" + "" ->{kt} "[t^ v]:[t^ v']" + "" | +"[i]:[t^ v']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v' u^]" + "" | +"{t^*}[v' t^]:[v]" + "" <->{kt}{kt} "[t^ v']{t^*}:[v]" + "" | +"[t^ v']{t^*}:[v]" + "" ->{kt} "[t^ v']:[t^ v]" + "" | +"{t^(c)*}[e' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) e']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ v']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ v']{u^*}:[i]" + "" | +"{t^(c)*}[r' u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r']{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[r' u^]" + "" ->{kt} "[i t^]:[r' u^]" + "" | +"[i]:[t^ r']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r' u^]" + "" | +"[t^(c) y]:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) y]:[u^ e']:[u^ i]" + "" | +"[t^(c) y]{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) y]:[u^ e']{u^*}:[i]" + "" | +"{t^(c)*}[y u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y]{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[y u^]" + "" ->{kt} "[i t^]:[y u^]" + "" | +"[i]:[t^ y]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y u^]" + "" | +"[t^(c) y']:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) y']:[u^ e]:[u^ i]" + "" | +"[t^(c) y']{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) y']:[u^ e]{u^*}:[i]" + "" | +"{t^(c)*}[y' u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y']{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[y' u^]" + "" ->{kt} "[i t^]:[y' u^]" + "" | +"[i]:[t^ y']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y' u^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.dna new file mode 100644 index 0000000..10d8d7d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.dna @@ -0,0 +1,199 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) + +(*------------------ 2Domain DNA Strand Displacement ------------------*) + +directive compilation infinite +new t@kt,unbind +new u@ku,unbind +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' new i + +def Signal((x,x')) = +def Degradation(k,(x,x')) = Cmax/k * {t^(c)*}[x] +def Annihilation((x,x')) = +( Cmax * {t^*}[x t^]:[x'] +| Cmax * {t^*}[x' t^]:[x] +| Cmax * +| Cmax * +) +def Catalysis(k,(x,x'),(y,y')) = +( Cmax*k * {t^(c)*}[x u^]:[y u^]:[i] +| Cmax*k * [i]:[t^ x]{u^*} +| Cmax*k * [i]:[t^ y]{u^*} +| Cmax*k * +| Cmax*k * +| Cmax*k * +) +def Signal'((x,x')) = Signal((x',x)) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) + +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = ( Catalysis2(kI,x,y) ) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) + diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.crn new file mode 100644 index 0000000..0ded096 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.crn @@ -0,0 +1,176 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "{x1^*}[x2 x3^ x1'^]:[x2' x3'^]" Cmax | +init "" Cmax | +init "{x1'^*}[x2' x3'^ x1^]:[x2 x3^]" Cmax | +init "" Cmax | +init "{r1^*}[r2 r3^ r1'^]:[r2' r3'^]" Cmax | +init "" Cmax | +init "{r1'^*}[r2' r3'^ r1^]:[r2 r3^]" Cmax | +init "" Cmax | +init "{v1^*}[v2 v3^ v1'^]:[v2' v3'^]" Cmax | +init "" Cmax | +init "{v1'^*}[v2' v3'^ v1^]:[v2 v3^]" Cmax | +init "" Cmax | +init "{e1^*}[e2 e3^ e1'^]:[e2' e3'^]" Cmax | +init "" Cmax | +init "{e1'^*}[e2' e3'^ e1^]:[e2 e3^]" Cmax | +init "" Cmax | +init "{r1^(c)*}[r2 r3^]" Cmax | +init "{r3^*}[eh e1^]:[rh r1^]" Cmax | +init "{e1^(c)*}[e2 e3^]" Cmax | +init "{e3^*}[xh x1^]:[eh e1^]" Cmax | +init "{e1^(c)*}[e2 e3^]" Cmax | +init "{e3^*}[vh v1^]:[eh e1^]" Cmax | +init "{x1^(c)*}[x2 x3^]" Cmax | +init "{x3^*}[vh v1^]:[xh x1^]" Cmax | +init "{r1'^(c)*}[r2' r3'^]" Cmax | +init "{r3'^*}[eh' e1'^]:[rh' r1'^]" Cmax | +init "{e1'^(c)*}[e2' e3'^]" Cmax | +init "{e3'^*}[xh' x1'^]:[eh' e1'^]" Cmax | +init "{e1'^(c)*}[e2' e3'^]" Cmax | +init "{e3'^*}[vh' v1'^]:[eh' e1'^]" Cmax | +init "{x1'^(c)*}[x2' x3'^]" Cmax | +init "{x3'^*}[vh' v1'^]:[xh' x1'^]" Cmax | +init "{y1^(c)*}[y2 y3^]" Cmax | +init "{y3^*}[eh' e1'^]:[yh y1^]" Cmax | +init "{y1'^(c)*}[y2' y3'^]" Cmax | +init "{y3'^*}[eh e1^]:[yh' y1'^]" Cmax | +init "{e1^(c)*}[e2 e3^]" Cmax | +init "{v1^(c)*}[v2 v3^]" Cmax | +init "{e1'^(c)*}[e2' e3'^]" Cmax | +init "{v1'^(c)*}[v2' v3'^]" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "[r1^ r2 r3^]{r1'^*}:[r2' r3'^]" 0.0 | +init "[r1^(c) r2 r3^]" 0.0 | +init "" 0.0 | +init "[r3^ eh e1^ rh r1^]" 0.0 | +init "" 0.0 | +init "[e1^ e2 e3^]{e1'^*}:[e2' e3'^]" 0.0 | +init "[e1^(c) e2 e3^]" 0.0 | +init "" 0.0 | +init "[e3^ xh x1^ eh e1^]" 0.0 | +init "" 0.0 | +init "[x1^ x2 x3^]{x1'^*}:[x2' x3'^]" 0.0 | +init "[x1^(c) x2 x3^]" 0.0 | +init "" 0.0 | +init "[x3^ vh v1^ xh x1^]" 0.0 | +init "" 0.0 | +init "[v1^ v2 v3^]{v1'^*}:[v2' v3'^]" 0.0 | +init "[v1^(c) v2 v3^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[e3^ vh v1^ eh e1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[r1'^ r2' r3'^]{r1^*}:[r2 r3^]" 0.0 | +init "[r1'^ r2' r3'^]:[r1^ r2 r3^]" 0.0 | +init "" 0.0 | +init "[r1'^(c) r2' r3'^]" 0.0 | +init "" 0.0 | +init "[r3'^ eh' e1'^ rh' r1'^]" 0.0 | +init "" 0.0 | +init "[e1'^ e2' e3'^]{e1^*}:[e2 e3^]" 0.0 | +init "[e1'^ e2' e3'^]:[e1^ e2 e3^]" 0.0 | +init "[e1'^(c) e2' e3'^]" 0.0 | +init "" 0.0 | +init "[e3'^ xh' x1'^ eh' e1'^]" 0.0 | +init "" 0.0 | +init "[x1'^ x2' x3'^]{x1^*}:[x2 x3^]" 0.0 | +init "[x1'^ x2' x3'^]:[x1^ x2 x3^]" 0.0 | +init "" 0.0 | +init "[x1'^(c) x2' x3'^]" 0.0 | +init "" 0.0 | +init "[x3'^ vh' v1'^ xh' x1'^]" 0.0 | +init "" 0.0 | +init "[v1'^ v2' v3'^]{v1^*}:[v2 v3^]" 0.0 | +init "[v1'^ v2' v3'^]:[v1^ v2 v3^]" 0.0 | +init "[v1'^(c) v2' v3'^]" 0.0 | +init "" 0.0 | +init "[v1^ v2 v3^]:[v1'^ v2' v3'^]" 0.0 | +init "[x1^ x2 x3^]:[x1'^ x2' x3'^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[e3'^ vh' v1'^ eh' e1'^]" 0.0 | +init "" 0.0 | +init "[e1^ e2 e3^]:[e1'^ e2' e3'^]" 0.0 | +init "[r1^ r2 r3^]:[r1'^ r2' r3'^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[y1^(c) y2 y3^]" 0.0 | +init "" 0.0 | +init "[y3^ eh' e1'^ yh y1^]" 0.0 | +init "" 0.0 | +init "[y1'^(c) y2' y3'^]" 0.0 | +init "" 0.0 | +init "[y3'^ eh e1^ yh' y1'^]" 0.0 | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"{r1^(c)*}[r2 r3^]" + "" ->{(kt * c)} "[r1^(c) r2 r3^]" + "" | +"{r1^*}[r2 r3^ r1'^]:[r2' r3'^]" + "" <->{kt}{kt} "[r1^ r2 r3^]{r1'^*}:[r2' r3'^]" + "" | +"{r3^*}[eh e1^]:[rh r1^]" + "" ->{kt} "[r3^ eh e1^ rh r1^]" + "" + "" | +"{e1^(c)*}[e2 e3^]" + "" ->{(kt * c)} "[e1^(c) e2 e3^]" + "" | +"{e1^(c)*}[e2 e3^]" + "" ->{(kt * c)} "[e1^(c) e2 e3^]" + "" | +"{e1^(c)*}[e2 e3^]" + "" ->{(kt * c)} "[e1^(c) e2 e3^]" + "" | +"{e1^*}[e2 e3^ e1'^]:[e2' e3'^]" + "" <->{kt}{kt} "[e1^ e2 e3^]{e1'^*}:[e2' e3'^]" + "" | +"{e3^*}[xh x1^]:[eh e1^]" + "" ->{kt} "[e3^ xh x1^ eh e1^]" + "" + "" | +"{x1^(c)*}[x2 x3^]" + "" ->{(kt * c)} "[x1^(c) x2 x3^]" + "" | +"{x1^*}[x2 x3^ x1'^]:[x2' x3'^]" + "" <->{kt}{kt} "[x1^ x2 x3^]{x1'^*}:[x2' x3'^]" + "" | +"{x3^*}[vh v1^]:[xh x1^]" + "" ->{kt} "[x3^ vh v1^ xh x1^]" + "" + "" | +"{v1^(c)*}[v2 v3^]" + "" ->{(kt * c)} "[v1^(c) v2 v3^]" + "" | +"{v1^*}[v2 v3^ v1'^]:[v2' v3'^]" + "" <->{kt}{kt} "[v1^ v2 v3^]{v1'^*}:[v2' v3'^]" + "" | +"{e3^*}[vh v1^]:[eh e1^]" + "" ->{kt} "[e3^ vh v1^ eh e1^]" + "" + "" | +"{r1'^(c)*}[r2' r3'^]" + "" ->{(kt * c)} "[r1'^(c) r2' r3'^]" + "" | +"[r1^ r2 r3^]{r1'^*}:[r2' r3'^]" + "" ->{kt} "[r1^ r2 r3^]:[r1'^ r2' r3'^]" + "" | +"{r1'^*}[r2' r3'^ r1^]:[r2 r3^]" + "" <->{kt}{kt} "[r1'^ r2' r3'^]{r1^*}:[r2 r3^]" + "" | +"[r1'^ r2' r3'^]{r1^*}:[r2 r3^]" + "" ->{kt} "[r1'^ r2' r3'^]:[r1^ r2 r3^]" + "" | +"{r3'^*}[eh' e1'^]:[rh' r1'^]" + "" ->{kt} "[r3'^ eh' e1'^ rh' r1'^]" + "" + "" | +"{e1'^(c)*}[e2' e3'^]" + "" ->{(kt * c)} "[e1'^(c) e2' e3'^]" + "" | +"{e1'^(c)*}[e2' e3'^]" + "" ->{(kt * c)} "[e1'^(c) e2' e3'^]" + "" | +"{e1'^(c)*}[e2' e3'^]" + "" ->{(kt * c)} "[e1'^(c) e2' e3'^]" + "" | +"[e1^ e2 e3^]{e1'^*}:[e2' e3'^]" + "" ->{kt} "[e1^ e2 e3^]:[e1'^ e2' e3'^]" + "" | +"{e1'^*}[e2' e3'^ e1^]:[e2 e3^]" + "" <->{kt}{kt} "[e1'^ e2' e3'^]{e1^*}:[e2 e3^]" + "" | +"[e1'^ e2' e3'^]{e1^*}:[e2 e3^]" + "" ->{kt} "[e1'^ e2' e3'^]:[e1^ e2 e3^]" + "" | +"{e3'^*}[xh' x1'^]:[eh' e1'^]" + "" ->{kt} "[e3'^ xh' x1'^ eh' e1'^]" + "" + "" | +"{x1'^(c)*}[x2' x3'^]" + "" ->{(kt * c)} "[x1'^(c) x2' x3'^]" + "" | +"[x1^ x2 x3^]{x1'^*}:[x2' x3'^]" + "" ->{kt} "[x1^ x2 x3^]:[x1'^ x2' x3'^]" + "" | +"{x1'^*}[x2' x3'^ x1^]:[x2 x3^]" + "" <->{kt}{kt} "[x1'^ x2' x3'^]{x1^*}:[x2 x3^]" + "" | +"[x1'^ x2' x3'^]{x1^*}:[x2 x3^]" + "" ->{kt} "[x1'^ x2' x3'^]:[x1^ x2 x3^]" + "" | +"{x3'^*}[vh' v1'^]:[xh' x1'^]" + "" ->{kt} "[x3'^ vh' v1'^ xh' x1'^]" + "" + "" | +"{v1'^(c)*}[v2' v3'^]" + "" ->{(kt * c)} "[v1'^(c) v2' v3'^]" + "" | +"[v1^ v2 v3^]{v1'^*}:[v2' v3'^]" + "" ->{kt} "[v1^ v2 v3^]:[v1'^ v2' v3'^]" + "" | +"{v1'^*}[v2' v3'^ v1^]:[v2 v3^]" + "" <->{kt}{kt} "[v1'^ v2' v3'^]{v1^*}:[v2 v3^]" + "" | +"[v1'^ v2' v3'^]{v1^*}:[v2 v3^]" + "" ->{kt} "[v1'^ v2' v3'^]:[v1^ v2 v3^]" + "" | +"{e3'^*}[vh' v1'^]:[eh' e1'^]" + "" ->{kt} "[e3'^ vh' v1'^ eh' e1'^]" + "" + "" | +"{y1^(c)*}[y2 y3^]" + "" ->{(kt * c)} "[y1^(c) y2 y3^]" + "" | +"{y3^*}[eh' e1'^]:[yh y1^]" + "" ->{kt} "[y3^ eh' e1'^ yh y1^]" + "" + "" | +"{y1'^(c)*}[y2' y3'^]" + "" ->{(kt * c)} "[y1'^(c) y2' y3'^]" + "" | +"{y3'^*}[eh e1^]:[yh' y1'^]" + "" ->{kt} "[y3'^ eh e1^ yh' y1'^]" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.dna new file mode 100644 index 0000000..0fd1d85 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.dna @@ -0,0 +1,211 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ 4Domain DNA Strand Displacement ------------------*) +(*directive toeholds 0.001 0.1126*) +directive compilation infinite + +dom x1 = {colour = "red"; bind = kt} dom x1' = {colour = "red"; bind = kt} +dom x3 = {colour = "red"; bind = kt} dom x3' = {colour = "red"; bind = kt} +dom r1 = {colour = "purple"; bind = kt} dom r1' = {colour = "purple"; bind = kt} +dom r3 = {colour = "purple"; bind = kt} dom r3' = {colour = "purple"; bind = kt} +dom e1 = {colour = "blue"; bind = kt} dom e1' = {colour = "blue"; bind = kt} +dom e3 = {colour = "blue"; bind = kt} dom e3' = {colour = "blue"; bind = kt} +dom v1 = {colour = "orange"; bind = kt} dom v1' = {colour = "orange"; bind = kt} +dom v3 = {colour = "orange"; bind = kt} dom v3' = {colour = "orange"; bind = kt} +dom y1 = {colour = "green"; bind = kt} dom y1' = {colour = "green"; bind = kt} +dom y3 = {colour = "green"; bind = kt} dom y3' = {colour = "green"; bind = kt} +dom load = {colour = "black"; bind = kt} dom load' = {colour = "black"; bind = kt} +dom load = {colour = "black"; bind = kt} dom load' = {colour = "black"; bind = kt} +dom t = {colour = "magenta"; bind = kt; unbind = unbind} + +new xh new x2 new xh' new x2' new vh new v2 new vh' new v2' new yh new y2 new yh' new y2' +new rh new r2 new rh' new r2' new eh new e2 new eh' new e2' + +def Signal0((xh,x1,x2,x3),x') = +def Degradation0(k,(xh,x1,x2,x3),x') = Cmax/k * {x1^(c)*}[x2 x3^] +def Annihilation0((xh,x1,x2,x3),(xh',x1',x2',x3')) = +( Cmax * {x1^*}[x2 x3^ x1'^]:[x2' x3'^] +| Cmax * +| Cmax * {x1'^*}[x2' x3'^ x1^]:[x2 x3^] +| Cmax * +) +def Catalysis0(k,(xh,x1,x2,x3),x',(yh,y1,y2,y3),y') = +( Cmax*k * {x1^(c)*}[x2 x3^] +| Cmax*k * {x3^*}[yh y1^]:[xh x1^] +) +def Signal((x,x')) = Signal0(x,x') +def Degradation(k,(x,x')) = Degradation0(k,x,x') +def Catalysis(k,(x,x'),(y,y')) = Catalysis0(k,x,x',y,y') +def Annihilation((x,x')) = Annihilation0(x,x') + +def Signal'((x,x')) = Signal((x',x)) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) + +def x = ((xh,x1,x2,x3),(xh',x1',x2',x3')) +def y = ((yh,y1,y2,y3),(yh',y1',y2',y3')) +def v = ((vh,v1,v2,v3),(vh',v1',v2',v3')) +def e = ((eh,e1,e2,e3),(eh',e1',e2',e3')) +def r = ((rh,r1,r2,r3),(rh',r1',r2',r3')) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.crn new file mode 100644 index 0000000..fbc59b9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.crn @@ -0,0 +1,60 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{deg} | +"" ->{deg} | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{deg} | +"" ->{deg} | +"" + "" ->{ann} | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} | +"" + "" ->{ann} | +"" + "" ->{ann} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.dna new file mode 100644 index 0000000..bbcb6fd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.dna @@ -0,0 +1,204 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ CRN ------------------*) + +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' +def Signal((x,x')) = +def Signal'((x,x')) = Signal((x',x)) +def Degradation(k,x) = (rxn Signal(x) ->{deg/k}) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis(k,x,y) = rxn Signal(x) ->{cat*k} Signal(x) + Signal(y) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) +def Annihilation(x) = (rxn Signal(x) + Signal'(x) ->{ann}) +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') + +(*--------- CRN [Catalytic Degradation] ----------*) +(* +directive sweep s1 = {ann = [0.1,0.01,0.001,0.0001]} +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' +def Signal((x,x')) = +def Signal'((x,x')) = Signal((x',x)) +def DegradationIdeal(k,x) = rxn Signal(x) ->{deg/k} +def Degradation(k,x) = + ( rxn Signal(x) ->{deg/k} Signal(x) + Signal'(x) + | rxn Signal(x) + Signal'(x) ->{ann}) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis(k,x,y) = rxn Signal(x) ->{cat*k} Signal(x) + Signal(y) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) +def Annihilation(x) = rxn Signal(x) + Signal'(x) ->{ann} +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') +*) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.crn new file mode 100644 index 0000000..3720fac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.crn @@ -0,0 +1,178 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "[x1^ x2^]" 0.0 | +init "[r1^ r2^]" 0.0 | +init "[v1^ v2^]" 0.0 | +init "[e1^ e2^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "[r2^]:[e1^ e2^]" 0.0 | +init "{r2^*}[e1^ e2^]" Cmax | +init "[e2^]:[x1^ x2^]" 0.0 | +init "{e2^*}[x1^ x2^]" Cmax | +init "" 0.0 | +init "[e2^]:[v1^ v2^]" 0.0 | +init "{e2^*}[v1^ v2^]" Cmax | +init "[x2^]:[v1^ v2^]" 0.0 | +init "{x2^*}[v1^ v2^]" Cmax | +init "" 0.0 | +init "[r2^ e1^ e2^]" 0.0 | +init "[r1^ r2^]::{r2^*}[e1^ e2^]" 0.0 | +init "[e2^ x1^ x2^]" 0.0 | +init "[e2^ v1^ v2^]" 0.0 | +init "[x2^ v1^ v2^]" 0.0 | +init "[y2^ e2^* e1^*]" 0.0 | +init "[e2^ e2^* e1^*]" 0.0 | +init "[v2^ v2^* v1^*]" 0.0 | +init "[y2^]:[e2^* e1^*]" 0.0 | +init "{y2^*}[e2^* e1^*]" Cmax | +init "" 0.0 | +init "[e2^]:[e2^* e1^*]" 0.0 | +init "{e2^*}[e2^* e1^*]" Cmax | +init "[v2^]:[v2^* v1^*]" 0.0 | +init "{v2^*}[v2^* v1^*]" Cmax | +init "" 0.0 | +init "{r1^}[e2^* e1^*]" Cmax | +init "[r1^*]:[e2^* e1^*]" 0.0 | +init "{e1^}[x2^* x1^*]" Cmax | +init "{e1^}[v2^* v1^*]" Cmax | +init "{x1^}[v2^* v1^*]" Cmax | +init "{y1^}[e1^ e2^]" Cmax | +init "{e1^}[e1^ e2^]" Cmax | +init "{v1^}[v1^ v2^]" Cmax | +init "" 0.0 | +init "[v1^ v2^]::{v2^*}[v2^* v1^*]" 0.0 | +init "[v1^*]:[v1^ v2^]" 0.0 | +init "" 0.0 | +init "[y1^ y2^]::{y2^*}[e2^* e1^*]" 0.0 | +init "[y2^* y1^*]" 0.0 | +init "[y1^*]:[e1^ e2^]" 0.0 | +init "[v1^* v1^ v2^]" 0.0 | +init "[v2^* v1^*]::{v1^}[v1^ v2^]" 0.0 | +init "[x1^* v2^* v1^*]" 0.0 | +init "[x2^* x1^*]::{x1^}[v2^* v1^*]" 0.0 | +init "[x1^*]:[v2^* v1^*]" 0.0 | +init "" 0.0 | +init "[x1^ x2^]::{x2^*}[v1^ v2^]" 0.0 | +init "[e1^* v2^* v1^*]" 0.0 | +init "[e2^* e1^*]::{e1^}[v2^* v1^*]" 0.0 | +init "[e1^*]:[v2^* v1^*]" 0.0 | +init "" 0.0 | +init "[e1^ e2^]::{e2^*}[x1^ x2^]" 0.0 | +init "[e1^ e2^]::{e2^*}[v1^ v2^]" 0.0 | +init "[e1^ e2^]::{e2^*}[e2^* e1^*]" 0.0 | +init "[e1^*]:[x2^* x1^*]" 0.0 | +init "[e1^*]:[e1^ e2^]" 0.0 | +init "[e1^* x2^* x1^*]" 0.0 | +init "[e2^* e1^*]::{e1^}[x2^* x1^*]" 0.0 | +init "[e1^* e1^ e2^]" 0.0 | +init "[e2^* e1^*]::{e1^}[e1^ e2^]" 0.0 | +init "[y1^* e1^ e2^]" 0.0 | +init "[y2^* y1^*]::{y1^}[e1^ e2^]" 0.0 | +init "[r1^* e2^* e1^*]" 0.0 | +init "[r2^* r1^*]::{r1^}[e2^* e1^*]" 0.0 | +"[r2^]:[e1^ e2^]" ->{pol} "[r2^ e1^ e2^]" + "" | +"[r2^ e1^ e2^]" ->{nick} "[r2^]:[e1^ e2^]" | +"[r1^*]:[e2^* e1^*]" ->{pol} "[r1^* e2^* e1^*]" + "" | +"[r1^* e2^* e1^*]" ->{nick} "[r1^*]:[e2^* e1^*]" | +"[y2^]:[e2^* e1^*]" ->{pol} "[y2^ e2^* e1^*]" + "" | +"[y2^ e2^* e1^*]" ->{nick} "[y2^]:[e2^* e1^*]" | +"[y1^*]:[e1^ e2^]" ->{pol} "[y1^* e1^ e2^]" + "" | +"[y1^* e1^ e2^]" ->{nick} "[y1^*]:[e1^ e2^]" | +"[e2^]:[e2^* e1^*]" ->{pol} "[e2^ e2^* e1^*]" + "" | +"[e2^ e2^* e1^*]" ->{nick} "[e2^]:[e2^* e1^*]" | +"[e1^*]:[e1^ e2^]" ->{pol} "[e1^* e1^ e2^]" + "" | +"[e1^* e1^ e2^]" ->{nick} "[e1^*]:[e1^ e2^]" | +"[e2^]:[x1^ x2^]" ->{pol} "[e2^ x1^ x2^]" + "" | +"[e2^ x1^ x2^]" ->{nick} "[e2^]:[x1^ x2^]" | +"[e1^*]:[x2^* x1^*]" ->{pol} "[e1^* x2^* x1^*]" + "" | +"[e1^* x2^* x1^*]" ->{nick} "[e1^*]:[x2^* x1^*]" | +"[e2^]:[v1^ v2^]" ->{pol} "[e2^ v1^ v2^]" + "" | +"[e2^ v1^ v2^]" ->{nick} "[e2^]:[v1^ v2^]" | +"[e1^*]:[v2^* v1^*]" ->{pol} "[e1^* v2^* v1^*]" + "" | +"[e1^* v2^* v1^*]" ->{nick} "[e1^*]:[v2^* v1^*]" | +"[x2^]:[v1^ v2^]" ->{pol} "[x2^ v1^ v2^]" + "" | +"[x2^ v1^ v2^]" ->{nick} "[x2^]:[v1^ v2^]" | +"[x1^*]:[v2^* v1^*]" ->{pol} "[x1^* v2^* v1^*]" + "" | +"[x1^* v2^* v1^*]" ->{nick} "[x1^*]:[v2^* v1^*]" | +"[v2^]:[v2^* v1^*]" ->{pol} "[v2^ v2^* v1^*]" + "" | +"[v2^ v2^* v1^*]" ->{nick} "[v2^]:[v2^* v1^*]" | +"[v1^*]:[v1^ v2^]" ->{pol} "[v1^* v1^ v2^]" + "" | +"[v1^* v1^ v2^]" ->{nick} "[v1^*]:[v1^ v2^]" | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} "[r1^ r2^]" | +"[r2^]:[e1^ e2^]" + "" ->{bind} "[r1^ r2^]" + "{r2^*}[e1^ e2^]" | +"[r2^]:[e1^ e2^]" <->{unbind}{bind} "{r2^*}[e1^ e2^]" + "" | +"[e2^]:[x1^ x2^]" <->{unbind}{bind} "{e2^*}[x1^ x2^]" + "" | +"[e2^]:[v1^ v2^]" <->{unbind}{bind} "{e2^*}[v1^ v2^]" + "" | +"[x2^]:[v1^ v2^]" <->{unbind}{bind} "{x2^*}[v1^ v2^]" + "" | +"[r2^ e1^ e2^]" + "" <->{bind}{unbind} "[r1^ r2^]::{r2^*}[e1^ e2^]" | +"[y2^]:[e2^* e1^*]" <->{unbind}{bind} "{y2^*}[e2^* e1^*]" + "" | +"[e2^]:[e2^* e1^*]" <->{unbind}{bind} "{e2^*}[e2^* e1^*]" + "" | +"[v2^]:[v2^* v1^*]" <->{unbind}{bind} "{v2^*}[v2^* v1^*]" + "" | +"{r1^}[e2^* e1^*]" + "" <->{bind}{unbind} "[r1^*]:[e2^* e1^*]" | +"[r1^*]:[e2^* e1^*]" + "" ->{bind} "[r1^ r2^]" + "{r1^}[e2^* e1^*]" | +"[v2^]:[v2^* v1^*]" + "" ->{bind} "[v1^ v2^]" + "{v2^*}[v2^* v1^*]" | +"" + "" ->{ann} "[v1^ v2^]" | +"[v2^ v2^* v1^*]" + "" <->{bind}{unbind} "[v1^ v2^]::{v2^*}[v2^* v1^*]" | +"{v1^}[v1^ v2^]" + "" <->{bind}{unbind} "[v1^*]:[v1^ v2^]" | +"[v1^*]:[v1^ v2^]" + "" ->{bind} "[v1^ v2^]" + "{v1^}[v1^ v2^]" | +"[y2^]:[e2^* e1^*]" + "" ->{bind} "[y2^* y1^*]" + "{y2^*}[e2^* e1^*]" | +"" + "" ->{ann} "[y2^* y1^*]" | +"[y2^ e2^* e1^*]" + "" <->{bind}{unbind} "[y1^ y2^]::{y2^*}[e2^* e1^*]" | +"{y1^}[e1^ e2^]" + "" <->{bind}{unbind} "[y1^*]:[e1^ e2^]" | +"[y1^*]:[e1^ e2^]" + "" ->{bind} "[y2^* y1^*]" + "{y1^}[e1^ e2^]" | +"[v1^* v1^ v2^]" + "" <->{bind}{unbind} "[v2^* v1^*]::{v1^}[v1^ v2^]" | +"[x1^* v2^* v1^*]" + "" <->{bind}{unbind} "[x2^* x1^*]::{x1^}[v2^* v1^*]" | +"[x1^*]:[v2^* v1^*]" + "" ->{bind} "[x1^ x2^]" + "{x1^}[v2^* v1^*]" | +"[x2^]:[v1^ v2^]" + "" ->{bind} "[x1^ x2^]" + "{x2^*}[v1^ v2^]" | +"[x1^*]:[v2^* v1^*]" <->{unbind}{bind} "{x1^}[v2^* v1^*]" + "" | +"" + "" ->{ann} "[x1^ x2^]" | +"[x2^ v1^ v2^]" + "" <->{bind}{unbind} "[x1^ x2^]::{x2^*}[v1^ v2^]" | +"[e1^* v2^* v1^*]" + "" <->{bind}{unbind} "[e2^* e1^*]::{e1^}[v2^* v1^*]" | +"[e1^*]:[v2^* v1^*]" + "" ->{bind} "[e1^ e2^]" + "{e1^}[v2^* v1^*]" | +"[e2^]:[x1^ x2^]" + "" ->{bind} "[e1^ e2^]" + "{e2^*}[x1^ x2^]" | +"[e2^]:[v1^ v2^]" + "" ->{bind} "[e1^ e2^]" + "{e2^*}[v1^ v2^]" | +"[e2^]:[e2^* e1^*]" + "" ->{bind} "[e1^ e2^]" + "{e2^*}[e2^* e1^*]" | +"[e1^*]:[v2^* v1^*]" <->{unbind}{bind} "{e1^}[v2^* v1^*]" + "" | +"" + "" ->{ann} "[e1^ e2^]" | +"[e2^ x1^ x2^]" + "" <->{bind}{unbind} "[e1^ e2^]::{e2^*}[x1^ x2^]" | +"[e2^ v1^ v2^]" + "" <->{bind}{unbind} "[e1^ e2^]::{e2^*}[v1^ v2^]" | +"[e2^ e2^* e1^*]" + "" <->{bind}{unbind} "[e1^ e2^]::{e2^*}[e2^* e1^*]" | +"{e1^}[x2^* x1^*]" + "" <->{bind}{unbind} "[e1^*]:[x2^* x1^*]" | +"[e1^*]:[x2^* x1^*]" + "" ->{bind} "[e1^ e2^]" + "{e1^}[x2^* x1^*]" | +"{e1^}[e1^ e2^]" + "" <->{bind}{unbind} "[e1^*]:[e1^ e2^]" | +"[e1^*]:[e1^ e2^]" + "" ->{bind} "[e1^ e2^]" + "{e1^}[e1^ e2^]" | +"[e1^* x2^* x1^*]" + "" <->{bind}{unbind} "[e2^* e1^*]::{e1^}[x2^* x1^*]" | +"[e1^* e1^ e2^]" + "" <->{bind}{unbind} "[e2^* e1^*]::{e1^}[e1^ e2^]" | +"[y1^* e1^ e2^]" + "" <->{bind}{unbind} "[y2^* y1^*]::{y1^}[e1^ e2^]" | +"[r1^* e2^* e1^*]" + "" <->{bind}{unbind} "[r2^* r1^*]::{r1^}[e2^* e1^*]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.dna new file mode 100644 index 0000000..4864a54 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.dna @@ -0,0 +1,232 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ DNA Enzymes ------------------*) + +directive compilation default +directive unproductive + +dom x1 = {colour = "red"; bind = bind; unbind = unbind} +dom x2 = {colour = "red"; bind = bind; unbind = unbind} +dom r1 = {colour = "purple"; bind = bind; unbind = unbind} +dom r2 = {colour = "purple"; bind = bind; unbind = unbind} +dom e1 = {colour = "blue"; bind = bind; unbind = unbind} +dom e2 = {colour = "blue"; bind = bind; unbind = unbind} +dom v1 = {colour = "orange"; bind = bind; unbind = unbind} +dom v2 = {colour = "orange"; bind = bind; unbind = unbind} +dom y1 = {colour = "green"; bind = bind; unbind = unbind} +dom y2 = {colour = "green"; bind = bind; unbind = unbind} +dom load = {colour = "black"} +dom load' = {colour = "black"} +dom dx = {bind = ann; subdomains = [x1;x2]} +dom dr = {bind = ann; subdomains = [r1;r2]} +dom de = {bind = ann; subdomains = [e1;e2]} +dom dv = {bind = ann; subdomains = [v1;v2]} +dom dy = {bind = ann; subdomains = [y1;y2]} + +def Signal((x1,x2)) = +def Signal'((x1,x2)) = +def Template((x1,x2),(y1,y2)) = [x2^]:[y1^ y2^] +def Template'((x1,x2),(y1,y2)) = [x1^*]:[y2^* y1^*] +def TemplateOff((x1,x2),(y1,y2)) = {x2^*}[y1^ y2^] +def TemplateOff'((x1,x2),(y1,y2)) = {x1^}[y2^* y1^*] +def TemplateDS((x1,x2),(y1,y2)) = [x2^ y1^ y2^] +def TemplateDS'((x1,x2),(y1,y2)) = [x1^* y2^* y1^*] +def TemplateOffInv((x1,x2),(y1,y2)) = {x2^*}[y2^* y1^*] +def TemplateOffInv'((x1,x2),(y1,y2)) = {x1^}[y1^ y2^] +def TemplateInv((x1,x2),(y1,y2)) = [x2^]:[y2^* y1^*] +def TemplateInv'((x1,x2),(y1,y2)) = [x1^*]:[y1^ y2^] +def TemplateDSInv((x1,x2),(y1,y2)) = [x2^ y2^* y1^*] +def TemplateDSInv'((x1,x2),(y1,y2)) = [x1^* y1^ y2^] +def Ann((x1,x2)) = [x1^ x2^] + +def r = (r1,r2) +def e = (e1,e2) +def v = (v1,v2) +def y = (y1,y2) +def x = (x1,x2) + +def Catalysis(k,x,y) = +( Cmax*k * TemplateOff(x,y) +| rxn Template(x,y) ->{pol} TemplateDS(x,y) + Signal(y) +| rxn TemplateDS(x,y) ->{nick} Template(x,y) +| 0 * Template(x,y) | 0 * TemplateDS(x,y) +) +def Catalysis'(k,x,y) = +( Cmax*k * TemplateOff'(x,y) +| rxn Template'(x,y) ->{pol} TemplateDS'(x,y) + Signal'(y) +| rxn TemplateDS'(x,y) ->{nick} Template'(x,y) +) +def CatalysisInv(k,x,y) = +( Cmax*k * TemplateOffInv(x,y) +| rxn TemplateInv(x,y) ->{pol} TemplateDSInv(x,y) + Signal'(y) +| rxn TemplateDSInv(x,y) ->{nick} TemplateInv(x,y) +| 0 * TemplateInv(x,y) | 0 * TemplateDSInv(x,y) +) +def CatalysisInv'(k,x,y) = +( Cmax*k * TemplateOffInv'(x,y) +| rxn TemplateInv'(x,y) ->{pol} TemplateDSInv'(x,y) + Signal(y) +| rxn TemplateDSInv'(x,y) ->{nick} TemplateInv'(x,y) +) +def Annihilation(x) = 0*Ann(x) +def Degradation(k,x) = CatalysisInv(1.0/k,x,x) +def Degradation'(k,x) = CatalysisInv'(1.0/k,x,x) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.crn new file mode 100644 index 0000000..d74759b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.crn @@ -0,0 +1,136 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "{xh}[x1^ x2^]{xs'}" 0.0 | +init "{rh}[r1^ r2^]{rs'}" 0.0 | +init "{vh}[v1^ v2^]{vs'}" 0.0 | +init "{eh}[e1^ e2^]{es'}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "" Cmax | +init "" Cmax | +init "" (2.0 * Cmax) | +init "" Cmax | +init "" Cmax | +init "" Cmax | +init "" (2.0 * Cmax) | +init "" Cmax | +init "[rs* t^*]::[prom es e1^ e2^ eh]" 0.0 | +init "[u^* rs*]::[prom es e1^ e2^ eh]" Cmax | +init "[es* t^*]::[prom xs x1^ x2^ xh]" 0.0 | +init "[u^* es*]::[prom xs x1^ x2^ xh]" Cmax | +init "[es* t^*]::[prom vs v1^ v2^ vh]" 0.0 | +init "[u^* es*]::[prom vs v1^ v2^ vh]" Cmax | +init "[xs* t^*]::[prom vs v1^ v2^ vh]" 0.0 | +init "[u^* xs*]::[prom vs v1^ v2^ vh]" Cmax | +init "[u^* rs'*]::[prom es' e2^* e1^* eh]" Cmax | +init "[u^* es'*]::[prom xs' x2^* x1^* xh]" Cmax | +init "[u^* es'*]::[prom vs' v2^* v1^* vh]" Cmax | +init "[u^* xs'*]::[prom vs' v2^* v1^* vh]" Cmax | +init "[u^* ys*]::[prom es' e2^* e1^* eh]" Cmax | +init "[u^* ys'*]::[prom es e1^ e2^ eh]" Cmax | +init "[t^ rs]{r1^*}" Cmax | +init "{t^*}[rs r1^]" Cmax | +init "[t^ ys]{y1^*}" Cmax | +init "[t^ es]{e1^*}" (2.0 * Cmax) | +init "[t^ xs]{x1^*}" Cmax | +init "[t^ rs']{r2^}" Cmax | +init "{t^*}[rs' r2^*]" Cmax | +init "{rs' t^}" 0.0 | +init "[rs'* t^*]::[prom es' e2^* e1^* eh]" 0.0 | +init "[t^ ys']{y2^}" Cmax | +init "[t^ es']{e2^}" (2.0 * Cmax) | +init "[t^ xs']{x2^}" Cmax | +init "{t^*}[ys y1^]" Cmax | +init "{t^*}[es e1^]" (2.0 * Cmax) | +init "" 0.0 | +init "{t^*}[xs x1^]" Cmax | +init "" 0.0 | +init "{t^*}[ys' y2^*]" Cmax | +init "{t^*}[es' e2^*]" (2.0 * Cmax) | +init "{t^*}[xs' x2^*]" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{ys t^}" 0.0 | +init "[ys* t^*]::[prom es' e2^* e1^* eh]" 0.0 | +init "" 0.0 | +init "{ys' t^}" 0.0 | +init "[ys'* t^*]::[prom es e1^ e2^ eh]" 0.0 | +init "{yh}[y2^* y1^*]{ys}" 0.0 | +init "[xs'* t^*]::[prom vs' v2^* v1^* vh]" 0.0 | +init "{xs' t^}" 0.0 | +init "" 0.0 | +init "[es'* t^*]::[prom vs' v2^* v1^* vh]" 0.0 | +init "{es' t^}" 0.0 | +init "[es'* t^*]::[prom xs' x2^* x1^* xh]" 0.0 | +init "" 0.0 | +"[rs* t^*]::[prom es e1^ e2^ eh]" ->{pol} "[rs* t^*]::[prom es e1^ e2^ eh]" + "" | +"[rs'* t^*]::[prom es' e2^* e1^* eh]" ->{pol} "[rs'* t^*]::[prom es' e2^* e1^* eh]" + "" | +"[ys* t^*]::[prom es' e2^* e1^* eh]" ->{pol} "[ys* t^*]::[prom es' e2^* e1^* eh]" + "" | +"[ys'* t^*]::[prom es e1^ e2^ eh]" ->{pol} "[ys'* t^*]::[prom es e1^ e2^ eh]" + "" | +"" ->{deg} | +"" ->{deg} | +"[es* t^*]::[prom xs x1^ x2^ xh]" ->{pol} "[es* t^*]::[prom xs x1^ x2^ xh]" + "" | +"[es'* t^*]::[prom xs' x2^* x1^* xh]" ->{pol} "[es'* t^*]::[prom xs' x2^* x1^* xh]" + "" | +"[es* t^*]::[prom vs v1^ v2^ vh]" ->{pol} "[es* t^*]::[prom vs v1^ v2^ vh]" + "" | +"[es'* t^*]::[prom vs' v2^* v1^* vh]" ->{pol} "[es'* t^*]::[prom vs' v2^* v1^* vh]" + "" | +"[xs* t^*]::[prom vs v1^ v2^ vh]" ->{pol} "[xs* t^*]::[prom vs v1^ v2^ vh]" + "" | +"[xs'* t^*]::[prom vs' v2^* v1^* vh]" ->{pol} "[xs'* t^*]::[prom vs' v2^* v1^* vh]" + "" | +"" ->{deg} | +"" ->{deg} | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} "{rh}[r1^ r2^]{rs'}" | +"[rs* t^*]::[prom es e1^ e2^ eh]" + "" <->{bind2}{bind2} "[u^* rs*]::[prom es e1^ e2^ eh]" + "" | +"[es* t^*]::[prom xs x1^ x2^ xh]" + "" <->{bind2}{bind2} "[u^* es*]::[prom xs x1^ x2^ xh]" + "" | +"[es* t^*]::[prom vs v1^ v2^ vh]" + "" <->{bind2}{bind2} "[u^* es*]::[prom vs v1^ v2^ vh]" + "" | +"[xs* t^*]::[prom vs v1^ v2^ vh]" + "" <->{bind2}{bind2} "[u^* xs*]::[prom vs v1^ v2^ vh]" + "" | +"[t^ rs]{r1^*}" + "" <->{bind1}{bind2} "{t^*}[rs r1^]" + "" | +"[t^ rs']{r2^}" + "" <->{bind1}{bind2} "{t^*}[rs' r2^*]" + "{rs' t^}" | +"[u^* rs'*]::[prom es' e2^* e1^* eh]" + "{rs' t^}" <->{bind2}{bind2} "[rs'* t^*]::[prom es' e2^* e1^* eh]" + "" | +"{t^*}[es e1^]" + "" <->{bind2}{bind1} "[t^ es]{e1^*}" + "" | +"{t^*}[xs x1^]" + "" <->{bind2}{bind1} "[t^ xs]{x1^*}" + "" | +"" + "" ->{ann} "{vh}[v1^ v2^]{vs'}" | +"[t^ ys]{y1^*}" + "" <->{bind1}{bind2} "{t^*}[ys y1^]" + "{ys t^}" | +"[u^* ys*]::[prom es' e2^* e1^* eh]" + "{ys t^}" <->{bind2}{bind2} "[ys* t^*]::[prom es' e2^* e1^* eh]" + "" | +"" + "" ->{ann} "{yh}[y2^* y1^*]{ys}" | +"[t^ ys']{y2^}" + "" <->{bind1}{bind2} "{t^*}[ys' y2^*]" + "{ys' t^}" | +"[u^* ys'*]::[prom es e1^ e2^ eh]" + "{ys' t^}" <->{bind2}{bind2} "[ys'* t^*]::[prom es e1^ e2^ eh]" + "" | +"[xs'* t^*]::[prom vs' v2^* v1^* vh]" + "" <->{bind2}{bind2} "[u^* xs'*]::[prom vs' v2^* v1^* vh]" + "{xs' t^}" | +"{t^*}[xs' x2^*]" + "{xs' t^}" <->{bind2}{bind1} "[t^ xs']{x2^}" + "" | +"" + "" ->{ann} "{xh}[x1^ x2^]{xs'}" | +"[es'* t^*]::[prom vs' v2^* v1^* vh]" + "" <->{bind2}{bind2} "[u^* es'*]::[prom vs' v2^* v1^* vh]" + "{es' t^}" | +"[u^* es'*]::[prom xs' x2^* x1^* xh]" + "{es' t^}" <->{bind2}{bind2} "[es'* t^*]::[prom xs' x2^* x1^* xh]" + "" | +"{t^*}[es' e2^*]" + "{es' t^}" <->{bind2}{bind1} "[t^ es']{e2^}" + "" | +"" + "" ->{ann} "{eh}[e1^ e2^]{es'}" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.dna new file mode 100644 index 0000000..ab01d33 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.dna @@ -0,0 +1,250 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ RNA Enzymes ------------------*) + +directive compilation infinite +def kbind = bind1 +dom x1 = {colour = "red"; bind = kbind; unbind = unbind} +dom x2 = {colour = "red"; bind = kbind; unbind = unbind} +dom r1 = {colour = "purple"; bind = kbind; unbind = unbind} +dom r2 = {colour = "purple"; bind = kbind; unbind = unbind} +dom e1 = {colour = "blue"; bind = kbind; unbind = unbind} +dom e2 = {colour = "blue"; bind = kbind; unbind = unbind} +dom v1 = {colour = "orange"; bind = kbind; unbind = unbind} +dom v2 = {colour = "orange"; bind = kbind; unbind = unbind} +dom y1 = {colour = "green"; bind = kbind; unbind = unbind} +dom y2 = {colour = "green"; bind = kbind; unbind = unbind} +dom t = {colour = "cyan"; bind = bind2; unbind = unbind} +dom u = {colour = "magenta"; bind = bind2; unbind = unbind} +dom rh = {colour = "brown"} +dom eh = {colour = "brown"} +dom vh = {colour = "brown"} +dom xh = {colour = "brown"} +dom yh = {colour = "brown"} +dom dx = {bind = ann; subdomains = [x1;x2]} +dom dr = {bind = ann; subdomains = [r1;r2]} +dom de = {bind = ann; subdomains = [e1;e2]} +dom dv = {bind = ann; subdomains = [v1;v2]} +dom dy = {bind = ann; subdomains = [y1;y2]} + +new rs new rs' new es new es' new vs new vs' +new xs new xs' new ys new ys' new load new load' new prom + +def Signal((x1,x2,xs,xs',xh)) = +def Signal'((x1,x2,xs,xs',xh)) = +def Template((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs* t^*]::[prom ys y1^ y2^ yh] +def Template'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs'* t^*]::[prom ys' y2^* y1^* yh] +def TemplateOff((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs*]::[prom ys y1^ y2^ yh] +def TemplateOff'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs'*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs'*]::[prom ys y1^ y2^ yh] +def TemplateInv((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs* t^*]::[prom ys' y2^* y1^* yh] +def TemplateInv'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs'* t^*]::[prom ys y1^ y2^ yh] +def Transducer((x1,x2,xs,xs',xh)) = [t^ xs]{x1^*} +def Transducer'((x1,x2,xs,xs',xh)) = [t^ xs']{x2^} +def TransducerRev((x1,x2,xs,xs',xh)) = {t^*}[xs x1^] +def TransducerRev'((x1,x2,xs,xs',xh)) = {t^*}[xs' x2^*] +def Rev((x1,x2,xs,xs',xh)) = +def Rev'((x1,x2,xs,xs',xh)) = +def Fwd(t,(x1,x2,xs,xs',xh)) = +def Fwd'(t,(x1,x2,xs,xs',xh)) = +def Ann((x1,x2,xs,xs',xh)) = {xh}[x1^ x2^]{xs'} + +def r = (r1,r2,rs,rs',rh) +def e = (e1,e2,es,es',eh) +def v = (v1,v2,vs,vs',vh) +def y = (y1,y2,ys,ys',yh) +def x = (x1,x2,xs,xs',xh) + +def Catalysis(k,x,y) = +( Cmax*k * TemplateOff(x,y) +| Cmax*k * Transducer(x) +| Cmax*k * TransducerRev(x) +| Cmax*k * Rev(x) +| rxn Template(x,y) ->{pol} Template(x,y) + Signal(y) +| 0 * Template(x,y) | 0* Fwd(t,x) +) +def Catalysis'(k,x,y) = +( Cmax*k * TemplateOff'(x,y) +| Cmax*k * Transducer'(x) +| Cmax*k * TransducerRev'(x) +| Cmax*k * Rev'(x) +| rxn Template'(x,y) ->{pol} Template'(x,y) + Signal'(y) +) +def CatalysisInv(k,x,y) = +( Cmax*k * TemplateOffInv(x,y) +| Cmax*k * Transducer(x) +| Cmax*k * TransducerRev(x) +| Cmax*k * Rev(x) +| rxn TemplateInv(x,y) ->{pol} TemplateInv(x,y) + Signal'(y) +) +def CatalysisInv'(k,x,y) = +( Cmax*k * TemplateOffInv'(x,y) +| Cmax*k * Transducer'(x) +| Cmax*k * TransducerRev'(x) +| Cmax*k * Rev'(x) +| rxn TemplateInv'(x,y) ->{pol} TemplateInv'(x,y) + Signal(y) +) +def Degradation(k,x) = (rxn Signal(x) ->{deg/k}) +def Degradation'(k,x) = (rxn Signal'(x) ->{deg/k}) +def Annihilation(x) = 0*Ann(x) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = ( Catalysis2(kI,x,y) ) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - 3-Stator Transmission Line.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - 3-Stator Transmission Line.crn new file mode 100644 index 0000000..5de3e85 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - 3-Stator Transmission Line.crn @@ -0,0 +1,43 @@ +directive sample 0.0,40000.0 1000 +directive plot ""; "[s*]{x^>"; "[s*]{F^}"; "{s F^}" +directive simulation deterministicstiff + +init "[s*]{x^>" 2.0 | +init "" 1.0 | +init "[[ {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 1.0 | +init "[[ {tether(a)}[a0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" 0.0 | +init "[s*]{F^}" 1.0 | +init "{s F^}" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]:[r^* s*] ]]" 0.0 | +"[[ {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" + "" ->{0.0003} "[[ {tether(a)}[a0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[a0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" ->{30.0} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" ->{30.0} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" + "[s*]{F^}" ->{0.0003} "{s F^}" + "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]:[r^* s*] ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - 3-Stator Transmission Line.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - 3-Stator Transmission Line.dna new file mode 100644 index 0000000..32d1dc2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - 3-Stator Transmission Line.dna @@ -0,0 +1,28 @@ +(* 3-stator transmission line *) +directive sample 40000.0 1000 +directive simulation deterministicstiff +directive polymers +directive localconcentrations [ (a, 100000); (b, 100000) ] +directive plot input(); fuel(); probe(); reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom r = { colour = "purple" } +dom Q = { colour = "black" } +dom F = { colour = "black" } + +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami() = [[ {tether(a) a0^*}[s]{y^> + | {tether(a,b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]] +def reporter() = {s F^} + +( input() +| 2 * fuel() +| probe() +| origami() +| 0 * reporter() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Communicating Transmission Lines.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Communicating Transmission Lines.crn new file mode 100644 index 0000000..51529ba --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Communicating Transmission Lines.crn @@ -0,0 +1,77 @@ +directive sample 0.0,40000.0 1000 +directive plot ""; "[s*]{x^>"; "[s*]{F^}"; "{s F^}" +directive simulation deterministicstiff + +init "[s*]{x^>" 4.0 | +init "" 1.0 | +init "[[ {tether(b) x^*}[s] + | {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> ]]" 1.0 | +init "[[ {tether(a)}[a0^ s]{y^ s} + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s] ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s] ]]" 0.0 | +init "" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s] ]]" 0.0 | +init "[[ {tether(a) b0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 1.0 | +init "[[ {tether(a)}[b0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" 0.0 | +init "[s*]{F^}" 1.0 | +init "{s F^}" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]:[r^* s*] ]]" 0.0 | +"[[ {tether(b) x^*}[s] + | {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> ]]" + "" ->{0.0003} "[[ {tether(a)}[a0^ s]{y^ s} + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" | +"[[ {tether(a)}[a0^ s]{y^ s} + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" ->{30.0} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s] ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s] ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s] ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s] ]]" ->{30.0} "" + "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s] ]]" | +"[[ {tether(a) b0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" + "" ->{0.0003} "[[ {tether(a)}[b0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[b0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[b0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[b0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" ->{30.0} "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" ->{30.0} "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" | +"[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" + "[s*]{F^}" ->{0.0003} "{s F^}" + "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]:[r^* s*] ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Communicating Transmission Lines.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Communicating Transmission Lines.dna new file mode 100644 index 0000000..f1e174d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Communicating Transmission Lines.dna @@ -0,0 +1,32 @@ +(* Two 3-stator transmission lines on different origamis *) +directive sample 40000.0 1000 +directive simulation deterministicstiff +directive polymers +directive localconcentrations [ (a, 100000); (b, 100000) ] +directive plot input(); fuel(); probe(); reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom r = { colour = "purple" } +dom Q = { colour = "black" } +dom F = { colour = "black" } + +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami1() = [[ {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s] ]] +def origami2() = [[ {tether(a) b0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]] +def reporter() = {s F^} + +( input() +| 4 * fuel() +| probe() +| origami1() +| origami2() +| 0 * reporter() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).crn new file mode 100644 index 0000000..ccfe648 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).crn @@ -0,0 +1,60 @@ +directive sample 0.0,40000.0 1000 +directive plot "{s F}" +directive simulation deterministicstiff + +init "[s*]{x^>" 2.0 | +init "" 1.0 | +init "[[ {tether(a, b) a0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" 1.0 | +init "[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(a, c)}[x^ s]{blank^ s} + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{z^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[s*]{F}" 1.0 | +init "{s F}" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]:[z^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +"[[ {tether(a, b) a0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "" ->{0.0003} "[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" ->{300.0} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(a, c)}[x^ s]{blank^ s} + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" ->{30.0} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{z^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{z^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "[s*]{F}" ->{0.0003} "{s F}" + "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]:[z^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).dna new file mode 100644 index 0000000..f2b90fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).dna @@ -0,0 +1,30 @@ +(* Threshold-based spatial AND gate modified to add a reporter of output *) +directive sample 40000.0 1000 +directive polymers +directive simulation deterministicstiff +directive localconcentrations [ (a, 1000000); (b, 100000); (c, 1000000); (d, 100000) ] +directive plot reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom b0 = { colour = "purple" } +dom blank = { colour = "black" } + +def input1() = +def input2() = +def fuel() = [s*]{x^> +def probe() = [s*]{F} +def reporter() = {s F} +def origami() = [[ {tether(a, b) a0^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> ]] + +( input1() +(*| input2()*) +| 2 * fuel() +| probe() +| 0 * reporter() +| origami() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.crn new file mode 100644 index 0000000..383e813 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.crn @@ -0,0 +1,57 @@ +directive sample 0.0,10000.0 1000 +directive simulation deterministicstiff + +init "[s*]{x^>" 3.0 | +init "" 1.0 | +init "[[ {tether(a, b) a0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" 1.0 | +init "[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(a, c)}[x^ s]{blank^ s} + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +"[[ {tether(a, b) a0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "" ->{0.0003} "[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" ->{300.0} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(a, c)}[x^ s]{blank^ s} + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" ->{30.0} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.dna new file mode 100644 index 0000000..bee08d5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.dna @@ -0,0 +1,25 @@ +(* Threshold-based spatial AND gate *) +directive sample 10000.0 1000 +directive polymers +directive simulation deterministicstiff +directive localconcentrations [ (a, 1000000); (b, 100000); (c, 1000000); (d, 100000) ] + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom b0 = { colour = "purple" } +dom blank = { colour = "black" } + +def input1() = +def input2() = +def fuel() = [s*]{x^> +def origami() = [[ {tether(a, b) a0^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> ]] + +( input1() +(*| input2()*) +| 3 * fuel() +| origami() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2Domain.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/2Domain.crn new file mode 100644 index 0000000..b0f4eaa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2Domain.crn @@ -0,0 +1,257 @@ +directive sample 0.0,250000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ c = 0.0008 + ; x0 = 4.0 + ; kt = 0.001 + ; ku = 0.001 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; s = 2.0 ] + +event "" 1.0 @ 200000.0 | +event "" 2.0 @ 150000.0 | +event "" ((2.0 * s) * x0) @ 100000.0 | +event "" ((2.0 * s) * x0) @ 50000.0 | +init "{t^*}[x t^]:[x']" Cmax | +init "{t^*}[x' t^]:[x]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[r t^]:[r']" Cmax | +init "{t^*}[r' t^]:[r]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[y t^]:[y']" Cmax | +init "{t^*}[y' t^]:[y]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[v t^]:[v']" Cmax | +init "{t^*}[v' t^]:[v]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[e t^]:[e']" Cmax | +init "{t^*}[e' t^]:[e]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^(c)*}[r u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ r]{u^*}" Cmax | +init "{t^(c)*}[r' u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ r']{u^*}" Cmax | +init "{t^(c)*}[y' u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ y']{u^*}" Cmax | +init "" (2.0 * Cmax) | +init "{t^(c)*}[y u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ y]{u^*}" Cmax | +init "" (2.0 * Cmax) | +init "{t^(c)*}[e u^]:[x u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e' u^]:[x' u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e u^]:[v u^]:[i]" Cmax | +init "[i]:[t^ e]{u^*}" (4.0 * Cmax) | +init "{t^(c)*}[e' u^]:[v' u^]:[i]" Cmax | +init "[i]:[t^ e']{u^*}" (4.0 * Cmax) | +init "{t^(c)*}[x u^]:[v u^]:[i]" Cmax | +init "[i]:[t^ x]{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v]{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[x' u^]:[v' u^]:[i]" Cmax | +init "[i]:[t^ x']{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v']{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "" (10.0 * Cmax) | +init "" (10.0 * Cmax) | +init "{t^(c)*}[e]" Cmax | +init "{t^(c)*}[e']" Cmax | +init "{t^(c)*}[v]" Cmax | +init "{t^(c)*}[v']" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" (x0 * s) | +init "[t^ r]{t^*}:[r']" 0.0 | +init "[t^(c) r]{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) r]:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) r]:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e u^]" 0.0 | +init "[i t^]:[e u^]" 0.0 | +init "" 0.0 | +init "[t^ e]{t^*}:[e']" 0.0 | +init "[t^(c) e]{u^*}:[x u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ x]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ x]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x u^]" 0.0 | +init "[i t^]:[x u^]" 0.0 | +init "" 0.0 | +init "[t^ x]{t^*}:[x']" 0.0 | +init "[t^(c) x]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) x]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) x]:[u^ v]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v u^]" 0.0 | +init "[i t^]:[v u^]" 0.0 | +init "" 0.0 | +init "[t^ v]{t^*}:[v']" 0.0 | +init "[t^(c) v]" 0.0 | +init "" 0.0 | +init "[t^(c) e]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ v]:[u^ i]" 0.0 | +init "[t^(c) e]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r u^]" 0.0 | +init "[i t^]:[r u^]" 0.0 | +init "" 0.0 | +init "[t^ r']{t^*}:[r]" 0.0 | +init "[t^ r']:[t^ r]" 0.0 | +init "" 0.0 | +init "[t^(c) r']{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) r']:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) r']:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e' u^]" 0.0 | +init "[i t^]:[e' u^]" 0.0 | +init "" 0.0 | +init "[t^ e']{t^*}:[e]" 0.0 | +init "[t^ e']:[t^ e]" 0.0 | +init "[t^(c) e']{u^*}:[x' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ x']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ x']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x' u^]" 0.0 | +init "[i t^]:[x' u^]" 0.0 | +init "" 0.0 | +init "[t^ x']{t^*}:[x]" 0.0 | +init "[t^ x']:[t^ x]" 0.0 | +init "" 0.0 | +init "[t^(c) x']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) x']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) x']:[u^ v']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v' u^]" 0.0 | +init "[i t^]:[v' u^]" 0.0 | +init "" 0.0 | +init "[t^ v']{t^*}:[v]" 0.0 | +init "[t^ v']:[t^ v]" 0.0 | +init "[t^(c) v']" 0.0 | +init "" 0.0 | +init "[t^ v]:[t^ v']" 0.0 | +init "[t^ x]:[t^ x']" 0.0 | +init "" 0.0 | +init "[t^(c) e']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ v']:[u^ i]" 0.0 | +init "[t^(c) e']" 0.0 | +init "" 0.0 | +init "[t^ e]:[t^ e']" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r' u^]" 0.0 | +init "[i t^]:[r' u^]" 0.0 | +init "[t^ r]:[t^ r']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ y]{t^*}:[y']" 0.0 | +init "[t^(c) y]{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) y]:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) y]:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y u^]" 0.0 | +init "[i t^]:[y u^]" 0.0 | +init "" 0.0 | +init "[t^ y']{t^*}:[y]" 0.0 | +init "[t^ y']:[t^ y]" 0.0 | +init "" 0.0 | +init "[t^(c) y']{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) y']:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) y']:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y' u^]" 0.0 | +init "[i t^]:[y' u^]" 0.0 | +init "[t^ y]:[t^ y']" 0.0 | +init "" 0.0 | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{1.0} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"{t^*}[r t^]:[r']" + "" <->{kt}{kt} "[t^ r]{t^*}:[r']" + "" | +"[t^(c) r]:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) r]:[u^ e]:[u^ i]" + "" | +"[t^(c) r]{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) r]:[u^ e]{u^*}:[i]" + "" | +"[i]{t^*}:[e u^]" + "" ->{kt} "[i t^]:[e u^]" + "" | +"{t^(c)*}[e]" + "" ->{(kt * c)} "[t^(c) e]" + "" | +"[i]:[t^ e]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e u^]" + "" | +"{t^*}[e t^]:[e']" + "" <->{kt}{kt} "[t^ e]{t^*}:[e']" + "" | +"{t^(c)*}[e u^]:[x u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[x u^]:[i]" + "" | +"[t^(c) e]:[u^ x]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ x]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[x u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ x]{u^*}:[i]" + "" | +"[i]{t^*}:[x u^]" + "" ->{kt} "[i t^]:[x u^]" + "" | +"[i]:[t^ x]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x u^]" + "" | +"{t^*}[x t^]:[x']" + "" <->{kt}{kt} "[t^ x]{t^*}:[x']" + "" | +"{t^(c)*}[x u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x]{u^*}:[v u^]:[i]" + "" | +"[t^(c) x]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) x]:[u^ v]:[u^ i]" + "" | +"[t^(c) x]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) x]:[u^ v]{u^*}:[i]" + "" | +"[i]{t^*}:[v u^]" + "" ->{kt} "[i t^]:[v u^]" + "" | +"{t^(c)*}[v]" + "" ->{(kt * c)} "[t^(c) v]" + "" | +"[i]:[t^ v]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v u^]" + "" | +"{t^*}[v t^]:[v']" + "" <->{kt}{kt} "[t^ v]{t^*}:[v']" + "" | +"{t^(c)*}[e u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[v u^]:[i]" + "" | +"[t^(c) e]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ v]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ v]{u^*}:[i]" + "" | +"{t^(c)*}[r u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r]{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[r u^]" + "" ->{kt} "[i t^]:[r u^]" + "" | +"[i]:[t^ r]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r u^]" + "" | +"[t^ r]{t^*}:[r']" + "" ->{kt} "[t^ r]:[t^ r']" + "" | +"{t^*}[r' t^]:[r]" + "" <->{kt}{kt} "[t^ r']{t^*}:[r]" + "" | +"[t^ r']{t^*}:[r]" + "" ->{kt} "[t^ r']:[t^ r]" + "" | +"[t^(c) r']:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) r']:[u^ e']:[u^ i]" + "" | +"[t^(c) r']{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) r']:[u^ e']{u^*}:[i]" + "" | +"[i]{t^*}:[e' u^]" + "" ->{kt} "[i t^]:[e' u^]" + "" | +"{t^(c)*}[e']" + "" ->{(kt * c)} "[t^(c) e']" + "" | +"[t^ e]{t^*}:[e']" + "" ->{kt} "[t^ e]:[t^ e']" + "" | +"[i]:[t^ e']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e' u^]" + "" | +"{t^*}[e' t^]:[e]" + "" <->{kt}{kt} "[t^ e']{t^*}:[e]" + "" | +"[t^ e']{t^*}:[e]" + "" ->{kt} "[t^ e']:[t^ e]" + "" | +"{t^(c)*}[e' u^]:[x' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[x' u^]:[i]" + "" | +"[t^(c) e']:[u^ x']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ x']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[x' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ x']{u^*}:[i]" + "" | +"[i]{t^*}:[x' u^]" + "" ->{kt} "[i t^]:[x' u^]" + "" | +"[t^ x]{t^*}:[x']" + "" ->{kt} "[t^ x]:[t^ x']" + "" | +"[i]:[t^ x']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x' u^]" + "" | +"{t^*}[x' t^]:[x]" + "" <->{kt}{kt} "[t^ x']{t^*}:[x]" + "" | +"[t^ x']{t^*}:[x]" + "" ->{kt} "[t^ x']:[t^ x]" + "" | +"{t^(c)*}[x' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) x']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) x']:[u^ v']:[u^ i]" + "" | +"[t^(c) x']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) x']:[u^ v']{u^*}:[i]" + "" | +"[i]{t^*}:[v' u^]" + "" ->{kt} "[i t^]:[v' u^]" + "" | +"{t^(c)*}[v']" + "" ->{(kt * c)} "[t^(c) v']" + "" | +"[t^ v]{t^*}:[v']" + "" ->{kt} "[t^ v]:[t^ v']" + "" | +"[i]:[t^ v']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v' u^]" + "" | +"{t^*}[v' t^]:[v]" + "" <->{kt}{kt} "[t^ v']{t^*}:[v]" + "" | +"[t^ v']{t^*}:[v]" + "" ->{kt} "[t^ v']:[t^ v]" + "" | +"{t^(c)*}[e' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) e']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ v']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ v']{u^*}:[i]" + "" | +"{t^(c)*}[r' u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r']{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[r' u^]" + "" ->{kt} "[i t^]:[r' u^]" + "" | +"[i]:[t^ r']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r' u^]" + "" | +"{t^*}[y t^]:[y']" + "" <->{kt}{kt} "[t^ y]{t^*}:[y']" + "" | +"[t^(c) y]:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) y]:[u^ e']:[u^ i]" + "" | +"[t^(c) y]{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) y]:[u^ e']{u^*}:[i]" + "" | +"{t^(c)*}[y u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y]{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[y u^]" + "" ->{kt} "[i t^]:[y u^]" + "" | +"[i]:[t^ y]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y u^]" + "" | +"[t^ y]{t^*}:[y']" + "" ->{kt} "[t^ y]:[t^ y']" + "" | +"{t^*}[y' t^]:[y]" + "" <->{kt}{kt} "[t^ y']{t^*}:[y]" + "" | +"[t^ y']{t^*}:[y]" + "" ->{kt} "[t^ y']:[t^ y]" + "" | +"[t^(c) y']:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) y']:[u^ e]:[u^ i]" + "" | +"[t^(c) y']{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) y']:[u^ e]{u^*}:[i]" + "" | +"{t^(c)*}[y' u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y']{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[y' u^]" + "" ->{kt} "[i t^]:[y' u^]" + "" | +"[i]:[t^ y']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y' u^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/2Domain.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/2Domain.dna new file mode 100644 index 0000000..b2890e0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/2Domain.dna @@ -0,0 +1,179 @@ +(*------------------ 2 Domain implementation ---------------*) + +(*------------------ Settings ------------------------------*) +directive compilation infinite +directive simulation deterministicstiff +(* PI Controller settings *) +directive duration 250000.0 points 1000 +directive plot + sub (; ); (* R - R' *) + sub (; ); (* V - V' *) + sub (; ); (* Y - Y' *) + sub (; ) + +directive event 2*s*x0 @ 50000.0 +directive event 2*s*x0 @ 100000.0 +directive event 2.0 @ 150000.0 +directive event 1.0 @ 200000.0 + +(* +directive duration 500000.0 points 1000 +directive event 2*s*x0 @ 50000.0 +directive event 2*s*x0 @ 100000.0 +directive event 2*s*x0 @ 150000.0 +directive event 2*s*x0 @ 200000.0 +directive event 2*s*x0 @ 250000.0 +directive event 2*s*x0 @ 300000.0 +directive event 2*s*x0 @ 350000.0 +directive event 2*s*x0 @ 400000.0 +directive event 2*s*x0 @ 450000.0 +*) +(* Circuit component settings (no events) +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() +*) +directive parameters[ + c = 0.0008; + x0 = 4.0; + kt = 0.001; + ku = 0.001; + unbind = 0.1126; + Cmax = 1000.0; + s = 2.0 +] + +new t@kt,unbind +new u@ku,unbind + +(* Plotting *) +def R() = (* Signal(r) *) +def R'() = (* Signal(r') *) +def E() = (* Signal(e) *) +def E'() = (* Signal(e') *) +def V() = (* Signal(v) *) +def V'() = (* Signal(v') *) +def Y() = (* Signal(y) *) +def Y'() = (* Signal(y') *) +def X() = (* Signal(x) *) +def X'() = (* Signal(x') *) +def Load() = +def Load'() = + +def Signal(x) = + +(*------------------ Basic Reactions -----------------------*) +def Degradation(k,x) = Cmax/k * {t^(c)*}[x] +def Degradation2(k,x,x') = +( Degradation(k,x) +| Degradation(k,x') +) +def Annihilation(x,x') = +( Cmax * {t^*}[x t^]:[x'] +| Cmax * {t^*}[x' t^]:[x] +| Cmax * +| Cmax * +) +def Catalysis(k,x,y) = +( Cmax*k * {t^(c)*}[x u^]:[y u^]:[i] +| Cmax*k * [i]:[t^ x]{u^*} +| Cmax*k * [i]:[t^ y]{u^*} +| Cmax*k * +| Cmax*k * +| Cmax*k * +) +def Catalysis2(k,x,x',y,y') = +( Catalysis(k,x,y) +| Catalysis(k,x',y') +) + +(*------------------ Blocks -------------------------------*) +def Integration(k,x,x',y,y') = Catalysis2(k,x,x',y,y') +def Gain(k,kD,x,x',y,y') = +( Catalysis2(k,x,x',y,y') +| Degradation2(kD,y,y') +) +def Summation(k1,k2,kD,x1,x1',x2,x2',y,y') = +( Catalysis2(k1,x1,x1',y,y') +| Catalysis2(k2,x2,x2',y,y') +| Degradation2(kD,y,y') +) +def SummationInv(k1,k2,kD,x1,x1',x2,x2',y,y') = + Summation(k1,k2,kD,x1,x1',x2',x2,y,y') + +def PI(kP,kI,r,r',y,y',v,v') = +( SummationInv(1.0,1.0,1.0,r,r',y,y',e,e') +| Integration(kI,e,e',x,x') +| Summation(kP,1.0,1.0,e,e',x,x',v,v') +| Annihilation(x,x') +) +def Plant(v, v', y, y') = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal(v') ->{0.2} Signal(v') + Signal(y') +| rxn Signal(y) ->{0.1} +| rxn Signal(y')->{0.1} +| rxn Signal(y') + Signal(y) ->{1.0} +| rxn Load() + Signal(y) ->{0.01} Load() +| rxn Load'() + Signal(y') ->{0.01} Load'() +| rxn Load() + Load'() ->{1.0} +) +def Plottables() = +( 0 * R() +| 0 * R'() +| 0 * V() +| 0 * V'() +| 0 * Y() +| 0 * Y'() +| 0 * Load() +| 0 * Load'() +) + +(*------------------ Full system ----------------------------*) +def System() = +( Plottables() +| x0 * s * R() +| PI(1.0,1.0,r,r',y,y',v,v') +| Plant(v,v',y,y') +| Annihilation(r,r') +| Annihilation(y,y') +| Annihilation(v,v') +| Annihilation(e,e') +) + +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x,x') +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,x',y,y') +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,x',e,e',v,v') +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,y',r,r',e,e') +| Annihilation(e,e') +) + +(*------------------ Run -------------------------------------*) +System() +(* +TestAnnihilation() +TestCatalysis() +TestDegradation() +System() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Circuit.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Circuit.crn new file mode 100644 index 0000000..bef06ec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Circuit.crn @@ -0,0 +1,15 @@ +directive sample 0.0,1000000.0 1000 +directive plot "<1^ 2>"; "<3 4^>"; "<2 3>" +directive scale 100.0 + +init "{1^*}[2 3]{4^*}" 10.0 | +init "<1^ 2>" 1.0 | +init "[1^ 2]:<2>[3]{4^*}" 0.0 | +init "<3 4^>" 1.0 | +init "{1^*}[2 3]:<3>[4^]" 0.0 | +init "[1^ 2]:[3 4^]" 0.0 | +init "<2 3>" 0.0 | +"{1^*}[2 3]{4^*}" + "<1^ 2>" <->{0.0003}{0.1126} "[1^ 2]:<2>[3]{4^*}" | +"[1^ 2]:<2>[3]{4^*}" + "<3 4^>" ->{0.0003} "[1^ 2]:[3 4^]" + "<2 3>" | +"{1^*}[2 3]{4^*}" + "<3 4^>" <->{0.0003}{0.1126} "{1^*}[2 3]:<3>[4^]" | +"{1^*}[2 3]:<3>[4^]" + "<1^ 2>" ->{0.0003} "[1^ 2]:[3 4^]" + "<2 3>" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Circuit.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Circuit.dna new file mode 100644 index 0000000..8c263ac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Circuit.dna @@ -0,0 +1,16 @@ +directive sample 1000000.0 1000 +directive plot <1^ 2>; <3 4^>; <2 3> +directive scale 100.0 +def N1 = 1 +def N2 = 1 +def N = 10 +def Input1() = <1^ 2> +def Input2() = <3 4^> +def Output() = <2 3> +def AND() = {1^*}[2 3]{4^*} + +( N1*Input1() +| N2*Input2() +| N*AND() +| 0*Output() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Directives.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Directives.crn new file mode 100644 index 0000000..1058186 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Directives.crn @@ -0,0 +1,17 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; ""; ""; "" +directive simulation deterministic + +init "" 10.0 | +init "" 10.0 | +init "{tb^*}[b tx^]:[x to^]" 100.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]{to^*}" 100.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{0.0003} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Directives.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Directives.dna new file mode 100644 index 0000000..6a482a0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Directives.dna @@ -0,0 +1,17 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Output(); Signal() +directive scale 1.0 +directive compilation infinite +directive simulation deterministic +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Events.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Events.crn new file mode 100644 index 0000000..98e3cff --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Events.crn @@ -0,0 +1,24 @@ +directive sample 0.0,10000.0 1000 +directive plot "" +directive scale 10.0 +directive simulation deterministicstiff +directive parameters + [ N = 1.0 + ; T1 = 1000.0 ] +directive sweep sweep_1 = + { N = [0.0, 0.2, 0.4, 0.6] } + +event "" (N * 10.0) @ T1 | +init "" 0.0 | +init "" 10.0 | +init "{tb^*}[b tx^]:[x to^]" 100.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]{to^*}" 100.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{0.0003} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Events.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Events.dna new file mode 100644 index 0000000..5ffc521 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Events.dna @@ -0,0 +1,20 @@ +directive duration 10000.0 points 1000 +directive plot Signal() +directive scale 10.0 +directive compilation infinite +directive simulation deterministicstiff +directive event N*10.0 @ T1 +directive parameters [ N = 1.0; T1 = 1000.0 ] +directive sweep N = [0.0,0.2,0.4,0.6] +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Gate With Nicks.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Gate With Nicks.crn new file mode 100644 index 0000000..610d180 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Gate With Nicks.crn @@ -0,0 +1,30 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 + ; c = 50.0 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init "{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" 1.0 | +init "{T^*}[Ca Cb]" 1.0 | +init "" in1 | +init "[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" in2 | +init "{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" 0.0 | +init "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ Ca Cb]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" + "" + "" | +"{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" + "" ->{(1E-09 * c)} "{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" + "" + "" | +"[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" + "" + "" | +"{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" + "" ->{(c * 5E-05)} "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" + "" + "" | +"{T^*}[Ca Cb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Gate With Nicks.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Gate With Nicks.dna new file mode 100644 index 0000000..3707324 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Gate With Nicks.dna @@ -0,0 +1,32 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0; c = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( + in1*STRAND(T, Aa, Ab) +| in2*STRAND(T, Ba, Bb) +| AND(T, Aa, Ab, T, Ba, Bb, T, Ca, Cb) +| REPORTER(T, Ca, Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Reporter.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Reporter.crn new file mode 100644 index 0000000..a911bb7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Reporter.crn @@ -0,0 +1,21 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; ""; "" +directive scale 10.0 + +init "" 10.0 | +init "" 10.0 | +init "{tb^*}[b tx^]:[x to^]" 100.0 | +init "[tb^ b]:[tx^]:[x to^]" 0.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]:[to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]{to^*}" 100.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^]:[x to^]" | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^ x]:[to^]" | +"[tb^ b]:[tx^ x]:[to^]" <->{0.1126}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"[tb^ b]:[tx^]:[x to^]" <->{0.1126}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{0.0003} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND Reporter.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Reporter.dna new file mode 100644 index 0000000..a466614 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND Reporter.dna @@ -0,0 +1,15 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Signal() +directive scale 10.0 +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/AND.crn new file mode 100644 index 0000000..9fe61e3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND.crn @@ -0,0 +1,17 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; ""; "" +directive scale 10.0 + +init "" 10.0 | +init "" 10.0 | +init "{tb^*}[b tx^]:[x to^]" 100.0 | +init "[tb^ b]:[tx^]:[x to^]" 0.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]:[to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^]:[x to^]" | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^ x]:[to^]" | +"[tb^ b]:[tx^ x]:[to^]" <->{0.1126}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"[tb^ b]:[tx^]:[x to^]" <->{0.1126}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/AND.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/AND.dna new file mode 100644 index 0000000..a12b0d4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/AND.dna @@ -0,0 +1,12 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Output() +directive scale 10.0 +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +( 10*Input1() +| 10*Input2() +| 100*Join() +| 0*Output() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/And Gate.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/And Gate.crn new file mode 100644 index 0000000..9364204 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/And Gate.crn @@ -0,0 +1,54 @@ +directive plot ""; "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" 10.0 | +init "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" 0.0 | +init "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" 0.0 | +init "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S31^ S32]:[S33^ S34 S1]" 0.0 | +init "{S31^*}[S32 S33^ S34 S1]" 0.0 | +init "[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c^ S3^ S4a S4b^]{S5^*}" 0.0 | +init "" 0.0 | +init "[S31^ S32]{S33^*}:[S34 S1]" 0.0 | +init "" 0.0 | +init "[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" 0.0 | +init "" 0.0 | +init "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S31^ S32]:[S33^]:[S34 S1]" 0.0 | +init "{S31^*}[S32 S33^]:[S34 S1]" 0.0 | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" ->{0.0003} "[S31^ S32]:[S33^ S34 S1]" + "[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" + "" ->{0.0003} "[S31^ S32]:[S33^ S34 S1]" + "[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.0003} "[S31^ S32]:[S33^ S34 S1]" + "[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" + "[S31^ S32]{S33^*}:[S34 S1]" | +"[S31^ S32]:[S33^ S34 S1]" <->{0.1126}{0.0003} "{S31^*}[S32 S33^ S34 S1]" + "" | +"[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" + "" | +"[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" <->{0.004}{0.00065} "[S2a S2b^ S2c^ S3^ S4a S4b^]{S5^*}" + "" | +"[S31^ S32]{S33^*}:[S34 S1]" + "" ->{0.0003} "[S31^ S32]:[S33^ S34 S1]" + "" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.04}{0.00042} "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" | +"[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" <->{0.00042}{0.04} "[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.004}{0.00065} "[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" <->{0.1126}{0.0003} "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.1126}{0.0003} "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" + "" | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" + "{S31^*}[S32 S33^]:[S34 S1]" | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.04}{0.00042} "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" + "[S31^ S32]:[S33^]:[S34 S1]" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.04}{0.00042} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" | +"[S31^ S32]{S33^*}:[S34 S1]" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]" | +"[S31^ S32]:[S33^]:[S34 S1]" <->{0.1126}{0.0003} "{S31^*}[S32 S33^]:[S34 S1]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/And Gate.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/And Gate.dna new file mode 100644 index 0000000..b07efc7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/And Gate.dna @@ -0,0 +1,33 @@ +(* A representation of an And Gate, requiring two species to release, from Fig S11 *) +directive plot ; Gate() + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} (* x *) +dom S2b = { seq=TCTCCA; bind=4.2E-4; unbind=4.0E-2} (* y *) +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} (* x *) +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} +dom S9b = {seq=CCTACG} (* x *) +dom S10 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S31 = {seq=CACACA} +dom S32 = {seq=ACTTCAGTCATTAAGC} +dom S33 = {seq = AGAC } +dom S34 = {seq = CCATACAAGTATCA } + + +def FuelOne() = +def FuelTwo() = +def Gate() = {S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*} + +def AndGate(N) = + ( N*Gate() | N* + | N* + | N*FuelOne() | N*FuelTwo()) + +AndGate(10) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Fork.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Fork.crn new file mode 100644 index 0000000..707ea58 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Fork.crn @@ -0,0 +1,30 @@ +directive sample 0.0,30000.0 1000 +directive plot sum(""); sum(""); sum("") +directive scale 100.0 + +init "" 1.0 | +init "{tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" 100.0 | +init "" 100.0 | +init "[x]{ta^*}" 100.0 | +init "[B]{tx^*}" 100.0 | +init "" 1.0 | +init "[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" 0.0 | +init "[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tz^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tz^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tz^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ta^ a ty^ b tz^ c tB^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x ta^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B tx^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" | +"[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tz^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tz^]:[c tB^]" | +"[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tz^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tx^ x]:[ta^ a ty^ b tz^ c tB^]" + "" + "" + "" | +"[x]{ta^*}" + "" ->{0.0003} "[x ta^]" + "" | +"[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tz^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tz^]:[c tB^]" + "" | +"[B]{tx^*}" + "" ->{0.0003} "[B tx^]" + "" | +"[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tz^]:[c tB^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Fork.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Fork.dna new file mode 100644 index 0000000..a7a842b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Fork.dna @@ -0,0 +1,23 @@ +directive duration 30000.0 points 1000 +directive plot sum(<_ tx^ x>); [B]:[tx^]; sum(<_ ty^ y>); sum(<_ tz^ z>); +[tB^ B]:{tx^}:[x ta^]:[a ty]:[b tz^]:[c tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind + +def BF2(M,N, tx,x, ty,y, tz,z) = +new ta@bind,unbind new a new b new c new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +( BF2(Buff,1, tx,x, ty,y, tz,z) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Join.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Join.crn new file mode 100644 index 0000000..ba27aa8 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Join.crn @@ -0,0 +1,55 @@ +directive sample 0.0,100000.0 1000 +directive plot sum(""); sum(""); sum(""); sum(""); "" +directive scale 100.0 + +init "" 1.0 | +init "" 1.0 | +init "{tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 100.0 | +init "" 100.0 | +init "[B]{tx^*}" 100.0 | +init "[x]:[ty^ d]:[td^ y]{ta^*}" 100.0 | +init "" 100.0 | +init "{td^*}[y]" 100.0 | +init "{ty^*}[d]" 100.0 | +init "" 1.0 | +init "[tB^ B]:[tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]{tx^*}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]{ty^*}:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ty^ y]:[ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ty^ y]{ta^*}:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ty^ y]:[ta^ a tz^ b tw^ c tB^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]:[ty^ d]:[td^ y]:[ta^]" 0.0 | +init "[x]:[ty^ d]{td^*}:[y ta^]" 0.0 | +init "[x]:[ty^ d]:[td^]:[y ta^]" 0.0 | +init "[x]{ty^*}:[d td^]:[y ta^]" 0.0 | +init "" 0.0 | +init "[ty^ d]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td^ y]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x ty^]:[d td^]:[y ta^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B tx^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" | +"[tB^ B]{tx^*}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^ x]:[ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" | +"[tB^ B]:[tx^ x]{ty^*}:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^ x]:[ty^ y]:[ta^]:[a tz^]:[b tw^]:[c tB^]" | +"[tB^ B]:[tx^ x]:[ty^ y]{ta^*}:[a tz^]:[b tw^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tx^ x]:[ty^ y]:[ta^ a tz^ b tw^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tx^ x]:[ty^ y]:[ta^]:[a tz^]:[b tw^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tx^ x]:[ty^ y]{ta^*}:[a tz^]:[b tw^]:[c tB^]" + "" | +"[x]:[ty^ d]:[td^ y]{ta^*}" + "" <->{0.0003}{0.1126} "[x]:[ty^ d]:[td^ y]:[ta^]" | +"[x]:[ty^ d]{td^*}:[y ta^]" + "" <->{0.0003}{0.1126} "[x]:[ty^ d]:[td^]:[y ta^]" | +"{ty^*}[d]" + "" ->{0.0003} "[ty^ d]" + "" | +"[x]:[ty^ d]:[td^]:[y ta^]" <->{0.1126}{0.0003} "[x]{ty^*}:[d td^]:[y ta^]" + "" | +"{td^*}[y]" + "" ->{0.0003} "[td^ y]" + "" | +"[x]:[ty^ d]:[td^ y]:[ta^]" <->{0.1126}{0.0003} "[x]:[ty^ d]{td^*}:[y ta^]" + "" | +"[tB^ B]:[tx^ x]:[ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tx^ x]{ty^*}:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" | +"[x]{ty^*}:[d td^]:[y ta^]" + "" ->{0.0003} "[x ty^]:[d td^]:[y ta^]" + "" | +"[B]{tx^*}" + "" ->{0.0003} "[B tx^]" + "" | +"[tB^ B]:[tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]{tx^*}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Join.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Join.dna new file mode 100644 index 0000000..cda0418 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Join.dna @@ -0,0 +1,29 @@ +directive duration 100000.0 points 1000 +directive plot sum(<_ tx^ x>); sum(<_ ty^ y>); sum(<_ tz^ z>); sum(<_ tw^ w>); ; +[tB^ B]:{tx^}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind +new tw@bind,unbind + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * +) + +( BJ2x2(Buff,1, tx,x, ty,y, tz,z, tw,w) +| 1 * +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Transducer.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Transducer.crn new file mode 100644 index 0000000..1858634 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Transducer.crn @@ -0,0 +1,29 @@ +directive sample 0.0,30000.0 1000 +directive plot sum(""); sum("") +directive scale 100.0 + +init "" 1.0 | +init "{tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^]" 100.0 | +init "" 100.0 | +init "[x]{ta^*}" 100.0 | +init "[B]{tx^*}" 100.0 | +init "" 1.0 | +init "[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tB^]" 0.0 | +init "[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tB^]" 0.0 | +init "[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ta^ a ty^ b tB^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x ta^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B tx^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tB^]" | +"[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tB^]" | +"[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tB^]" + "" ->{0.0003} "[tB^ B]:[tx^ x]:[ta^ a ty^ b tB^]" + "" + "" | +"[x]{ta^*}" + "" ->{0.0003} "[x ta^]" + "" | +"[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tB^]" + "" | +"[B]{tx^*}" + "" ->{0.0003} "[B tx^]" + "" | +"[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tB^]" <->{0.1126}{0.0003} "[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tB^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Transducer.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Transducer.dna new file mode 100644 index 0000000..828055b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Buffered Transducer.dna @@ -0,0 +1,21 @@ +directive duration 30000.0 points 1000 +directive plot sum(<_ tx^ x>); sum(<_ ty^ y>); [tB^ B]:{tx^}:[x ta^]:[a ty^]:[b tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind + +def BTr(M,N, tx,x, ty,y) = +new ta@bind,unbind new a new b new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +( BTr(Buff,1, tx,x, ty,y) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/CRN.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/CRN.crn new file mode 100644 index 0000000..2b8bd43 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/CRN.crn @@ -0,0 +1,52 @@ +directive sample 0.0,250000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ cat = 0.0008 + ; deg = 0.0008 + ; ann = 0.001 + ; x0 = 4.0 + ; s = 1.0 ] + +event "" 1.0 @ 200000.0 | +event "" 2.0 @ 150000.0 | +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{deg} | +"" ->{deg} | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{deg} | +"" ->{deg} | +"" + "" ->{ann} | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} | +"" + "" ->{(1.0 + ann)} | +"" + "" ->{ann} | +"" + "" ->{ann} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/CRN.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/CRN.dna new file mode 100644 index 0000000..a719121 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/CRN.dna @@ -0,0 +1,150 @@ +(*------------------ CRN implementation --------------------*) + +(*------------------ Settings ------------------------------*) +directive compilation infinite +directive simulation deterministicstiff +(* PI Controller settings *) +directive duration 250000.0 points 1000 +directive plot + sub (; ); (* R - R' *) + sub (; ); (* V - V' *) + sub (; ); (* Y - Y' *) + sub (; ) + +directive event 2*x0 @ 50000.0 +directive event 2*x0 @ 100000.0 +directive event 2.0 @ 150000.0 +directive event 1.0 @ 200000.0 + +(* Circuit component settings (no events) +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() +*) +directive parameters[ + cat = 0.0008; + deg = 0.0008; + ann = 0.001; + x0 = 4.0; + s = 1.0 +] + +(* Plotting *) +def R() = (* Signal(r) *) +def R'() = (* Signal(r') *) +def E() = (* Signal(e) *) +def E'() = (* Signal(e') *) +def V() = (* Signal(v) *) +def V'() = (* Signal(v') *) +def Y() = (* Signal(y) *) +def Y'() = (* Signal(y') *) +def X() = (* Signal(x) *) +def X'() = (* Signal(x') *) +def Load() = +def Load'() = + +def Signal(x) = ( ) + +(*------------------ Basic Reactions -----------------------*) +def Degradation(k,x) = ( rxn Signal(x) ->{deg/k} ) +def Degradation2(k,x,x') = +( Degradation(k,x) +| Degradation(k,x') +) +def Catalysis(k,x,y) = rxn Signal(x) ->{cat*k} Signal(x) + Signal(y) +def Catalysis2(k,x,x',y,y') = +( Catalysis(k,x,y) +| Catalysis(k,x',y') +) +def Annihilation(x,x') = ( rxn Signal(x) + Signal(x') ->{ann} ) + +(*------------------ Blocks -------------------------------*) +def Integration(k,x,x',y,y') = Catalysis2(k,x,x',y,y') +def Gain(k,kD,x,x',y,y') = +( Catalysis2(k,x,x',y,y') +| Degradation2(kD,y,y') +) +def Summation(k1,k2,kD,x1,x1',x2,x2',y,y') = +( Catalysis2(k1,x1,x1',y,y') +| Catalysis2(k2,x2,x2',y,y') +| Degradation2(kD,y,y') +) +def SummationInv(k1,k2,kD,x1,x1',x2,x2',y,y') = + Summation(k1,k2,kD,x1,x1',x2',x2,y,y') + +def PI(kP,kI,r,r',y,y',v,v') = +( SummationInv(1.0,1.0,1.0,r,r',y,y',e,e') +| Integration(kI,e,e',x,x') +| Summation(kP,1.0,1.0,e,e',x,x',v,v') +| Annihilation(x,x') +) +def Plant(v, v', y, y') = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal(v') ->{0.2} Signal(v') + Signal(y') +| (rxn Signal(y) ->{0.1}) +| (rxn Signal(y')->{0.1}) +| (rxn Signal(y') + Signal(y) ->{1.0} ) +| rxn Load() + Signal(y) ->{0.01} Load() +| rxn Load'() + Signal(y') ->{0.01} Load'() +| (rxn Load() + Load'() ->{1.0} ) +) +def Plottables() = +( 0 * R() +| 0 * R'() +| 0 * V() +| 0 * V'() +| 0 * Y() +| 0 * Y'() +| 0 * Load() +| 0 * Load'() +) + +(*------------------ Full system ----------------------------*) +def System() = +( Plottables() +| x0 * R() +| PI(1.0,1.0,r,r',y,y',v,v') +| Plant(v,v',y,y') +| Annihilation(r,r') +| Annihilation(y,y') +| Annihilation(v,v') +| Annihilation(e,e') +) + +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x,x') +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,x',y,y') +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,x',e,e',v,v') +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,y',r,r',e,e') +| Annihilation(e,e') +) + +(*------------------ Run -------------------------------------*) +System() +(* +TestAnnihilation() +TestCatalysis() +TestDegradation() +System() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic Directives.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic Directives.crn new file mode 100644 index 0000000..2ea6dc5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic Directives.crn @@ -0,0 +1,17 @@ +directive sample 0.0,7000.0 1000 +directive plot "<2 3^ 4>"; "<4 5^>"; "<1 2>"; "<6 3^ 4>"; "<1>[2]:<6>[3^ 4]{5^*}" +directive scale 500.0 + +init "<2 3^ 4>" 13.0 | +init "<4 5^>" 10.0 | +init "<1>[2]:<6>[3^ 4]{5^*}" 10.0 | +init "<1>[2]:<6>[3^ 4]:<4>[5^]" 0.0 | +init "<1>[2]{3^*}:[4 5^]" 0.0 | +init "[2 3^ 4]:<4>[5^]" 0.0 | +init "[2 3^ 4]{5^*}" 0.0 | +init "<1 2>" 0.0 | +init "<6 3^ 4>" 0.0 | +"<1>[2]:<6>[3^ 4]{5^*}" + "<4 5^>" <->{0.00065}{0.004} "<1>[2]:<6>[3^ 4]:<4>[5^]" | +"<1>[2]{3^*}:[4 5^]" + "<2 3^ 4>" ->{0.00042} "[2 3^ 4]:<4>[5^]" + "<1 2>" | +"[2 3^ 4]:<4>[5^]" <->{0.004}{0.00065} "[2 3^ 4]{5^*}" + "<4 5^>" | +"<1>[2]:<6>[3^ 4]:<4>[5^]" <->{0.04}{0.00042} "<1>[2]{3^*}:[4 5^]" + "<6 3^ 4>" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic Directives.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic Directives.dna new file mode 100644 index 0000000..e9b6943 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic Directives.dna @@ -0,0 +1,16 @@ +(* A simple catalytic circuit based on Zhang (Science 2007), demonstrating each directive. *) +directive duration 7000.0 points 1000 +directive leak 1.0E-9 (* default leakage rate /nM/s *) +directive tau 0.1126 (* default merged rate /s *) +directive migrate 8000.0 (* default nucleotide migration rate /s *) +directive lengths 6 20 (* default toehold and normal domain lengths *) +directive tolerance 1.0E-6 (* default ODE tolerance for deterministic simulator *) +directive plot <2 3^ 4>; <4 5^>; <1 2>; <6 3^ 4>; +<1>[2]:<6>[3^ 4]{5^*} (* plot a subset of gates and strands *) +directive scale 500.0 (* multiply concentrations, divide binding and leak rates *) +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic.dna new file mode 100644 index 0000000..4fd67dc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Catalytic.dna @@ -0,0 +1,9 @@ +(* A simple catalytic circuit based on Zhang (Science 2007).*) +directive duration 7000.0 points 1000 +directive scale 500.0 +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Modules.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Modules.crn new file mode 100644 index 0000000..f4414fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Modules.crn @@ -0,0 +1,190 @@ +directive sample 0.0,5000.0 200 +directive plot ""; ""; "" +directive simulation deterministic +directive parameters + [ ka, (1E-05, 0.002), 0.0003, log, random + ; kq, (1E-05, 0.002), 0.0003, log, random + ; kr, (1E-05, 0.002), 0.0003, log, random + ; kb, (1E-05, 0.002), 0.0003, log, random + ; kc, (1E-05, 0.002), 0.0003, log, random + ; ua,(1.0e-4,2.0e+1),0.1,log,fixed + ; ub,(1.0e-4,2.0e+1),0.1,log,fixed + ; ur,(1.0e-4,2.0e+1),0.1,log,fixed + ; uq,(1.0e-4,2.0e+1),0.1,log,fixed + ; uc,(1.0e-4,2.0e+1),0.1,log,fixed + ; kt, (1E-05, 0.002), 0.0003, log, random + ; ku1, (1E-05, 0.002), 0.0003, log, random + ; ku2, (1E-05, 0.002), 0.0003, log, random + ; ku3, (1E-05, 0.002), 0.0003, log, random + ; ut,(1.0e-4,2.0e+1),0.1,log,fixed + ; uu1,(1.0e-4,2.0e+1),0.1,log,fixed + ; uu2,(1.0e-4,2.0e+1),0.1,log,fixed + ; uu3,(1.0e-4,2.0e+1),0.1,log,fixed + ; X = 50.0 + ; NG = 75.0 + ; NH = 100.0 + ; NR = 150.0 + ; Xv = 40.0 + ; NGv = 120.0 + ; NHv = 120.0 + ; NRv = 120.0 + ; Xh = 10.0 + ; NGh = 15.0 + ; NHh = 20.0 + ; NRh = 30.0 + ; Xi = 10.0 + ; NGi = 30.0 + ; NHi = 30.0 + ; NRi = 30.0 + ; NMi = 100.0 + ; Xr = 1.0 + ; NRr = 3.0 + ; Xm = 40.0 + ; NGm = 80.0 + ; NHm = 80.0 + ; NRm = 120.0 + ; leakXY2B_J,(0.0,0.1),0.01,real,fixed + ; badXY2B_X,(0.0,0.3),0.01,real,fixed + ; leakXY2B_F,(0.0,0.1),0.01,real,fixed + ; badXY2B_Y,(0.0,0.3),0.01,real,fixed + ; leakBX2X_J,(0.0,0.1),0.01,real,fixed + ; badBX2X_B,(0.0,0.3),0.01,real,fixed + ; leakBX2X_F,(0.0,0.1),0.01,real,fixed + ; badBX2X_X,(0.0,0.3),0.01,real,fixed + ; leakBY2Y_J,(0.0,0.1),0.01,real,fixed + ; badBY2Y_B,(0.0,0.3),0.01,real,fixed + ; leakBY2Y_F,(0.0,0.1),0.01,real,fixed + ; badBY2Y_Y,(0.0,0.3),0.01,real,fixed + ; leakJoinBX_B,(0.0,0.1),0.01,real,fixed + ; badJoinBX_B,(0.0,0.3),0.01,real,fixed + ; leakJoinBX_X,(0.0,0.1),0.01,real,fixed + ; badJoinBX_X,(0.0,0.3),0.01,real,fixed + ; leakJoinBX_H,(0.0,0.1),0.01,real,fixed + ; badJoinBX_H,(0.0,0.3),0.01,real,fixed + ; leakJoinBY_B,(0.0,0.1),0.01,real,fixed + ; badJoinBY_B,(0.0,0.3),0.01,real,fixed + ; leakJoinBY_Y,(0.0,0.1),0.01,real,fixed + ; badJoinBY_Y,(0.0,0.3),0.01,real,fixed + ; leakJoinBY_H,(0.0,0.1),0.01,real,fixed + ; badJoinBY_H,(0.0,0.3),0.01,real,fixed + ; leakJoinXY_X,(0.0,0.1),0.01,real,fixed + ; badJoinXY_X,(0.0,0.3),0.01,real,fixed + ; leakJoinXY_Y,(0.0,0.1),0.01,real,fixed + ; badJoinXY_Y,(0.0,0.3),0.01,real,fixed + ; leakJoinXY_H,(0.0,0.1),0.01,real,fixed + ; badJoinXY_H,(0.0,0.3),0.01,real,fixed + ; leakFork2B_R,(0.0,0.1),0.01,real,fixed + ; badFork2B_R,(0.0,0.3),0.01,real,fixed + ; leakFork2B_H1,(0.0,0.1),0.01,real,fixed + ; badFork2B_H1,(0.0,0.3),0.01,real,fixed + ; leakFork2B_H2,(0.0,0.1),0.01,real,fixed + ; badFork2B_H2,(0.0,0.3),0.01,real,fixed + ; leakFork2X_R,(0.0,0.1),0.01,real,fixed + ; badFork2X_R,(0.0,0.3),0.01,real,fixed + ; leakFork2X_H1,(0.0,0.1),0.01,real,fixed + ; badFork2X_H1,(0.0,0.3),0.01,real,fixed + ; leakFork2X_H2,(0.0,0.1),0.01,real,fixed + ; badFork2X_H2,(0.0,0.3),0.01,real,fixed + ; leakFork2Y_R,(0.0,0.1),0.01,real,fixed + ; badFork2Y_R,(0.0,0.3),0.01,real,fixed + ; leakFork2Y_H1,(0.0,0.1),0.01,real,fixed + ; badFork2Y_H1,(0.0,0.3),0.01,real,fixed + ; leakFork2Y_H2,(0.0,0.1),0.01,real,fixed + ; badFork2Y_H2,(0.0,0.3),0.01,real,fixed +] + +init "" ((Xm * 0.7) * (1.0 - badXY2B_Y)) | +init "" 0.0 | +init "" (4.0 * NHm) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" (NGm * (1.0 - leakXY2B_F)) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" (NGm * (1.0 - leakBX2X_F)) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" ((NGm * 1.2) * (1.0 - leakBY2Y_F)) | +init "" NHm | +init "" 0.0 | +init "" NHm | +init "" 0.0 | +init "" (NHm * 1.2) | +init "" 0.0 | +init "" ((Xm * 0.3) * (1.0 - badXY2B_X)) | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[x t^]:[y t^]:[rxy u1^]" (NGm * (1.0 - leakXY2B_J)) | +init "[t^ x]{t^*}:[y t^]:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]{t^*}:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" 0.0 | +init "" (NGm * leakXY2B_J) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" 0.0 | +init "{t^*}[b t^]:[x t^]:[rbx u1^]" (NGm * (1.0 - leakBX2X_J)) | +init "{t^*}[b t^]:[y t^]:[rby u1^]" ((NGm * 1.2) * (1.0 - leakBY2Y_J)) | +init "" (NGm * leakXY2B_F) | +init "[t^ b]{t^*}:[x t^]:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]{t^*}:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" 0.0 | +init "" (NGm * leakBX2X_J) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" 0.0 | +init "[t^ b]{t^*}:[y t^]:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]{t^*}:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]:[t^ rby]{u1^*}" 0.0 | +init "" ((NGm * 1.2) * leakBY2Y_J) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" 0.0 | +init "" (NGm * leakBX2X_F) | +init "" ((NGm * 1.2) * leakBY2Y_F) | +init "" NHm | +init "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" 0.0 | +init "" NHm | +init "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" 0.0 | +init "" (NHm * 1.2) | +init "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" 0.0 | +init "" NHm | +init "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NHm | +init "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" (NHm * 1.2) | +init "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "" NHm | +init "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NHm | +init "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" (NHm * 1.2) | +init "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "{t^*}[b]" NRm | +init "[t^ b]" 0.0 | +init "" 0.0 | +init "{u3^*}[px]" NRm | +init "[u3^ px]" 0.0 | +init "" 0.0 | +init "{u3^*}[py]" NRm | +init "[u3^ py]" 0.0 | +init "" 0.0 | +"{t^*}[x t^]:[y t^]:[rxy u1^]" + "" <->{kt}{kt} "[t^ x]{t^*}:[y t^]:[rxy u1^]" + "" | +"[t^ x]{t^*}:[y t^]:[rxy u1^]" + "" <->{kt}{kt} "[t^ x]:[t^ y]{t^*}:[rxy u1^]" + "" | +"[t^ x]:[t^ y]{t^*}:[rxy u1^]" + "" <->{kt}{ku1} "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" + "" | +"[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" + "" <->{ku1}{ku2} "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" + "" | +"{t^*}[b t^]:[x t^]:[rbx u1^]" + "" <->{kt}{kt} "[t^ b]{t^*}:[x t^]:[rbx u1^]" + "" | +"[t^ b]{t^*}:[x t^]:[rbx u1^]" + "" <->{kt}{kt} "[t^ b]:[t^ x]{t^*}:[rbx u1^]" + "" | +"[t^ b]:[t^ x]{t^*}:[rbx u1^]" + "" <->{kt}{ku1} "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" + "" | +"[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" + "" <->{ku1}{ku2} "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" + "" | +"{t^*}[b t^]:[y t^]:[rby u1^]" + "" <->{kt}{kt} "[t^ b]{t^*}:[y t^]:[rby u1^]" + "" | +"[t^ b]{t^*}:[y t^]:[rby u1^]" + "" <->{kt}{kt} "[t^ b]:[t^ y]{t^*}:[rby u1^]" + "" | +"[t^ b]:[t^ y]{t^*}:[rby u1^]" + "" <->{kt}{ku1} "[t^ b]:[t^ y]:[t^ rby]{u1^*}" + "" | +"[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" + "" <->{ku1}{ku2} "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" + "" | +"[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" + "" <->{ku2}{kt} "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" + "" | +"[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" + "" <->{ku2}{kt} "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" + "" | +"[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" + "" <->{ku2}{kt} "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" + "" | +"[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" + "" <->{kt}{ku3} "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" + "" <->{kt}{ku3} "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" + "" | +"[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" + "" <->{kt}{ku3} "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" + "" | +"[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" ->{kt} "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" + "" <->{ku3}{kt} "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" ->{kt} "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" | +"[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" + "" <->{ku3}{kt} "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" | +"[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" + "" <->{ku3}{kt} "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" | +"[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" ->{kt} "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" | +"{t^*}[b]" + "" ->{kt} "[t^ b]" + "" | +"{u3^*}[px]" + "" ->{ku3} "[u3^ px]" + "" | +"{u3^*}[py]" + "" ->{ku3} "[u3^ py]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Modules.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Modules.dna new file mode 100644 index 0000000..a8aa074 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Modules.dna @@ -0,0 +1,195 @@ +directive sample 5000.0 200 +directive compilation infinite +directive simulation deterministic +directive declare +directive time s +directive concentration nM +directive plot ; ; + +directive parameters [ +(* Rates *) +ka,(1.0e-5,2.0e-3),0.0003,log,random; +kq,(1.0e-5,2.0e-3),0.0003,log,random; +kr,(1.0e-5,2.0e-3),0.0003,log,random; +kb,(1.0e-5,2.0e-3),0.0003,log,random; +kc,(1.0e-5,2.0e-3),0.0003,log,random; +ua,(1.0e-4,2.0e+1),0.1,log,fixed; +ub,(1.0e-4,2.0e+1),0.1,log,fixed; +ur,(1.0e-4,2.0e+1),0.1,log,fixed; +uq,(1.0e-4,2.0e+1),0.1,log,fixed; +uc,(1.0e-4,2.0e+1),0.1,log,fixed; +kt,(1.0e-5,2.0e-3),0.0003,log,random; +ku1,(1.0e-5,2.0e-3),0.0003,log,random; +ku2,(1.0e-5,2.0e-3),0.0003,log,random; +ku3,(1.0e-5,2.0e-3),0.0003,log,random; +ut,(1.0e-4,2.0e+1),0.1,log,fixed; +uu1,(1.0e-4,2.0e+1),0.1,log,fixed; +uu2,(1.0e-4,2.0e+1),0.1,log,fixed; +uu3,(1.0e-4,2.0e+1),0.1,log,fixed; + +(* Concentrations *) +X = 50.0; NG = 75.0; NH = 100.0; NR = 150.0; (* Default *) +Xv = 40.0; NGv = 120.0; NHv = 120.0; NRv = 120.0; (* Reversibles *) +Xh = 10.0; NGh = 15.0; NHh = 20.0; NRh = 30.0; (* Halves *) +Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; (* Intermediates *) +Xr = 1.0; NRr = 3.0; (* Reporters *) +Xm = 40.0; NGm = 80.0; NHm = 80.0; NRm = 120.0; (* Consensus *) + +(* Leak parameters *) +leakXY2B_J,(0.0,0.1),0.01,real,fixed; badXY2B_X,(0.0,0.3),0.01,real,fixed; +leakXY2B_F,(0.0,0.1),0.01,real,fixed; badXY2B_Y,(0.0,0.3),0.01,real,fixed; +leakBX2X_J,(0.0,0.1),0.01,real,fixed; badBX2X_B,(0.0,0.3),0.01,real,fixed; +leakBX2X_F,(0.0,0.1),0.01,real,fixed; badBX2X_X,(0.0,0.3),0.01,real,fixed; +leakBY2Y_J,(0.0,0.1),0.01,real,fixed; badBY2Y_B,(0.0,0.3),0.01,real,fixed; +leakBY2Y_F,(0.0,0.1),0.01,real,fixed; badBY2Y_Y,(0.0,0.3),0.01,real,fixed; + +leakJoinBX_B,(0.0,0.1),0.01,real,fixed; badJoinBX_B,(0.0,0.3),0.01,real,fixed; +leakJoinBX_X,(0.0,0.1),0.01,real,fixed; badJoinBX_X,(0.0,0.3),0.01,real,fixed; +leakJoinBX_H,(0.0,0.1),0.01,real,fixed; badJoinBX_H,(0.0,0.3),0.01,real,fixed; +leakJoinBY_B,(0.0,0.1),0.01,real,fixed; badJoinBY_B,(0.0,0.3),0.01,real,fixed; +leakJoinBY_Y,(0.0,0.1),0.01,real,fixed; badJoinBY_Y,(0.0,0.3),0.01,real,fixed; +leakJoinBY_H,(0.0,0.1),0.01,real,fixed; badJoinBY_H,(0.0,0.3),0.01,real,fixed; +leakJoinXY_X,(0.0,0.1),0.01,real,fixed; badJoinXY_X,(0.0,0.3),0.01,real,fixed; +leakJoinXY_Y,(0.0,0.1),0.01,real,fixed; badJoinXY_Y,(0.0,0.3),0.01,real,fixed; +leakJoinXY_H,(0.0,0.1),0.01,real,fixed; badJoinXY_H,(0.0,0.3),0.01,real,fixed; + +leakFork2B_R,(0.0,0.1),0.01,real,fixed; badFork2B_R,(0.0,0.3),0.01,real,fixed; +leakFork2B_H1,(0.0,0.1),0.01,real,fixed; badFork2B_H1,(0.0,0.3),0.01,real,fixed; +leakFork2B_H2,(0.0,0.1),0.01,real,fixed; badFork2B_H2,(0.0,0.3),0.01,real,fixed; +leakFork2X_R,(0.0,0.1),0.01,real,fixed; badFork2X_R,(0.0,0.3),0.01,real,fixed; +leakFork2X_H1,(0.0,0.1),0.01,real,fixed; badFork2X_H1,(0.0,0.3),0.01,real,fixed; +leakFork2X_H2,(0.0,0.1),0.01,real,fixed; badFork2X_H2,(0.0,0.3),0.01,real,fixed; +leakFork2Y_R,(0.0,0.1),0.01,real,fixed; badFork2Y_R,(0.0,0.3),0.01,real,fixed; +leakFork2Y_H1,(0.0,0.1),0.01,real,fixed; badFork2Y_H1,(0.0,0.3),0.01,real,fixed; +leakFork2Y_H2,(0.0,0.1),0.01,real,fixed; badFork2Y_H2,(0.0,0.3),0.01,real,fixed +] + +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tc,c) = + +def Translator(r,tq) = +def InputR(a,tb) = +def OutputR(c,tr) = +def CatalystR(b,tr) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Rep_Fork(tc,c) = {tc^*}[c] +def Rep_Join(r,tq) = [r]{tq^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Fork_C(i,tc,c,tr,r,tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i,tc,c,tb,b,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} + +(* Module definitions *) +def Join(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) +) +def Fork(N,NH1,NH2,NG,Leak,i,tc,c,tr,r,tq) = +( NG*(1.0-Leak) * Fork_C(i,tc,c,tr,r,tq) +| NG*Leak * Output(tc,c) +| N * Translator(r,tq) +| NH1 * OutputR(c,tr) +| NH2 * End(i,tc) +| 0 * Helper(tr,r) +) +def Fork2(N,NH1,NH2,NH3,NG,Leak,i,tc,c,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Fork_BC(i,tc,c,tb,b,tr,r,tq) +| NG*Leak * Output(tc,c) +| N * Translator(r,tq) +| NH1 * CatalystR(b,tr) +| NH2 * OutputR(c,tb) +| NH3 * End(i,tc) +| 0 * Helper(tr,r) +| 0 * Catalyst(tb,b) +) +def Fork3(N,NH1,NH2,NH3,NH4,NG,Leak,i,td,d,tc,c,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) +| N * Translator(r,tq) +| NH1 * Output1R(b,tr) +| NH2 * Output2R(c,tb) +| NH3 * Output3R(d,tc) +| NH4 * End(i,td) +| 0 * Helper(tr,r) +) +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * Rep_Join(r,tq) +| 0 * Signal_Join(fl,r) +) +def RepFork(N,NR,tc,c) = +( N * Output(tc,c) +| NR * Rep_Fork(tc,c) +| 0 * Signal_Fork(c,fl) +) + +(* DNA domains *) +dom t = {seq = CTGATC; bind=kt; unbind=ut} +dom u1 = {seq = CTTCAG; bind=ku1; unbind=ut} +dom u2 = {seq = CCATAC; bind=ku2; unbind=ut} +dom u3 = {seq = ATACCC; bind=ku3; unbind=ut} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} + +(* Components *) +def RepJoinBX(NR) = RepJoin(0.0,NR,rbx,u1) +def RepJoinBY(NR) = RepJoin(0.0,NR,rby,u1) +def RepJoinXY(NR) = RepJoin(0.0,NR,rxy,u1) +def JoinBX(NB,NX,NH,NG,Leak) = Join(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = Join(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = Join(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def Fork2B(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) | RepFork(NG*Leak,NR,u3,pb) ) +def ForkXY2B(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) | RepFork(NG*Leak,NR,t,b) ) +def Fork2X(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1) | RepFork(NG*Leak,NR,u3,px) ) +def Fork2Y(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1) | RepFork(NG*Leak,NR,u3,py) ) + +(* Circuits that have been measured *) +def JoinBX_AddB(N) = ( JoinBX(N*Xi*(1.0-badJoinBX_B),NMi,NMi,NGi,leakJoinBX_B) | RepJoinBX(NRi) ) +def JoinBX_AddX(N) = ( JoinBX(NMi,N*Xi*(1.0-badJoinBX_X),NMi,NGi,leakJoinBX_X) | RepJoinBX(NRi) ) +def JoinBX_AddH(N) = ( JoinBX(NMi,NMi,N*Xi*(1.0-badJoinBX_H),NGi,leakJoinBX_H) | RepJoinBX(NRi) ) +def JoinBY_AddB(N) = ( JoinBY(N*Xi*(1.0-badJoinBY_B),NMi,NMi,NGi,leakJoinBY_B) | RepJoinBY(NRi) ) +def JoinBY_AddY(N) = ( JoinBY(NMi,N*Xi*(1.0-badJoinBY_Y),NMi,NGi,leakJoinBY_Y) | RepJoinBY(NRi) ) +def JoinBY_AddH(N) = ( JoinBY(NMi,NMi,N*Xi*(1.0-badJoinBY_H),NGi,leakJoinBY_H) | RepJoinBY(NRi) ) +def JoinXY_AddX(N) = ( JoinXY(N*Xi*(1.0-badJoinXY_X),NMi,NMi,NGi,leakJoinXY_X) | RepJoinXY(NRi) ) +def JoinXY_AddY(N) = ( JoinXY(NMi,N*Xi*(1.0-badJoinXY_Y),NMi,NGi,leakJoinXY_Y) | RepJoinXY(NRi) ) +def JoinXY_AddH(N) = ( JoinXY(NMi,NMi,N*Xi*(1.0-badJoinXY_H),NGi,leakJoinXY_H) | RepJoinXY(NRi) ) +def Fork2B_AddR(N) = ( Fork2B(N*Xi*(1.0-badFork2B_R ),NMi,NMi,NMi,NMi,NGi,leakFork2B_R,NRi) ) +def Fork2B_AddH1(N) = ( Fork2B(NMi,N*Xi*(1.0-badFork2B_H1),NMi,NMi,NMi,NGi,leakFork2B_H1,NRi) ) +def Fork2B_AddH2(N) = ( Fork2B(NMi,NMi,N*Xi*(1.0-badFork2B_H2),NMi,NMi,NGi,leakFork2B_H2,NRi) ) +def Fork2X_AddR(N) = ( Fork2X(N*Xi*(1.0-badFork2X_R ),NMi,NMi,NMi,NMi,NGi,leakFork2X_R,NRi) ) +def Fork2X_AddH1(N) = ( Fork2X(NMi,N*Xi*(1.0-badFork2X_H1),NMi,NMi,NMi,NGi,leakFork2X_H1,NRi) ) +def Fork2X_AddH2(N) = ( Fork2X(NMi,NMi,N*Xi*(1.0-badFork2X_H2),NMi,NMi,NGi,leakFork2X_H2,NRi) ) +def Fork2Y_AddR(N) = ( Fork2Y(N*Xi*(1.0-badFork2Y_R ),NMi,NMi,NMi,NMi,NGi,leakFork2Y_R,NRi) ) +def Fork2Y_AddH1(N) = ( Fork2Y(NMi,N*Xi*(1.0-badFork2Y_H1),NMi,NMi,NMi,NGi,leakFork2Y_H1,NRi) ) +def Fork2Y_AddH2(N) = ( Fork2Y(NMi,NMi,N*Xi*(1.0-badFork2Y_H2),NMi,NMi,NGi,leakFork2Y_H2,NRi) ) +def XY2B(Nx,Ny,X,NH,NG,NR) = ( JoinXY(X*Nx*(1.0-badXY2B_X),X*Ny*(1.0-badXY2B_Y),NH,NG,leakXY2B_J) | ForkXY2B(0.0,NH,NH,NH,NH,NG,leakXY2B_F,NR) ) +def BX2X(N,X,NH,NG,NR) = ( JoinBX(X*(1.0-badBX2X_B),X*N*(1.0-badBX2X_B),NH,NG,leakBX2X_J) | Fork2X(0.0,NH,NH,NH,NH,NG,leakBX2X_F,NR) ) +def BY2Y(N,X,NH,NG,NR) = ( JoinBY(X*(1.0-badBY2Y_B),X*N*(1.0-badBY2Y_B),NH,NG,leakBY2Y_J) | Fork2Y(0.0,NH,NH,NH,NH,NG,leakBY2Y_F,NR) ) +def AM(Nx,Ny) = ( XY2B(Nx,Ny,Xm,NHm,NGm,NRm) | BX2X(0.0,0.0,NHm,NGm,NRm) | BY2Y(0.0,0.0,NHm*1.2,NGm*1.2,NRm) | NHm * 0.8 * End(ig, t) (* *) ) + +(* Specify circuit regime *) +def N = 0.4 +def Nx = 0.3 +def Ny = 0.7 +AM(Nx,Ny) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Parameterized.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Parameterized.crn new file mode 100644 index 0000000..a33aca6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Parameterized.crn @@ -0,0 +1,121 @@ +directive sample 0.0,(15.0 * 3600.0) 500 +directive plot ""; ""; "" +directive simulation deterministic +directive parameters + [ kF1_YY = 4.3095E-06 + ; kJ1 = 7.9236E-06 + ; kJ1r = 8.2974E-05 + ; kJ2 = 0.00012138 + ; kJ2r = 1.0223E-06 + ; kJ3 = 0.0005016 + ; kJ3r = 1.0123E-06 + ; kF1 = 1.2721E-05 + ; kF1r = 0.00023276 + ; kF2 = 5.653E-05 + ; kF2r = 0.00012561 + ; kF3 = 7.4418E-05 + ; kF3r = 1.0293E-06 + ; kF4 = 1.3428E-06 + ; kF5 = 0.00097709 + ; X = 80.0 + ; NG = 160.0 + ; NH = 160.0 + ; Nx = 0.7 + ; leakXY2B_J = 0.0172 + ; leakXY2B_F = 0.009 + ; leakBX2X_J = 0.0114 + ; leakBX2X_F = 2.2677E-06 + ; leakBY2Y_J = 0.0105 + ; leakBY2Y_F = 0.0154 + ; badXY2B_X = 3.5686E-05 + ; badXY2B_Y = 7.6834E-05 + ; badBX2X_B = 0.1504 + ; badBX2X_X = 0.1195 + ; badBY2Y_B = 1.0204E-05 + ; badBY2Y_Y = 0.25 ] +directive sweep mysweep = + { Nx = [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9] } + +init "" ((X * (1.0 - Nx)) * (1.0 - badXY2B_Y)) | +init "" (4.0 * NH) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" (NG * (1.0 - leakXY2B_F)) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" (NG * (1.0 - leakBX2X_F)) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" ((NG * 1.2) * (1.0 - leakBY2Y_F)) | +init "" NH | +init "" NH | +init "" (NH * 1.2) | +init "" ((X * Nx) * (1.0 - badXY2B_X)) | +init "" 0.0 | +init "{t^*}[x t^]:[y t^]:[rxy u1^]" (NG * (1.0 - leakXY2B_J)) | +init "[t^ x]{t^*}:[y t^]:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]{t^*}:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" 0.0 | +init "" (NG * leakXY2B_J) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b t^]:[x t^]:[rbx u1^]" (NG * (1.0 - leakBX2X_J)) | +init "[t^ b]{t^*}:[x t^]:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]{t^*}:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" 0.0 | +init "" (NG * leakBX2X_J) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b t^]:[y t^]:[rby u1^]" ((NG * 1.2) * (1.0 - leakBY2Y_J)) | +init "[t^ b]{t^*}:[y t^]:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]{t^*}:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]:[t^ rby]{u1^*}" 0.0 | +init "" ((NG * 1.2) * leakBY2Y_J) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" 0.0 | +init "" (NH * 1.2) | +init "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" 0.0 | +init "" (NH * 1.2) | +init "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" (NH * 1.2) | +init "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +"" + "[t^ x]:[t^ y]{t^*}:[rxy u1^]" <->{kJ3}{kJ3r} "" + "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" | +"" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" <->{kF1}{kF1r} "" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" | +"" + "[t^ x]{t^*}:[y t^]:[rxy u1^]" <->{kJ2}{kJ2r} "" + "[t^ x]:[t^ y]{t^*}:[rxy u1^]" | +"" + "{t^*}[x t^]:[y t^]:[rxy u1^]" <->{kJ1}{kJ1r} "" + "[t^ x]{t^*}:[y t^]:[rxy u1^]" | +"" + "[t^ b]{t^*}:[x t^]:[rbx u1^]" <->{kJ2}{kJ2r} "" + "[t^ b]:[t^ x]{t^*}:[rbx u1^]" | +"" + "[t^ b]:[t^ x]{t^*}:[rbx u1^]" <->{kJ3}{kJ3r} "" + "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" | +"" + "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" <->{kF1}{kF1r} "" + "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" | +"" + "{t^*}[b t^]:[x t^]:[rbx u1^]" <->{kJ1}{kJ1r} "" + "[t^ b]{t^*}:[x t^]:[rbx u1^]" | +"" + "{t^*}[b t^]:[y t^]:[rby u1^]" <->{kJ1}{kJ1r} "" + "[t^ b]{t^*}:[y t^]:[rby u1^]" | +"" + "[t^ b]{t^*}:[y t^]:[rby u1^]" <->{kJ2}{kJ2r} "" + "[t^ b]:[t^ y]{t^*}:[rby u1^]" | +"" + "[t^ b]:[t^ y]{t^*}:[rby u1^]" <->{kJ3}{kJ3r} "" + "[t^ b]:[t^ y]:[t^ rby]{u1^*}" | +"" + "[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" <->{kF1_YY}{kF1r} "" + "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" | +"" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" | +"" + "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" | +"" + "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" | +"" + "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" | +"" + "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" ->{kF5} "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"" + "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" | +"" + "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" ->{kF5} "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" | +"" + "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" | +"" + "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" ->{kF5} "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Parameterized.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Parameterized.dna new file mode 100644 index 0000000..5ca5627 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Consensus Parameterized.dna @@ -0,0 +1,122 @@ +directive sample 15.0*3600.0 500 +directive compilation infinite +directive declare +directive simulation deterministic +directive plot ; ; + +directive parameters [ + (* Rates *) + kF1_YY = 4.3095e-06; + kJ1 = 7.9236e-06; + kJ1r = 8.2974e-05; + kJ2 = 1.2138e-04; + kJ2r = 1.0223e-06; + kJ3 = 5.0160e-04; + kJ3r = 1.0123e-06; + kF1 = 1.2721e-05; + kF1r = 2.3276e-04; + kF2 = 5.6530e-05; + kF2r = 1.2561e-04; + kF3 = 7.4418e-05; + kF3r = 1.0293e-06; + kF4 = 1.3428e-06; + kF5 = 9.7709e-04; + + (* Concentrations *) + X = 80.0; NG = 160.0; NH = 160.0; + + (* Initial conditions *) + Nx = 0.7; + + (* Leak parameters *) + leakXY2B_J = 0.0172; leakXY2B_F = 0.0090; + leakBX2X_J = 0.0114; leakBX2X_F = 2.2677e-06; + leakBY2Y_J = 0.0105; leakBY2Y_F = 0.0154; + badXY2B_X = 3.5686e-05; badXY2B_Y = 7.6834e-05; + badBX2X_B = 0.1504; badBX2X_X = 0.1195; + badBY2Y_B = 1.0204e-05; badBY2Y_Y = 0.2500 +] + +(* Sweep over different input values *) +directive sweep mysweep = { Nx = [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9] } + +new t@0.0,0.0 new u1@0.0,0.0 new u2@0.0,0.0 new u3@0.0,0.0 +new b new x new y new rbx new rby new rxy +new pb new px new py new ig +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = + +def Translator(r,tq) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Join(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def JoinAB(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| rxn + Join(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join1(ta,a,tb,b,tr,r,tq) +| rxn + Join1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join2(ta,a,tb,b,tr,r,tq) +| rxn + Join2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join3(ta,a,tb,b,tr,r,tq) +) +def ForkXYZ(N,NH1,NH2,NH3,NH4,NG,Leak,i,tz,z,ty,y,tx,x,tr,r,tq,k1) = +( NG*(1.0-Leak) * Fork(i,tz,z,ty,y,tx,x,tr,r,tq) +| N * Translator(r,tq) +| NH1 * Output1R(x,tr) +| NH2 * Output2R(y,tx) +| NH3 * Output3R(z,ty) +| NH4 * End(i,tz) +| rxn + Fork(i,tz,z,ty,y,tx,x,tr,r,tq) <->{k1,kF1r} + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF2,kF2r} + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF3,kF3r} + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF4,kF2r} + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) ->{kF5} Fork5(i,tz,z,ty,y,tx,x,tr,r,tq) + +) + +(* Components *) +def JoinBX(NB,NX,NH,NG,Leak) = JoinAB(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = JoinAB(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = JoinAB(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def ForkBB(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF1) +def ForkXX(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF1) +def ForkYY(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF1_YY) + +(* Circuits *) +def XY2B(Nx,Ny,X,NH,NG) = +( JoinXY(X*Nx*(1.0-badXY2B_X),X*Ny*(1.0-badXY2B_Y),NH,NG,leakXY2B_J) +| ForkBB(0.0,NH,NH,NH,NH,NG,leakXY2B_F) ) +def BX2X(N,X,NH,NG) = +( JoinBX(X*(1.0-badBX2X_B),X*N*(1.0-badBX2X_B),NH,NG,leakBX2X_J) +| ForkXX(0.0,NH,NH,NH,NH,NG,leakBX2X_F) ) +def BY2Y(N,X,NH,NG) = +( JoinBY(X*(1.0-badBY2Y_B),X*N*(1.0-badBY2Y_B),NH,NG,leakBY2Y_J) +| ForkYY(0.0,NH,NH,NH,NH,NG,leakBY2Y_F) ) +def AM() = +( XY2B(Nx,1.0-Nx,X,NH,NG) +| BX2X(0.0,0.0,NH,NG) +| BY2Y(0.0,0.0,NH*1.2,NG*1.2) +| NH * 0.8 * ) + +(* Specify circuit regime *) +def N = 0.4 +(*BX2X(N,X,NH,NG)*) +AM() diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Cross Catalytic.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Cross Catalytic.crn new file mode 100644 index 0000000..f74044f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Cross Catalytic.crn @@ -0,0 +1,56 @@ +directive plot ""; ""; "" + +init "" 10.0 | +init "" 10.0 | +init "[x^ y^ S7]:[S8^ S9a x^]{y^*}" 10.0 | +init "[x^ y^ S7]:[S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7]:[S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" 10.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" 0.0 | +init "" 5.0 | +init "[x^ y^ S7]:[S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c]{S3^*}:[S4a^ x^ y^]" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]{y^*}" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]:[y^]" 0.0 | +init "" 5.0 | +init "[x^ y^ S7]:[S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7]{S8^*}:[S9a x^ y^]" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]{y^*}" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]:[y^]" 0.0 | +init "" 0.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]:[y^]" 0.0 | +init "" 0.0 | +init "[S6 S3^]{S4a^*}" 10.0 | +init "[S6 S3^]:[S4a^]" 0.0 | +init "[S6 S3^ S4a^]" 0.0 | +init "" 0.0 | +"[x^ y^ S7]:[S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7]:[S8^ S9a x^]:[y^]" | +"[x^ y^ S7]:[S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7]:[S8^ S9a x^]:[y^]" | +"[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" | +"[x^ y^ S7]:[S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7]:[S8^ S9a x^]:[y^]" | +"[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c]{S3^*}:[S4a^ x^ y^]" + "" ->{0.00042} "[x^ y^ S2c S3^ S4a^ x^]:[y^]" + "" | +"[x^ y^ S2c S3^ S4a^ x^]:[y^]" <->{0.004}{0.00065} "[x^ y^ S2c S3^ S4a^ x^]{y^*}" + "" | +"[x^ y^ S2c S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c S3^ S4a^ x^]:[y^]" | +"[x^ y^ S7]:[S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7]:[S8^ S9a x^]:[y^]" | +"[x^ y^ S7]{S8^*}:[S9a x^ y^]" + "" ->{0.0005} "[x^ y^ S7 S8^ S9a x^]:[y^]" + "" | +"[x^ y^ S7 S8^ S9a x^]:[y^]" <->{0.004}{0.00065} "[x^ y^ S7 S8^ S9a x^]{y^*}" + "" | +"[x^ y^ S7 S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7 S8^ S9a x^]:[y^]" | +"[x^ y^ S7 S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7 S8^ S9a x^]:[y^]" | +"[x^ y^ S7 S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7 S8^ S9a x^]:[y^]" | +"[x^ y^ S7]:[S8^ S9a x^]:[y^]" <->{0.00019}{0.0005} "[x^ y^ S7]{S8^*}:[S9a x^ y^]" + "" | +"[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" <->{0.04}{0.00042} "[x^ y^ S2c]{S3^*}:[S4a^ x^ y^]" + "" | +"[S6 S3^]{S4a^*}" + "" ->{0.0003} "[S6 S3^ S4a^]" + "" | +"[S6 S3^]{S4a^*}" + "" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Cross Catalytic.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Cross Catalytic.dna new file mode 100644 index 0000000..6819dfd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Cross Catalytic.dna @@ -0,0 +1,31 @@ +(* Circuit which cross catalyzes between Substrate0 and Substrate1, from Fig S10 *) +directive plot catalyst0(); catalyst1(); + +dom S1 = { seq=CTTTCCTACA } +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} + +dom x = {seq=CCTACG} +dom y = {seq=TCTCCA; bind=6.5E-4; unbind = 4.0E-3} + +def Fuel0() = < x^ y^ S7 S8^ S9a x^> +def Substrate0() = [x^ y^ S7]:[S8^ S9a x^]{y^*} +def Fuel1() = +def Substrate1() = [x^ y^ S2c]:[S3^ S4a^ x^]{y^*} + +def catalyst0() = +def catalyst1() = + +def crosscatalytic(N,M) = + (N* Fuel0() | N* Substrate0() | + N* Fuel1() | N* Substrate1() | + M* catalyst0() | M*catalyst1()) + +def reporter(N) = N * [S6 S3^]{S4a^*} + +(crosscatalytic(10,5) | reporter(10) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/DnaToolbox.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/DnaToolbox.crn new file mode 100644 index 0000000..60a8dd2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/DnaToolbox.crn @@ -0,0 +1,149 @@ +directive sample 0.0,250000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; unbind = 0.1126 + ; Cmax = 1000.0 ] + + event "" 1.0 @ 200000.0 +| event "" 2.0 @ 150000.0 +| event "" (2.0 * x0) @ 100000.0 +| event "" (2.0 * x0) @ 50000.0 +| init "" 0.0 +| init "" 0.0 +| init "" x0 +| init "" 0.0 +// | init "{r^* e^*}" Cmax +| init "" 0.0 // (3.0 * Cmax) +// | init "{e^* x^*}" Cmax +// | init "" Cmax +// | init "{e^* v^*}" Cmax +| init "" 0.0 // (3.0 * Cmax) +// | init "{x^* v^*}" Cmax +// | init "{r^ e^}" Cmax +| init "" 0.0 // (3.0 * Cmax) +// | init "{e^ x^}" Cmax +// | init "" Cmax +// | init "{e^ v^}" Cmax +| init "" 0.0 // (3.0 * Cmax) +// | init "{x^ v^}" Cmax +// | init "{y^* e^}" Cmax +// | init "{e^* e^}" Cmax +// | init "{v^* v^}" Cmax +// | init "{y^ e^*}" Cmax +// | init "{e^ e^*}" Cmax +// | init "{v^ v^*}" Cmax +| init "" 0.0 +| init "" 0.0 +| init "" 0.0 +| init "" 0.0 +| init "" 0.0 +| init "" 0.0 +| init "[v^* v^]" 0.0 +| init "[v^ v^*]" 0.0 +| init "[x^* v^*]" 0.0 +| init "[x^ v^]" 0.0 +| init "[e^* v^*]" 0.0 +| init "[e^ v^]" 0.0 +| init "[e^* x^*]" 0.0 +| init "[e^ x^]" 0.0 +| init "[e^* e^]" 0.0 +| init "[e^ e^*]" 0.0 +| init "[y^* e^]" 0.0 +| init "[y^ e^*]" 0.0 +| init "[r^* e^*]" 0.0 +| init "[r^ e^]" 0.0 +| init "{r^*}[e^]" Cmax +| init "[r^]:[e^]" 0.0 +| init "{r^}[e^*]" Cmax +| init "[r^*]:[e^*]" 0.0 +| init "{y^*}[e^*]" Cmax +| init "[y^]:[e^*]" 0.0 +| init "{y^}[e^]" Cmax +| init "[y^*]:[e^]" 0.0 +| init "{e^*}[e^*]" Cmax +| init "[e^]:[e^*]" 0.0 +| init "{e^}[e^]" Cmax +| init "[e^*]:[e^]" 0.0 +| init "{e^*}[x^]" Cmax +| init "[e^]:[x^]" 0.0 +| init "{e^}[x^*]" Cmax +| init "[e^*]:[x^*]" 0.0 +| init "{e^*}[v^]" Cmax +| init "[e^]:[v^]" 0.0 +| init "{e^}[v^*]" Cmax +| init "[e^*]:[v^*]" 0.0 +| init "{x^*}[v^]" Cmax +| init "[x^]:[v^]" 0.0 +| init "{x^}[v^*]" Cmax +| init "[x^*]:[v^*]" 0.0 +| init "{v^*}[v^*]" Cmax +| init "[v^]:[v^*]" 0.0 +| init "{v^}[v^]" Cmax +| init "[v^*]:[v^]" 0.0 +| init "[x^]" 0.0 +| init "[r^]" 0.0 +| init "[y^]" 0.0 +| init "[v^]" 0.0 +| init "[e^]" 0.0 +| +"" + "{r^*}[e^]" <->{bind}{unbind} "[r^]:[e^]" | +"[r^]:[e^]" ->{pol} "[r^ e^]" + "" | +"[r^ e^]" ->{nick} "[r^]:[e^]" | +"" + "{r^}[e^*]" <->{bind}{unbind} "[r^*]:[e^*]" | +"[r^*]:[e^*]" ->{pol} "[r^* e^*]" + "" | +"[r^* e^*]" ->{nick} "[r^*]:[e^*]" | +"" + "{y^*}[e^*]" <->{bind}{unbind} "[y^]:[e^*]" | +"[y^]:[e^*]" ->{pol} "[y^ e^*]" + "" | +"[y^ e^*]" ->{nick} "[y^]:[e^*]" | +"" + "{y^}[e^]" <->{bind}{unbind} "[y^*]:[e^]" | +"[y^*]:[e^]" ->{pol} "[y^* e^]" + "" | +"[y^* e^]" ->{nick} "[y^*]:[e^]" | +"" + "{e^*}[e^*]" <->{bind}{unbind} "[e^]:[e^*]" | +"[e^]:[e^*]" ->{pol} "[e^ e^*]" + "" | +"[e^ e^*]" ->{nick} "[e^]:[e^*]" | +"" + "{e^}[e^]" <->{bind}{unbind} "[e^*]:[e^]" | +"[e^*]:[e^]" ->{pol} "[e^* e^]" + "" | +"[e^* e^]" ->{nick} "[e^*]:[e^]" | +"" + "{e^*}[x^]" <->{bind}{unbind} "[e^]:[x^]" | +"[e^]:[x^]" ->{pol} "[e^ x^]" + "" | +"[e^ x^]" ->{nick} "[e^]:[x^]" | +"" + "{e^}[x^*]" <->{bind}{unbind} "[e^*]:[x^*]" | +"[e^*]:[x^*]" ->{pol} "[e^* x^*]" + "" | +"[e^* x^*]" ->{nick} "[e^*]:[x^*]" | +"" + "{e^*}[v^]" <->{bind}{unbind} "[e^]:[v^]" | +"[e^]:[v^]" ->{pol} "[e^ v^]" + "" | +"[e^ v^]" ->{nick} "[e^]:[v^]" | +"" + "{e^}[v^*]" <->{bind}{unbind} "[e^*]:[v^*]" | +"[e^*]:[v^*]" ->{pol} "[e^* v^*]" + "" | +"[e^* v^*]" ->{nick} "[e^*]:[v^*]" | +"" + "{x^*}[v^]" <->{bind}{unbind} "[x^]:[v^]" | +"[x^]:[v^]" ->{pol} "[x^ v^]" + "" | +"[x^ v^]" ->{nick} "[x^]:[v^]" | +"" + "{x^}[v^*]" <->{bind}{unbind} "[x^*]:[v^*]" | +"[x^*]:[v^*]" ->{pol} "[x^* v^*]" + "" | +"[x^* v^*]" ->{nick} "[x^*]:[v^*]" | +"" + "{v^*}[v^*]" <->{bind}{unbind} "[v^]:[v^*]" | +"[v^]:[v^*]" ->{pol} "[v^ v^*]" + "" | +"[v^ v^*]" ->{nick} "[v^]:[v^*]" | +"" + "{v^}[v^]" <->{bind}{unbind} "[v^*]:[v^]" | +"[v^*]:[v^]" ->{pol} "[v^* v^]" + "" | +"[v^* v^]" ->{nick} "[v^*]:[v^]" | +"" + "" ->{ann} "[x^]" | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} "[r^]" | +"" + "" ->{ann} "[y^]" | +"" + "" ->{ann} "[v^]" | +"" + "" ->{ann} "[e^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/DnaToolbox.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/DnaToolbox.dna new file mode 100644 index 0000000..dbf8b26 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/DnaToolbox.dna @@ -0,0 +1,229 @@ +(*------------------ DnaToolbox implementation ------------------*) + +(*------------------ Instructions -------------------------------*) +(* Press "Graphics" (not "Simulate") *) +(* Then press "Simulate" in the tab Compilation -> Text *) +(* (on the right side; it is likely to have just gotten focus) *) +(*---------------------------------------------------------------*) + +(*------------------ Settings -----------------------------------*) +directive sample 500000.0 1000 +directive compilation infinite +directive simulation deterministicstiff +(* PI Controller settings *) +directive duration 250000.0 points 1000 +directive plot + sub (; ); + sub (; ); + sub (; ); + sub (; ) + +directive event 2.0*x0 @ 50000.0 +directive event 2.0*x0 @ 100000.0 +directive event 2.0 @ 150000.0 +directive event 1.0 @ 200000.0 + +(* +directive duration 500000.0 points 1000 +directive event 2*x0 @ 50000.0 +directive event 2*x0 @ 100000.0 +directive event 2*x0 @ 150000.0 +directive event 2*x0 @ 200000.0 +directive event 2*x0 @ 250000.0 +directive event 2*x0 @ 300000.0 +directive event 2*x0 @ 350000.0 +directive event 2*x0 @ 400000.0 +directive event 2*x0 @ 450000.0 +*) + +(* Circuit component settings (no events) +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() +*) + +directive parameters + [ deg = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4e-6 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ] + +new x@bind,unbind +new r@bind,unbind +new e@bind,unbind +new v@bind,unbind +new y@bind,unbind + +def R() = (* Signal(r) *) +def R'() = (* Signal'(r) *) +def E() = (* Signal(e) *) +def E'() = (* Signal'(e) *) +def V() = (* Signal(v) *) +def V'() = (* Signal'(v) *) +def Y() = (* Signal(y) *) +def Y'() = (* Signal'(y) *) +def X() = +def X'() = +def Load() = +def Load'() = + +(* Species *) +def Signal(x) = +def Signal'(x) = +def Template(x,y) = [x^]:[y^] +def Template'(x,y) = [x^*]:[y^*] +def TemplateOff(x,y) = {x^*}[y^] +def TemplateOff'(x,y) = {x^}[y^*] +def TemplateDS(x,y) = [x^ y^] +def TemplateDS'(x,y) = [x^* y^*] + +def TemplateOffInv(x,y) = {x^*}[y^*] +def TemplateOffInv'(x,y) = {x^}[y^] +def TemplateInv(x,y) = [x^]:[y^*] +def TemplateInv'(x,y) = [x^*]:[y^] +def TemplateDSInv(x,y) = [x^ y^*] +def TemplateDSInv'(x,y) = [x^* y^] + +(*------------------ Basic Reactions -----------------------*) +def Catalysis(k,x,y) = (* x -> x + y *) +( Cmax*k * TemplateOff(x,y) +| rxn Signal(x) + TemplateOff(x,y) <->{bind}{unbind} Template(x,y) +| rxn Template(x,y) ->{pol} TemplateDS(x,y) + Signal(y) +| rxn TemplateDS(x,y) ->{nick} Template(x,y) +) +def Catalysis'(k,x,y) = (* x' -> x' + y' *) +( Cmax*k * TemplateOff'(x,y) +| rxn Signal'(x) + TemplateOff'(x,y) <->{bind}{unbind} Template'(x,y) +| rxn Template'(x,y) ->{pol} TemplateDS'(x,y) + Signal'(y) +| rxn TemplateDS'(x,y) ->{nick} Template'(x,y) +) +def CatalysisInv(k,x,y) = (* x -> x + y' *) +( Cmax*k * TemplateOffInv(x,y) +| rxn Signal(x) + TemplateOffInv(x,y) <->{bind}{unbind} TemplateInv(x,y) +| rxn TemplateInv(x,y) ->{pol} TemplateDSInv(x,y) + Signal'(y) +| rxn TemplateDSInv(x,y) ->{nick} TemplateInv(x,y) +) +def CatalysisInv'(k,x,y) = (* x' -> x' + y *) +( Cmax*k * TemplateOffInv'(x,y) +| rxn Signal'(x) + TemplateOffInv'(x,y) <->{bind}{unbind} TemplateInv'(x,y) +| rxn TemplateInv'(x,y) ->{pol} TemplateDSInv'(x,y) + Signal(y) +| rxn TemplateDSInv'(x,y) ->{nick} TemplateInv'(x,y) +) +def Degradation(k,x) = CatalysisInv(1.0/k,x,x) +def Degradation'(k,x) = CatalysisInv'(1.0/k,x,x) + +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Annihilation(x) = + rxn Signal(x) + Signal'(x) ->{ann} [x^] + +(*------------------ Blocks --------------------------------*) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Load() + Signal(y) ->{0.01} Load() +| rxn Load'() + Signal'(y) ->{0.01} Load'() +| rxn Load() + Load'() ->{1.0} +) +def Plottables() = +( 0 * R() +| 0 * R'() +| 0 * V() +| 0 * V'() +| 0 * Y() +| 0 * Y'() +| 0 * Load() +| 0 * Load'() +) + +(*------------------ Full system ----------------------------*) +def System() = +( Plottables() +| x0 * R() +| PI(1.0,1.0,r,y,v) +| Plant(v,y) +| Annihilation(r) +| Annihilation(y) +| Annihilation(v) +| Annihilation(e) +) + +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +| Annihilation(x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) + +(*------------------ Run -------------------------------------*) + +System() +(* +TestAnnihilation() +TestCatalysis() +TestDegradation() +System() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout (Localized).crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout (Localized).crn new file mode 100644 index 0000000..2ff7908 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout (Localized).crn @@ -0,0 +1,16 @@ +directive sample 0.0,3600.0 2000 +directive plot "" + +init "" 1.0 | +init "{tA^*}[Aa]:[Ab tC^]" 2.0 | +init "" 1.0 | +init "[tA^ Aa Ab]{tC^*}" 0.0 | +init "{tA^*}[Aa Ab tC^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tC^*}[Ca Cb]" 10.0 | +init "[tC^ Ca Cb]" 0.0 | +"{tA^*}[Aa]:[Ab tC^]" + "" ->{0.0003} "[tA^ Aa Ab]{tC^*}" + "" + "" | +"[tA^ Aa Ab]{tC^*}" + "" <->{0.0003}{0.0003} "{tA^*}[Aa Ab tC^]" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout (Localized).dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout (Localized).dna new file mode 100644 index 0000000..68662e9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout (Localized).dna @@ -0,0 +1,171 @@ + (*------------------------------------------------------------------------------------ + Circuit : FANOUT Gate + Notes : Use Compilation: Infinite; + Source : [1] + Modified by : Boyan Yordanov + + Biological Computation Group + Microsoft Research + Cambridge UK + 2013 + + [1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization + circuits. DNA17, pages 64{83, 2011. + ------------------------------------------------------------------------------------*) + + +(******************************************** +* SPECIFICATIONS +********************************************) + + +(********************************************** +* Specification 1: Correctness example +*********************************************** +$init[0] and $terminal[10] and $FanoutSpec[10]; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; +************************************************) + + +(********************************************** +* Specification 2: Counter-example for default initial conditions +*********************************************** +directive abstraction connected; +$init[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT<=OUTPUT[0])}; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; +************************************************) + +(********************************************** +* Specification 3: Counter-example for generalized initial conditions with a single input +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +INPUT <= 1 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; + + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT <=OUTPUT[0])}; +************************************************) + + +(********************************************** +* Specification 4: Counter-example for generalized initial conditions with multiple inputs +*********************************************** +$InitialConditions[0] and $terminal[10] and not $FanoutSpec[10]; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; +************************************************) + + +(********************************************** +* Specification 5: Counter-example for modified specification +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec2[1]; + +$FanoutSpec2 :={ +(INPUT[0]=0 => OUTPUT=0) and +(INPUT[0]>0 => (OUTPUT = FANOUT[0]+INPUT[0]))}; + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT<=OUTPUT[0])}; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; +************************************************) + + +(******************************************** +* CIRCUIT +********************************************) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * | Degree * {Ti^*}[Inputa]:[Inputb To^] ) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( + 0 * OUTPUT() +|1 * INPUT() +|1 * FANOUT(tA, Aa, Ab, tC, Ca, Cb, 2) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout.crn new file mode 100644 index 0000000..f5ac648 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout.crn @@ -0,0 +1,20 @@ +directive sample 0.0,3600.0 2000 +directive plot "" + +init "{tA^*}[Aa]:[Ab tC^]:[Fa]:[Fb tC^]" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "[tA^ Aa Ab]{tC^*}:[Fa]:[Fb tC^]" 0.0 | +init "[tA^ Aa Ab]:[tC^ Fa Fb]{tC^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tC^*}[Ca Cb]" 10.0 | +init "[tC^ Ca Cb]" 0.0 | +init "[tC^ Ca Cb]" 0.0 | +"{tA^*}[Aa]:[Ab tC^]:[Fa]:[Fb tC^]" + "" ->{0.0003} "[tA^ Aa Ab]{tC^*}:[Fa]:[Fb tC^]" + "" + "" | +"[tA^ Aa Ab]{tC^*}:[Fa]:[Fb tC^]" + "" ->{0.0003} "[tA^ Aa Ab]:[tC^ Fa Fb]{tC^*}" + "" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout.dna new file mode 100644 index 0000000..a3762e2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Fanout.dna @@ -0,0 +1,90 @@ +(*------------------------------------------------------------------------------------ +Circuit : Modified FANOUT Gate +Notes : Use Compilation: Infinite; +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(******************************************** +* SPECIFICATIONS +********************************************) + +(********************************************** +* Specification 1: Fanout of degree 2 +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$FanoutSpec :={ + OUTPUT = 2*INPUT[0]}; + +$InitialConditions := { + REPORTER > 2*INPUT and + OUTPUT = 0 and + FANOUT_1 > 2*INPUT and + FANOUT > INPUT and + sp_2 = 0 and + sp_5 = 0 and + sp_4 = 0 and + sp_3 = 0 and + sp_6 = 0 and + sp_1 = 0 and + sp_0 = 0 and + sp_7 = 0}; +************************************************) + + +(******************************************** +* CIRCUIT +********************************************) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def FANOUT(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( + 0 * OUTPUT() +|1 * INPUT() +|1 * FANOUT(tA, Aa, Ab, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Feed Forward.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Feed Forward.crn new file mode 100644 index 0000000..128c288 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Feed Forward.crn @@ -0,0 +1,37 @@ +directive plot ""; ""; "" + +init "" 100.0 | +init "" 100.0 | +init "" 100.0 | +init "[S1 S2a]{S2b^*}" 100.0 | +init "[S1 S2a]:[S2b^]" 0.0 | +init "[S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*}" 100.0 | +init "[S4b^ S5^ S7]:[S8^ S9a S9b^]:[S10^]" 0.0 | +init "[S4b^ S5^ S7]{S8^*}:[S9a S9b^ S10^]" 0.0 | +init "[S4b^ S5^ S7 S8^ S9a S9b^]:[S10^]" 0.0 | +init "[S4b^ S5^ S7 S8^ S9a S9b^]{S10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*}" 100.0 | +init "[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c S3^ S4a S4b^]{S5^*}" 0.0 | +init "[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" 0.0 | +init "" 0.0 | +init "[S1 S2a S2b^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[S1 S2a]{S2b^*}" + "" <->{0.00042}{0.04} "[S1 S2a]:[S2b^]" | +"[S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*}" + "" <->{0.00065}{0.004} "[S4b^ S5^ S7]:[S8^ S9a S9b^]:[S10^]" | +"[S4b^ S5^ S7]{S8^*}:[S9a S9b^ S10^]" + "" ->{0.0005} "[S4b^ S5^ S7 S8^ S9a S9b^]:[S10^]" + "" | +"[S4b^ S5^ S7 S8^ S9a S9b^]:[S10^]" <->{0.004}{0.00065} "[S4b^ S5^ S7 S8^ S9a S9b^]{S10^*}" + "" | +"[S4b^ S5^ S7]:[S8^ S9a S9b^]:[S10^]" <->{0.00019}{0.0005} "[S4b^ S5^ S7]{S8^*}:[S9a S9b^ S10^]" + "" | +"[S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" | +"[S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" | +"[S2a S2b^ S2c]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" + "" | +"[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" <->{0.004}{0.00065} "[S2a S2b^ S2c S3^ S4a S4b^]{S5^*}" + "" | +"[S2a S2b^ S2c S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" | +"[S1 S2a]{S2b^*}" + "" ->{0.00042} "[S1 S2a S2b^]" + "" | +"[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" <->{0.04}{0.00042} "[S2a S2b^ S2c]{S3^*}:[S4a S4b^ S5^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Feed Forward.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Feed Forward.dna new file mode 100644 index 0000000..7fa84fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Feed Forward.dna @@ -0,0 +1,31 @@ +(* A two-stage cascaded circuit, from Fig 3. *) +directive plot F0(); F1(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} (* x *) +dom S2b = { seq=TCTCCA; bind=4.2E-4; unbind=4.0E-2} (* y *) +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} (* x *) +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} +dom S9b = {seq=CCTACG} (* x *) +dom S10 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) + +def F0() = +def F1() = +def OBSB0() = [S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*} +def C0() = +def OBSB1() = [S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*} + +def Feedforward(N) = + ( N*F0() | N*OBSB0() | N*C0() | N*F1() | N*OBSB1() ) + +def FluorescingFeedforward(N) = + (Feedforward(N) | N*[S1 S2a]{S2b^*} ) + +FluorescingFeedforward(100) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Fluorescent Catalytic.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Fluorescent Catalytic.crn new file mode 100644 index 0000000..ee9b12a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Fluorescent Catalytic.crn @@ -0,0 +1,23 @@ +directive sample 0.0,7000.0 1000 +directive plot sum(""); "[S1 S2a]{S2b^*}"; "" +directive scale 500.0 + +init "" 10.0 | +init "" 15.0 | +init "[S1 S2a]{S2b^*}" 10.0 | +init "[S1 S2a]:[S2b^]" 0.0 | +init "[S2a S2b^ S2c]:[S3^ S4]{S5^*}" 10.0 | +init "[S2a S2b^ S2c]:[S3^ S4]:[S5^]" 0.0 | +init "[S2a S2b^ S2c]{S3^*}:[S4 S5^]" 0.0 | +init "[S2a S2b^ S2c S3^ S4]:[S5^]" 0.0 | +init "[S2a S2b^ S2c S3^ S4]{S5^*}" 0.0 | +init "" 0.0 | +init "[S1 S2a S2b^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[S1 S2a]{S2b^*}" + "" <->{0.0003}{0.1126} "[S1 S2a]:[S2b^]" | +"[S2a S2b^ S2c]:[S3^ S4]{S5^*}" + "" <->{0.00065}{0.004} "[S2a S2b^ S2c]:[S3^ S4]:[S5^]" | +"[S2a S2b^ S2c]{S3^*}:[S4 S5^]" + "" ->{0.00042} "[S2a S2b^ S2c S3^ S4]:[S5^]" + "" | +"[S2a S2b^ S2c S3^ S4]:[S5^]" <->{0.004}{0.00065} "[S2a S2b^ S2c S3^ S4]{S5^*}" + "" | +"[S1 S2a]{S2b^*}" + "" ->{0.0003} "[S1 S2a S2b^]" + "" | +"[S2a S2b^ S2c]:[S3^ S4]:[S5^]" <->{0.04}{0.00042} "[S2a S2b^ S2c]{S3^*}:[S4 S5^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Fluorescent Catalytic.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Fluorescent Catalytic.dna new file mode 100644 index 0000000..3c8d4c5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Fluorescent Catalytic.dna @@ -0,0 +1,31 @@ +(* A catalytic converter, with a fluorescent output and declared sequences, from Fig 1*) +directive duration 7000.0 points 1000 +directive scale 500.0 +directive plot Fuel _; Reporter(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} +dom S2b = { seq=TCTCCA} +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4 = { seq=CATTCAATACCCTACG} +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} +dom S6 = {seq=CCACATACATCATATT} + +def S2 = (S2a,S2b,S2c) + +def Fuel((ta,tb,tc)) = +def Substrate(o,(ta,tb,tc),s,t,r,f) = [ta tb^ tc]:[t^ r]:{f^*} +def Catalyst() = +def Reporter() = [S1 S2a]{S2b^*} + +def Catalytic(N) = + ( (N+5)*Fuel(S2) + | N*Substrate(S1,S2,S6,S3,S4,S5) + | N*Catalyst()) + +def FluoresingCatalytic(N) = + ( Catalytic(N) + | N*Reporter()) + + FluoresingCatalytic(10) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_And.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_And.crn new file mode 100644 index 0000000..ce46e96 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_And.crn @@ -0,0 +1,18 @@ +directive sample 0.0,3600.0 2000 +directive plot "" + +init "{tA^*}[Aa]:[Ab tB^]:[Ba]:[Bb tC^]" 10.0 | +init "" 0.0 | +init "[tA^ Aa Ab]{tB^*}:[Ba]:[Bb tC^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[tA^ Aa Ab]:[tB^ Ba Bb]{tC^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tC^*}[Ca Cb]" 10.0 | +init "[tC^ Ca Cb]" 0.0 | +"{tA^*}[Aa]:[Ab tB^]:[Ba]:[Bb tC^]" + "" ->{0.0003} "[tA^ Aa Ab]{tB^*}:[Ba]:[Bb tC^]" + "" + "" | +"[tA^ Aa Ab]{tB^*}:[Ba]:[Bb tC^]" + "" ->{0.0003} "[tA^ Aa Ab]:[tB^ Ba Bb]{tC^*}" + "" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_And.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_And.dna new file mode 100644 index 0000000..9d405f1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_And.dna @@ -0,0 +1,55 @@ + (*------------------------------------------------------------------------------------ +Circuit : AND Gate +Notes : Use Compilation: Infinite; +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( + 0 * OUTPUT() +|0 * INPUT_A() +|0 * INPUT_B() +|10 * AND(tA, Aa, Ab, tB, Ba, Bb, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_Or.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_Or.crn new file mode 100644 index 0000000..edaf51c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_Or.crn @@ -0,0 +1,21 @@ +directive sample 0.0,3600.0 2000 +directive plot "" + +init "" 0.0 | +init "" 0.0 | +init "{tB^*}[Ba]:[Bb tC^]" 10.0 | +init "[tB^ Ba Bb]{tC^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tA^*}[Aa]:[Ab tC^]" 10.0 | +init "[tA^ Aa Ab]{tC^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tC^*}[Ca Cb]" 10.0 | +init "[tC^ Ca Cb]" 0.0 | +init "[tC^ Ca Cb]" 0.0 | +"{tB^*}[Ba]:[Bb tC^]" + "" ->{0.0003} "[tB^ Ba Bb]{tC^*}" + "" + "" | +"{tA^*}[Aa]:[Ab tC^]" + "" ->{0.0003} "[tA^ Aa Ab]{tC^*}" + "" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_Or.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_Or.dna new file mode 100644 index 0000000..063f0a2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Formal Analysis_Or.dna @@ -0,0 +1,56 @@ +(*------------------------------------------------------------------------------------ +Circuit : OR Gate +Notes : Use Compilation: Infinite; +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( + 0 * OUTPUT() +|0 * INPUT_A() +|0 * INPUT_B() +|10 * OR(tA, Aa, Ab, tB, Ba, Bb, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Fuel-Less Threshold-Based Spatial AND Gate.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Fuel-Less Threshold-Based Spatial AND Gate.crn new file mode 100644 index 0000000..593b28a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Fuel-Less Threshold-Based Spatial AND Gate.crn @@ -0,0 +1,48 @@ +directive sample 0.0,40000.0 1000 +directive plot "" +directive simulation deterministic + +init "" 1.0 | +init "[[ [s*]{blank^> + | [s*]{y^> + | {tether(a, b) a0^*}[s]{x^> + | {tether(c, d) b0^*}[s]{x^> ]]" 1.0 | +init "[[ {tether(a, b)}[a0^ s]{x^ s} + | [s*]{blank^> + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" 0.0 | +init "{y^*}[s]{Q}" 1.0 | +init "" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[x^* s*]::[y^ s]{Q} + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" 0.0 | +"[[ [s*]{blank^> + | [s*]{y^> + | {tether(a, b) a0^*}[s]{x^> + | {tether(c, d) b0^*}[s]{x^> ]]" + "" ->{0.0003} "[[ {tether(a, b)}[a0^ s]{x^ s} + | [s*]{blank^> + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" | +"[[ {tether(a, b)}[a0^ s]{x^ s} + | [s*]{blank^> + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" ->{300.0} "[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" | +"[[ {tether(a, b)}[a0^ s]{x^ s} + | [s*]{blank^> + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" ->{30.0} "[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" + "{y^*}[s]{Q}" ->{0.0003} "" + "[[ {tether(a, b)}[a0^ s]:[x^* s*]::[y^ s]{Q} + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Fuel-Less Threshold-Based Spatial AND Gate.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Fuel-Less Threshold-Based Spatial AND Gate.dna new file mode 100644 index 0000000..8d9660d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Fuel-Less Threshold-Based Spatial AND Gate.dna @@ -0,0 +1,28 @@ +(* Simplified threshold-based spatial AND gate *) +directive sample 40000.0 1000 +directive polymers +directive simulation deterministic +directive localconcentrations [ (a, 1000000); (b, 100000); (c, 1000000); (d, 100000) ] +directive plot reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom b0 = { colour = "purple" } +dom blank = { colour = "black" } + +def input1() = +def input2() = +def probe() = {y^*}[s]{Q} +def reporter() = +def origami() = [[ {tether(a,b) a0^*}[s]{x^> + | {tether(c,d) b0^*}[s]{x^> + | [s*]{blank^> + | [s*]{y^> ]] + +( input1() +(*| input2()*) +| probe() +| origami() +| 0 * reporter() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Genelet.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Genelet.crn new file mode 100644 index 0000000..746fef0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Genelet.crn @@ -0,0 +1,126 @@ +directive sample 0.0,250000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 0.001 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; k = 0.05 ] + +event "" 1.0 @ 200000.0 | +event "" 2.0 @ 150000.0 | +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "" Cmax | +init "" (2.0 * Cmax) | +init "" Cmax | +init "" Cmax | +init "" (2.0 * Cmax) | +init "" Cmax | +init "" Cmax | +init "" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "[u^ rs]{t^*}:[prom e^ es]" Cmax | +init "[u^ es]{t^*}:[prom x^ xs]" Cmax | +init "[u^ es]{t^*}:[prom v^ vs]" Cmax | +init "[u^ xs]{t^*}:[prom v^ vs]" Cmax | +init "[u^ rs']{t^*}:[prom e^* es']" Cmax | +init "[u^ es']{t^*}:[prom x^* xs']" Cmax | +init "[u^ es']{t^*}:[prom v^* vs']" Cmax | +init "[u^ xs']{t^*}:[prom v^* vs']" Cmax | +init "[u^ ys]{t^*}:[prom e^* es']" Cmax | +init "[u^ ys']{t^*}:[prom e^ es]" Cmax | +init "{r^*}[rs t^]" Cmax | +init "[r^ rs]{t^*}" Cmax | +init "" 0.0 | +init "{u^*}[rs t^]:[prom e^ es]" 0.0 | +init "{y^*}[ys t^]" Cmax | +init "{e^*}[es t^]" (2.0 * Cmax) | +init "{x^*}[xs t^]" Cmax | +init "{r^}[rs' t^]" Cmax | +init "[r^* rs']{t^*}" Cmax | +init "" 0.0 | +init "{u^*}[rs' t^]:[prom e^* es']" 0.0 | +init "{y^}[ys' t^]" Cmax | +init "{e^}[es' t^]" (2.0 * Cmax) | +init "{x^}[xs' t^]" Cmax | +init "[y^ ys]{t^*}" Cmax | +init "[e^ es]{t^*}" (2.0 * Cmax) | +init "[x^ xs]{t^*}" Cmax | +init "[y^* ys']{t^*}" Cmax | +init "[e^* es']{t^*}" (2.0 * Cmax) | +init "[x^* xs']{t^*}" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[ys t^]:[prom e^* es']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[ys' t^]:[prom e^ es]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[es t^]:[prom x^ xs]" 0.0 | +init "{u^*}[es t^]:[prom v^ vs]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[es' t^]:[prom x^* xs']" 0.0 | +init "{u^*}[es' t^]:[prom v^* vs']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[xs t^]:[prom v^ vs]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[xs' t^]:[prom v^* vs']" 0.0 | +"{u^*}[rs t^]:[prom e^ es]" ->{pol} "{u^*}[rs t^]:[prom e^ es]" + "" | +"{u^*}[rs' t^]:[prom e^* es']" ->{pol} "{u^*}[rs' t^]:[prom e^* es']" + "" | +"{u^*}[ys t^]:[prom e^* es']" ->{pol} "{u^*}[ys t^]:[prom e^* es']" + "" | +"{u^*}[ys' t^]:[prom e^ es]" ->{pol} "{u^*}[ys' t^]:[prom e^ es]" + "" | +"" ->{deg} | +"" ->{deg} | +"{u^*}[es t^]:[prom x^ xs]" ->{pol} "{u^*}[es t^]:[prom x^ xs]" + "" | +"{u^*}[es' t^]:[prom x^* xs']" ->{pol} "{u^*}[es' t^]:[prom x^* xs']" + "" | +"{u^*}[es t^]:[prom v^ vs]" ->{pol} "{u^*}[es t^]:[prom v^ vs]" + "" | +"{u^*}[es' t^]:[prom v^* vs']" ->{pol} "{u^*}[es' t^]:[prom v^* vs']" + "" | +"{u^*}[xs t^]:[prom v^ vs]" ->{pol} "{u^*}[xs t^]:[prom v^ vs]" + "" | +"{u^*}[xs' t^]:[prom v^* vs']" ->{pol} "{u^*}[xs' t^]:[prom v^* vs']" + "" | +"" ->{deg} | +"" ->{deg} | +"" + "" ->{ann} | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} | +"" + "" ->{ann} | +"" + "" ->{ann} | +"" + "" ->{ann} | +"{r^*}[rs t^]" + "" <->{(k * bind)}{bind} "[r^ rs]{t^*}" + "" | +"[u^ rs]{t^*}:[prom e^ es]" + "" <->{bind}{bind} "{u^*}[rs t^]:[prom e^ es]" + "" | +"{r^}[rs' t^]" + "" <->{(k * bind)}{bind} "[r^* rs']{t^*}" + "" | +"[u^ rs']{t^*}:[prom e^* es']" + "" <->{bind}{bind} "{u^*}[rs' t^]:[prom e^* es']" + "" | +"{y^*}[ys t^]" + "" <->{(k * bind)}{bind} "[y^ ys]{t^*}" + "" | +"[u^ ys]{t^*}:[prom e^* es']" + "" <->{bind}{bind} "{u^*}[ys t^]:[prom e^* es']" + "" | +"{y^}[ys' t^]" + "" <->{(k * bind)}{bind} "[y^* ys']{t^*}" + "" | +"[u^ ys']{t^*}:[prom e^ es]" + "" <->{bind}{bind} "{u^*}[ys' t^]:[prom e^ es]" + "" | +"{e^*}[es t^]" + "" <->{(k * bind)}{bind} "[e^ es]{t^*}" + "" | +"[u^ es]{t^*}:[prom x^ xs]" + "" <->{bind}{bind} "{u^*}[es t^]:[prom x^ xs]" + "" | +"[u^ es]{t^*}:[prom v^ vs]" + "" <->{bind}{bind} "{u^*}[es t^]:[prom v^ vs]" + "" | +"{e^}[es' t^]" + "" <->{(k * bind)}{bind} "[e^* es']{t^*}" + "" | +"[u^ es']{t^*}:[prom x^* xs']" + "" <->{bind}{bind} "{u^*}[es' t^]:[prom x^* xs']" + "" | +"[u^ es']{t^*}:[prom v^* vs']" + "" <->{bind}{bind} "{u^*}[es' t^]:[prom v^* vs']" + "" | +"{x^*}[xs t^]" + "" <->{(k * bind)}{bind} "[x^ xs]{t^*}" + "" | +"[u^ xs]{t^*}:[prom v^ vs]" + "" <->{bind}{bind} "{u^*}[xs t^]:[prom v^ vs]" + "" | +"{x^}[xs' t^]" + "" <->{(k * bind)}{bind} "[x^* xs']{t^*}" + "" | +"[u^ xs']{t^*}:[prom v^* vs']" + "" <->{bind}{bind} "{u^*}[xs' t^]:[prom v^* vs']" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Genelet.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Genelet.dna new file mode 100644 index 0000000..3ee05eb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Genelet.dna @@ -0,0 +1,231 @@ +(*------------------ Genelet implementation ----------------*) + +(*------------------ Settings ------------------------------*) +directive compilation infinite +directive simulation deterministicstiff +(* PI Controller settings *) +directive duration 250000.0 points 1000 +directive plot + sub(; ); (* R - R' *) + sub(; ); (* V - V' *) + sub(; ); (* Y - Y' *) + sub(; ) + +directive event 2.0*x0 @ 50000.0 +directive event 2.0*x0 @ 100000.0 +directive event 2.0 @ 150000.0 +directive event 1.0 @ 200000.0 + +(* +directive duration 500000.0 points 1000 +directive event 2*x0 @ 50000.0 +directive event 2*x0 @ 100000.0 +directive event 2*x0 @ 150000.0 +directive event 2*x0 @ 200000.0 +directive event 2*x0 @ 250000.0 +directive event 2*x0 @ 300000.0 +directive event 2*x0 @ 350000.0 +directive event 2*x0 @ 400000.0 +directive event 2*x0 @ 450000.0 +*) +(* Circuit component settings (no events) +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() +*) +directive parameters + [ deg = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 0.001 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; k = 0.05 + ] + +new x@k*bind,unbind +new r@k*bind,unbind +new e@k*bind,unbind +new v@k*bind,unbind +new y@k*bind,unbind +new t@bind,unbind +new u@bind,unbind + +(* Plotting *) +def R() = (* Signal(r,rs) *) +def R'() = (* Signal'(r,rs') *) +def E() = (* Signal(e,es) *) +def E'() = (* Signal'(e,es') *) +def V() = (* Signal(v,vs) *) +def V'() = (* Signal'(v,vs') *) +def Y() = (* Signal(y,ys) *) +def Y'() = (* Signal'(y,ys') *) +def X() = (* Signal'(x,xs') *) +def X'() = (* Signal'(x,xs') *) +def Load() = +def Load'() = + +(* Species *) +def Signal(x,xs) = +def Signal'(x,xs') = +def Template(x,xs,y,ys) = {u^*}[xs t^]:[prom y^ ys] +def Template'(x,xs',y,ys') = {u^*}[xs' t^]:[prom y^* ys'] +def TemplateOff(x,xs,y,ys) = [u^ xs]{t^*}:[prom y^ ys] +def TemplateOff'(x,xs',y,ys') = [u^ xs']{t^*}:[prom y^* ys'] +def TemplateOffInv(x,xs,y,ys') = [u^ xs]{t^*}:[prom y^* ys'] +def TemplateOffInv'(x,xs',y,ys) = [u^ xs']{t^*}:[prom y^ ys] +def TemplateInv(x,xs,y,ys') = {u^*}[xs t^]:[prom y^* ys'] +def TemplateInv'(x,xs',y,ys) = {u^*}[xs' t^]:[prom y^ ys] +def Transducer(x,xs) = {x^*}[xs t^] +def Transducer'(x,xs') = {x^}[xs' t^] +def TransducerRev(x,xs) = [x^ xs]{t^*} +def TransducerRev'(x,xs') = [x^* xs']{t^*} + +(*------------------ Basic Reactions -----------------------*) +def Catalysis(k,x,xs,y,ys) = (* x -> x + y *) +( Cmax*k * TemplateOff(x,xs,y,ys) +| Cmax*k * Transducer(x,xs) +| Cmax*k * TransducerRev(x,xs) +| Cmax*k * +| rxn Template(x,xs,y,ys) ->{pol} Template(x,xs,y,ys) + Signal(y,ys) +) +def Catalysis'(k,x,xs',y,ys') = (* x' -> x' + y' *) +( Cmax*k * TemplateOff'(x,xs',y,ys') +| Cmax*k * Transducer'(x,xs') +| Cmax*k * TransducerRev'(x,xs') +| Cmax*k * +| rxn Template'(x,xs',y,ys') ->{pol} Template'(x,xs',y,ys') + Signal'(y,ys') +) +def CatalysisInv(k,x,xs,y,ys') = (* x -> x + y' *) +( Cmax*k * TemplateOffInv(x,xs,y,ys') +| Cmax*k * Transducer(x,xs) +| Cmax*k * TransducerRev(x,xs) +| Cmax*k * +| rxn TemplateInv(x,xs,y,ys') ->{pol} TemplateInv(x,xs,y,ys') + Signal'(y,ys') +) +def CatalysisInv'(k,x,xs',y,ys) = (* x' -> x' + y *) +( Cmax*k * TemplateOffInv'(x,xs',y,ys) +| Cmax*k * Transducer'(x,xs') +| Cmax*k * TransducerRev'(x,xs') +| Cmax*k * +| rxn TemplateInv'(x,xs',y,ys) ->{pol} TemplateInv'(x,xs',y,ys) + Signal(y,ys) +) +def Degradation(k,x,xs,xs') = +(* CatalysisInv(k,x,xs,x,xs') *) + ( rxn Signal(x,xs) ->{deg/k} ) + +def Degradation'(k,x,xs,xs') = +(* CatalysisInv'(k,x,xs',x,xs) *) + ( rxn Signal'(x,xs') ->{deg/k} ) + +def Catalysis2(k,x,xs,xs',y,ys,ys') = +( Catalysis(k,x,xs,y,ys) +| Catalysis'(k,x,xs',y,ys') +) +def Catalysis2Inv(k,x,xs,xs',y,ys,ys') = +( CatalysisInv(k,x,xs,y,ys') +| CatalysisInv'(k,x,xs',y,ys) +) +def Degradation2(k,x,xs,xs') = +( Degradation(k,x,xs,xs') +| Degradation'(k,x,xs,xs') +) +def Annihilation(x,xs,xs') = + ( rxn Signal(x,xs) + Signal'(x,xs') ->{ann} (* {xs'}[x^] *) ) + +(*------------------ Blocks --------------------------------*) +def Integration(kI,x,xs,xs',y,ys,ys') = + ( Catalysis2(kI,x,xs,xs',y,ys,ys') ) + +def Gain(k,kD,x,xs,xs',y,ys,ys') = +( Catalysis2(k,x,xs,xs',y,ys,ys') +| Degradation2(kD,y,ys,ys') +) +def Summation(k1,k2,kD,x1,x1s,x1s',x2,x2s,x2s',y,ys,ys') = +( Catalysis2(k1,x1,x1s,x1s',y,ys,ys') +| Catalysis2(k2,x2,x2s,x2s',y,ys,ys') +| Degradation2(kD,y,ys,ys') +) +def SummationInv(k1,k2,kD,x1,x1s,x1s',x2,x2s,x2s',y,ys,ys') = +( Catalysis2(k1,x1,x1s,x1s',y,ys,ys') +| Catalysis2Inv(k2,x2,x2s,x2s',y,ys,ys') +| Degradation2(kD,y,ys,ys') +) + +def PI(kP,kI, r,rs,rs', y,ys,ys', v,vs,vs') = +( SummationInv(1.0,1.0,1.0,r,rs,rs',y,ys,ys',e,es,es') +| Integration(kI,e,es,es',x,xs,xs') +| Summation(kP,1.0,1.0,e,es,es',x,xs,xs',v,vs,vs') +| Annihilation(x,xs,xs') +) +def Plant(v,vs,vs', y,ys,ys') = +( rxn Signal(v,vs) ->{0.2} Signal(v,vs) + Signal(y,ys) +| rxn Signal'(v,vs')->{0.2} Signal'(v,vs')+ Signal'(y,ys') +| rxn Signal(y,ys) ->{0.1} +| rxn Signal'(y,ys')->{0.1} +| rxn Load() + Signal(y,ys) ->{0.01} Load() +| rxn Load'() + Signal'(y,ys') ->{0.01} Load'() +| rxn Load() + Load'() ->{1.0} +) +def Plottables() = +( 0 * R() +| 0 * R'() +| 0 * V() +| 0 * V'() +| 0 * Y() +| 0 * Y'() +| 0 * Load() +| 0 * Load'() +) + +(*------------------ Full system ----------------------------*) +def System() = +( Plottables() +| x0 * R() +| PI(1.0,1.0, r,rs,rs', y,ys,ys', v,vs,vs') +| Plant(v,vs,vs', y,ys,ys') +| Annihilation(r,rs,rs') +| Annihilation(y,ys,ys') +| Annihilation(v,vs,vs') +| Annihilation(e,es,es') +) + +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x,xs,xs') +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0, x,xs, y,ys) +) +def TestDegradation() = +( X() +| Degradation(1.0, x,xs,xs') +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0, x,xs,xs', y,ys,ys') +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0, x,xs,xs' ,e,es,es', v,vs,vs') +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0, y,ys,ys', r,rs,rs', e,es,es') +| Annihilation(e,es,es') +) + +(*------------------ Run -------------------------------------*) +System() +(* +TestAnnihilation() +TestCatalysis() +TestDegradation() +System() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Independent Input.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Independent Input.crn new file mode 100644 index 0000000..800c0eb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Independent Input.crn @@ -0,0 +1,19 @@ +directive plot sum(""); "" + +init "" 10.0 | +init "" 100.0 | +init "[S12^]:[S13 S14^]{S15^*}" 100.0 | +init "{S12^*}[S13 S14^]{S15^*}" 0.0 | +init "{S12^*}[S13 S14^]:[S15^]" 0.0 | +init "[S12^ S13 S14^]:[S15^]" 0.0 | +init "[S12^ S13 S14^]{S15^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[S12^]:[S13 S14^]:[S15^]" 0.0 | +"[S12^]:[S13 S14^]{S15^*}" ->{0.1126} "{S12^*}[S13 S14^]{S15^*}" + "" | +"{S12^*}[S13 S14^]{S15^*}" + "" ->{0.0003} "[S12^ S13 S14^]{S15^*}" + "" | +"{S12^*}[S13 S14^]{S15^*}" + "" <->{0.0003}{0.1126} "{S12^*}[S13 S14^]:[S15^]" | +"{S12^*}[S13 S14^]:[S15^]" + "" ->{0.0003} "[S12^ S13 S14^]:[S15^]" + "" | +"[S12^ S13 S14^]:[S15^]" <->{0.1126}{0.0003} "[S12^ S13 S14^]{S15^*}" + "" | +"[S12^]:[S13 S14^]:[S15^]" ->{0.1126} "{S12^*}[S13 S14^]:[S15^]" + "" | +"[S12^]:[S13 S14^]{S15^*}" + "" <->{0.0003}{0.1126} "[S12^]:[S13 S14^]:[S15^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Independent Input.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Independent Input.dna new file mode 100644 index 0000000..a9ef47c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Independent Input.dna @@ -0,0 +1,13 @@ +directive plot ; fuel _ +dom S11 = { seq = ACCTAATAGC } +dom S12 = { seq = ACCACATCAA } +dom S13 = { seq = TCTCGATCCAGTAC } +dom S14 = { seq = ACCT } +dom S15 = { seq = CTTCACGAACATTTCA } +dom S16 = { seq = TAGCCA } + +def catalyst(N) = N* +def fuel(N) = N* +def substrate(N) = N* [S12^]:[S13 S14^]{S15^*} + +( fuel(100) | substrate(100) | catalyst(10)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Localization_AND Gate.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Localization_AND Gate.crn new file mode 100644 index 0000000..6523a64 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Localization_AND Gate.crn @@ -0,0 +1,24 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init "{T^*}[A T^]:[B T^]" 1.0 | +init "{T^*}[C]" 1.0 | +init "" in1 | +init "[T^ A]{T^*}:[B T^]" 0.0 | +init "" 0.0 | +init "" in2 | +init "[T^ A]:[T^ B]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ C]" 0.0 | +init "" 0.0 | +"{T^*}[A T^]:[B T^]" + "" <->{(c0 * 5E-05)}{(c0 * 5E-05)} "[T^ A]{T^*}:[B T^]" + "" | +"{T^*}[C]" + "" ->{(c0 * 5E-05)} "[T^ C]" + "" | +"[T^ A]{T^*}:[B T^]" + "" <->{(c0 * 5E-05)}{(c0 * 5E-05)} "[T^ A]:[T^ B]{T^*}" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Localization_AND Gate.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Localization_AND Gate.dna new file mode 100644 index 0000000..b8c0b0f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Localization_AND Gate.dna @@ -0,0 +1,30 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, s) = +def AND (Ti1, Input1, Ti2, Input2, To, Output) = {Ti1^*}[Input1 Ti2^]:[Input2 To^] +def REPORTER (Ti, Input) = {Ti^*}[Input] + +new T@ c0 * bind, unbind + +( + in1 * STRAND(T, A) +| in2 * STRAND(T, B) +| AND (T, A, T, B, T, C) +| REPORTER (T, C) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Lotka.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Lotka.crn new file mode 100644 index 0000000..89fa11f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Lotka.crn @@ -0,0 +1,31 @@ +directive sample 0.0,20000.0 1000 +directive plot ""; "" +directive reltolerance 1e-07 + +init constant "{t^*}[y1 x^ y2]{t^*}" 30000.0 | +init constant "{x^*}[y2 i.1]:[t^ y2r]:[t^ y2r]" 3000000.0 | +init "" 1000.0 | +init "[t^ y1 x^]:[y2]{t^*}" 0.0 | +init "" 1000.0 | +init "{t^*}[y1 x^ y2]:[t^]" 0.0 | +init "[t^ y1 x^]:[y2 t^]" 0.0 | +init "" 0.0 | +init "[x^ y2 i.1 t^ y2r t^ y2r]" 0.0 | +init "" 0.0 | +init constant "{t^*}[y1 x^]" 1000.0 | +init "[t^ y1 x^]" 0.0 | +init "" 0.0 | +init constant "{x^*}[i]:[y1l t^]:[y1l t^]" 100000.0 | +init "[x^ i y1l t^ y1l t^]" 0.0 | +init "" 0.0 | +init constant "[y2]{t^*}" 1000.0 | +init "[y2 t^]" 0.0 | +init "" 0.0 | +"{t^*}[y1 x^ y2]{t^*}" + "" <->{1E-05}{0.1} "[t^ y1 x^]:[y2]{t^*}" | +"[t^ y1 x^]:[y2]{t^*}" + "" ->{1E-05} "[t^ y1 x^]:[y2 t^]" + "" | +"{t^*}[y1 x^ y2]{t^*}" + "" <->{1E-05}{0.1} "{t^*}[y1 x^ y2]:[t^]" | +"{t^*}[y1 x^ y2]:[t^]" + "" ->{1E-05} "[t^ y1 x^]:[y2 t^]" + "" | +"{x^*}[y2 i.1]:[t^ y2r]:[t^ y2r]" + "" ->{1E-05} "[x^ y2 i.1 t^ y2r t^ y2r]" + "" + 2"" | +"{t^*}[y1 x^]" + "" ->{1E-05} "[t^ y1 x^]" + "" | +"{x^*}[i]:[y1l t^]:[y1l t^]" + "" ->{1E-05} "[x^ i y1l t^ y1l t^]" + "" + 2"" | +"[y2]{t^*}" + "" ->{1E-05} "[y2 t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Lotka.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Lotka.dna new file mode 100644 index 0000000..7bf2eec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Lotka.dna @@ -0,0 +1,32 @@ +directive duration 20000.0 points 1000 +directive plot ; +directive reltolerance 1e-7 + +def bind = 0.00001 (* /nM/s *) +def unbind = 0.1 (* /s *) +def Excess = 100 + +new x@ bind,unbind +new t@ bind,unbind + +def SpeciesL(N,al,a) = N * +def SpeciesR(N,a,ar) = N * +def BinaryLRxRR(N,al,a,b,br,c,cr,d,dr) = (* A + B ->{N} C + D *) + new i + ( constant N * {t^*}:[a x^ b]:{t^*} + | constant N * Excess * {x^*}:[b i]:[t^ cr]:[t^ dr] + ) +def UnaryLxLL(N,al,a,cl,c,dl,d) = (* A ->{N} C + D *) + new i + ( constant N * {t^*}:[a x^] + | constant N * Excess * {x^*}:[i]:[cl t^]:[dl t^] + ) +def UnaryRx(N,a,ar) = (* A ->{N} *) + constant N * [a]:{t^*} + +( UnaryLxLL(1000,y1l,y1,y1l,y1,y1l,y1) (* Y1 -c1-> Y1 + Y1 *) +| BinaryLRxRR(30000,y1l,y1,y2,y2r,y2,y2r,y2,y2r) (* Y1 + Y2 -c2-> Y2 + Y2 *) +| UnaryRx(1000,y2,y2r) (* Y2 -c3-> *) +| SpeciesL(1000,y1l,y1) (* Y1 *) +| SpeciesR(1000,y2,y2r) (* Y2 *) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Mapk.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Mapk.crn new file mode 100644 index 0000000..26f8263 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Mapk.crn @@ -0,0 +1,176 @@ +directive sample 0.0,20000.0 1000 +directive plot ""; ""; ""; ""; ""; ""; ""; "" +directive scale 10.0 + +init constant "{t^*}[e1 x^ kkk]{t^*}" 50.0 | +init constant "{x^*}[kkk i]:[e1l t^]:[i]:[t^ kkksr]" 5000.0 | +init constant "{t^*}[e2 x^ kkks]{t^*}" 1.0 | +init constant "{x^*}[kkks i.1]:[e2l t^]:[i.1]:[t^ kkkr]" 100.0 | +init constant "{t^*}[kk x^ kkks]{t^*}" 50.0 | +init constant "{x^*}[kkks i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" 5000.0 | +init constant "{t^*}[kkp x^ kkks]{t^*}" 50.0 | +init constant "{x^*}[kkks i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" 5000.0 | +init constant "{t^*}[kkpp x^ kkpase]{t^*}" 1.0 | +init constant "{x^*}[kkpase i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" 100.0 | +init constant "{t^*}[kkp x^ kkpase]{t^*}" 1.0 | +init constant "{x^*}[kkpase i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" 100.0 | +init constant "{t^*}[kkpp x^ k]{t^*}" 50.0 | +init constant "{x^*}[k i.6]:[kkppl t^]:[i.6]:[t^ kpr]" 5000.0 | +init constant "{t^*}[kkpp x^ kp]{t^*}" 50.0 | +init constant "{x^*}[kp i.7]:[kkppl t^]:[i.7]:[t^ kppr]" 5000.0 | +init constant "{t^*}[kpase x^ kpp]{t^*}" 1.0 | +init constant "{x^*}[kpp i.8]:[kpasel t^]:[i.8]:[t^ kpr]" 100.0 | +init constant "{t^*}[kpase x^ kp]{t^*}" 1.0 | +init constant "{x^*}[kp i.9]:[kpasel t^]:[i.9]:[t^ kr]" 100.0 | +init "" 1.0 | +init "[t^ e1 x^]:[kkk]{t^*}" 0.0 | +init "" 100.0 | +init "[t^ kk x^]:[kkks]{t^*}" 0.0 | +init "" 1.0 | +init "[t^ e2 x^]:[kkks]{t^*}" 0.0 | +init "" 1.0 | +init "[t^ kpase x^]:[kpp]{t^*}" 0.0 | +init "[t^ kpase x^]:[kp]{t^*}" 0.0 | +init "" 10.0 | +init "{t^*}[e1 x^ kkk]:[t^]" 0.0 | +init "[t^ e1 x^]:[kkk t^]" 0.0 | +init "" 0.0 | +init "[x^ kkk i e1l t^ i t^ kkksr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[e2 x^ kkks]:[t^]" 0.0 | +init "[t^ e2 x^]:[kkks t^]" 0.0 | +init "" 0.0 | +init "[x^ kkks i.1 e2l t^ i.1 t^ kkkr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x^ kkks]:[i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" 0.0 | +init "[x^ kkks]:[i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" 0.0 | +init "{t^*}[kk x^ kkks]:[t^]" 0.0 | +init "[t^ kk x^]:[kkks t^]" 0.0 | +init "" 0.0 | +init "[x^ kkks]:[i.1]:[e2l t^]:[i.1]:[t^ kkkr]" 0.0 | +init "[x^ kkks i.2 kkpl t^ i.2 t^ kkksr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ kkp x^]:[kkks]{t^*}" 0.0 | +init "[t^ kkp x^]:[kkks t^]" 0.0 | +init "" 0.0 | +init "[x^ kkks]:[i.1]:[e2l t^]:[i.1]:[t^ kkkr]" 0.0 | +init "[x^ kkks]:[i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" 0.0 | +init "[x^ kkks i.3 kkppl t^ i.3 t^ kkksr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ kkpp x^]:[kkpase]{t^*}" 0.0 | +init "[t^ kkpp x^]:[k]{t^*}" 0.0 | +init "[t^ kkpp x^]:[kp]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ kkp x^]:[kkpase]{t^*}" 0.0 | +init "" 0.0 | +init "[x^ kkks]:[i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" 0.0 | +init "{t^*}[kkp x^ kkks]:[t^]" 0.0 | +init "" 100.0 | +init "{t^*}[kkpp x^ k]:[t^]" 0.0 | +init "[t^ kkpp x^]:[k t^]" 0.0 | +init "" 0.0 | +init "[x^ k i.6 kkppl t^ i.6 t^ kpr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[kkpp x^ kp]:[t^]" 0.0 | +init "[t^ kkpp x^]:[kp t^]" 0.0 | +init "" 0.0 | +init "[x^ kp i.7 kkppl t^ i.7 t^ kppr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[kpase x^ kpp]:[t^]" 0.0 | +init "[t^ kpase x^]:[kpp t^]" 0.0 | +init "" 0.0 | +init "[x^ kpp i.8 kpasel t^ i.8 t^ kpr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x^ kp]:[i.9]:[kpasel t^]:[i.9]:[t^ kr]" 0.0 | +init "{t^*}[kpase x^ kp]:[t^]" 0.0 | +init "[t^ kpase x^]:[kp t^]" 0.0 | +init "" 0.0 | +init "[x^ kp]:[i.7]:[kkppl t^]:[i.7]:[t^ kppr]" 0.0 | +init "[x^ kp i.9 kpasel t^ i.9 t^ kr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "{t^*}[kkpp x^ kkpase]:[t^]" 0.0 | +init "[t^ kkpp x^]:[kkpase t^]" 0.0 | +init "" 0.0 | +init "[x^ kkpase i.4 kkpl t^ i.4 t^ kkpaser]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x^ kkpase]:[i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" 0.0 | +init "{t^*}[kkp x^ kkpase]:[t^]" 0.0 | +init "[t^ kkp x^]:[kkpase t^]" 0.0 | +init "" 0.0 | +init "[x^ kkpase]:[i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" 0.0 | +init "[x^ kkpase i.5 kkl t^ i.5 t^ kkpaser]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"{t^*}[e1 x^ kkk]{t^*}" + "" <->{0.0003}{0.1126} "[t^ e1 x^]:[kkk]{t^*}" | +"{t^*}[kk x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kk x^]:[kkks]{t^*}" | +"{t^*}[e2 x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "[t^ e2 x^]:[kkks]{t^*}" | +"{t^*}[kpase x^ kpp]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kpase x^]:[kpp]{t^*}" | +"{t^*}[kpase x^ kp]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kpase x^]:[kp]{t^*}" | +"[t^ e1 x^]:[kkk]{t^*}" + "" ->{0.0003} "[t^ e1 x^]:[kkk t^]" + "" | +"{t^*}[e1 x^ kkk]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[e1 x^ kkk]:[t^]" | +"{t^*}[e1 x^ kkk]:[t^]" + "" ->{0.0003} "[t^ e1 x^]:[kkk t^]" + "" | +"{x^*}[kkk i]:[e1l t^]:[i]:[t^ kkksr]" + "" ->{0.0003} "[x^ kkk i e1l t^ i t^ kkksr]" + "" + "" + "" + "" | +"[t^ kk x^]:[kkks]{t^*}" + "" ->{0.0003} "[t^ kk x^]:[kkks t^]" + "" | +"[t^ e2 x^]:[kkks]{t^*}" + "" ->{0.0003} "[t^ e2 x^]:[kkks t^]" + "" | +"{t^*}[e2 x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[e2 x^ kkks]:[t^]" | +"{t^*}[e2 x^ kkks]:[t^]" + "" ->{0.0003} "[t^ e2 x^]:[kkks t^]" + "" | +"{x^*}[kkks i.1]:[e2l t^]:[i.1]:[t^ kkkr]" + "" ->{0.0003} "[x^ kkks i.1 e2l t^ i.1 t^ kkkr]" + "" + "" + "" + "" | +"{x^*}[kkks i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" | +"{x^*}[kkks i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" | +"{t^*}[kk x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kk x^ kkks]:[t^]" | +"{t^*}[kk x^ kkks]:[t^]" + "" ->{0.0003} "[t^ kk x^]:[kkks t^]" + "" | +"{x^*}[kkks i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" + "" ->{0.0003} "[x^ kkks i.2 kkpl t^ i.2 t^ kkksr]" + "" + "" + "" + "" | +"{x^*}[kkks i.1]:[e2l t^]:[i.1]:[t^ kkkr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.1]:[e2l t^]:[i.1]:[t^ kkkr]" | +"{t^*}[kkp x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkp x^]:[kkks]{t^*}" | +"[t^ kkp x^]:[kkks]{t^*}" + "" ->{0.0003} "[t^ kkp x^]:[kkks t^]" + "" | +"{x^*}[kkks i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" + "" ->{0.0003} "[x^ kkks i.3 kkppl t^ i.3 t^ kkksr]" + "" + "" + "" + "" | +"{x^*}[kkks i.1]:[e2l t^]:[i.1]:[t^ kkkr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.1]:[e2l t^]:[i.1]:[t^ kkkr]" | +"{x^*}[kkks i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" | +"{t^*}[kkpp x^ kkpase]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkpp x^]:[kkpase]{t^*}" | +"{t^*}[kkpp x^ k]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkpp x^]:[k]{t^*}" | +"{t^*}[kkpp x^ kp]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkpp x^]:[kp]{t^*}" | +"{t^*}[kkp x^ kkpase]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkp x^]:[kkpase]{t^*}" | +"{x^*}[kkks i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" | +"{t^*}[kkp x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkp x^ kkks]:[t^]" | +"{t^*}[kkp x^ kkks]:[t^]" + "" ->{0.0003} "[t^ kkp x^]:[kkks t^]" + "" | +"[t^ kkpp x^]:[k]{t^*}" + "" ->{0.0003} "[t^ kkpp x^]:[k t^]" + "" | +"{t^*}[kkpp x^ k]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkpp x^ k]:[t^]" | +"{t^*}[kkpp x^ k]:[t^]" + "" ->{0.0003} "[t^ kkpp x^]:[k t^]" + "" | +"{x^*}[k i.6]:[kkppl t^]:[i.6]:[t^ kpr]" + "" ->{0.0003} "[x^ k i.6 kkppl t^ i.6 t^ kpr]" + "" + "" + "" + "" | +"[t^ kpase x^]:[kp]{t^*}" + "" ->{0.0003} "[t^ kpase x^]:[kp t^]" + "" | +"[t^ kkpp x^]:[kp]{t^*}" + "" ->{0.0003} "[t^ kkpp x^]:[kp t^]" + "" | +"{t^*}[kkpp x^ kp]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkpp x^ kp]:[t^]" | +"{t^*}[kkpp x^ kp]:[t^]" + "" ->{0.0003} "[t^ kkpp x^]:[kp t^]" + "" | +"{x^*}[kp i.7]:[kkppl t^]:[i.7]:[t^ kppr]" + "" ->{0.0003} "[x^ kp i.7 kkppl t^ i.7 t^ kppr]" + "" + "" + "" + "" | +"[t^ kpase x^]:[kpp]{t^*}" + "" ->{0.0003} "[t^ kpase x^]:[kpp t^]" + "" | +"{t^*}[kpase x^ kpp]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kpase x^ kpp]:[t^]" | +"{t^*}[kpase x^ kpp]:[t^]" + "" ->{0.0003} "[t^ kpase x^]:[kpp t^]" + "" | +"{x^*}[kpp i.8]:[kpasel t^]:[i.8]:[t^ kpr]" + "" ->{0.0003} "[x^ kpp i.8 kpasel t^ i.8 t^ kpr]" + "" + "" + "" + "" | +"{x^*}[kp i.9]:[kpasel t^]:[i.9]:[t^ kr]" + "" <->{0.0003}{0.1126} "[x^ kp]:[i.9]:[kpasel t^]:[i.9]:[t^ kr]" | +"{t^*}[kpase x^ kp]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kpase x^ kp]:[t^]" | +"{t^*}[kpase x^ kp]:[t^]" + "" ->{0.0003} "[t^ kpase x^]:[kp t^]" + "" | +"{x^*}[kp i.9]:[kpasel t^]:[i.9]:[t^ kr]" + "" ->{0.0003} "[x^ kp i.9 kpasel t^ i.9 t^ kr]" + "" + "" + "" + "" | +"{x^*}[kp i.7]:[kkppl t^]:[i.7]:[t^ kppr]" + "" <->{0.0003}{0.1126} "[x^ kp]:[i.7]:[kkppl t^]:[i.7]:[t^ kppr]" | +"[t^ kkpp x^]:[kkpase]{t^*}" + "" ->{0.0003} "[t^ kkpp x^]:[kkpase t^]" + "" | +"[t^ kkp x^]:[kkpase]{t^*}" + "" ->{0.0003} "[t^ kkp x^]:[kkpase t^]" + "" | +"{t^*}[kkpp x^ kkpase]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkpp x^ kkpase]:[t^]" | +"{t^*}[kkpp x^ kkpase]:[t^]" + "" ->{0.0003} "[t^ kkpp x^]:[kkpase t^]" + "" | +"{x^*}[kkpase i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" + "" ->{0.0003} "[x^ kkpase i.4 kkpl t^ i.4 t^ kkpaser]" + "" + "" + "" + "" | +"{x^*}[kkpase i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" + "" <->{0.0003}{0.1126} "[x^ kkpase]:[i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" | +"{t^*}[kkp x^ kkpase]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkp x^ kkpase]:[t^]" | +"{t^*}[kkp x^ kkpase]:[t^]" + "" ->{0.0003} "[t^ kkp x^]:[kkpase t^]" + "" | +"{x^*}[kkpase i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" + "" ->{0.0003} "[x^ kkpase i.5 kkl t^ i.5 t^ kkpaser]" + "" + "" + "" + "" | +"{x^*}[kkpase i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" + "" <->{0.0003}{0.1126} "[x^ kkpase]:[i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Mapk.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Mapk.dna new file mode 100644 index 0000000..d927189 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Mapk.dna @@ -0,0 +1,44 @@ +directive duration 20000.0 points 1000 +directive plot ; ; ; +; ; ; ; +directive scale 10.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Init = 50 +def Low = 1 +def Excess = 100 + +new x@ bind,unbind +new t@ bind,unbind + +def SpeciesL(N,al,a) = N * +def SpeciesR(N,a,ar) = N * +def BinaryLRxLR(N,al,a,b,br,cl,c,d,dr) = (* A + B ->{N} C + D *) + new i + ( constant N * {t^*}:[a x^ b]:{t^*} + | constant N * Excess * {x^*}:[b i]:[cl t^]:[i]:[t^ dr] + ) + +new e1l new e1 new kkk new kkkr new kkl new kk new k new kr +new e2l new e2 new kkpase new kkpaser new kpasel new kpase +new kkks new kkksr new kkpl new kkp new kkppl new kkpp +new kp new kpr new kpp new kppr + +( SpeciesL(1,e1l,e1) (* E1 *) +| SpeciesR(10,kkk,kkkr) (* 10 KKK *) +| SpeciesL(100,kkl,kk) (* 100 KK *) +| SpeciesR(100,k,kr) (* 100 K *) +| SpeciesL(1,e2l,e2) (* E2 *) +| SpeciesR(1,kkpase,kkpaser) (* KKPase *) +| SpeciesL(1,kpasel,kpase) (* KPase *) +| BinaryLRxLR(Init,e1l,e1,kkk,kkkr,e1l,e1,kkks,kkksr) (* E1 + KKK ->{r} E1 + KKKs *) +| BinaryLRxLR(Low,e2l,e2,kkks,kkksr,e2l,e2,kkk,kkkr) (* E2 + KKKs ->{r} E2 + KKK *) +| BinaryLRxLR(Init,kkl,kk,kkks,kkksr,kkpl,kkp,kkks,kkksr) (* KK + KKKs ->{r} KKP + KKKs *) +| BinaryLRxLR(Init,kkpl,kkp,kkks,kkksr,kkppl,kkpp,kkks,kkksr) (* KKP + KKKs ->{r} KKPP + KKKs *) +| BinaryLRxLR(Low,kkppl,kkpp,kkpase,kkpaser,kkpl,kkp,kkpase,kkpaser) (* KKPP + KKPase ->{r} KKP + KKPase *) +| BinaryLRxLR(Low,kkpl,kkp,kkpase,kkpaser,kkl,kk,kkpase,kkpaser) (* KKP + KKPase ->{r} KK + KKPase *) +| BinaryLRxLR(Init,kkppl,kkpp,k,kr,kkppl,kkpp,kp,kpr) (* KKPP + K ->{r} KKPP + KP *) +| BinaryLRxLR(Init,kkppl,kkpp,kp,kpr,kkppl,kkpp,kpp,kppr) (* KKPP + KP ->{r} KKPP + KPP *) +| BinaryLRxLR(Low,kpasel,kpase,kpp,kppr,kpasel,kpase,kp,kpr) (* KPase + KPP ->{r} KPase + KP *) +| BinaryLRxLR(Low,kpasel,kpase,kp,kpr,kpasel,kpase,k,kr) (* KPase + KP ->{r} KPase + K *) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Migrations.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Migrations.crn new file mode 100644 index 0000000..734ac98 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Migrations.crn @@ -0,0 +1,13 @@ +directive sample 0.0,1.0 1000 + +init "[a1]:[a2 a3]" 1000.0 | +init "[a1 a2 a3]" 0.0 | +init "" 0.0 | +init "[b1]:[b2]:[b3]" 1000.0 | +init "[b1 b2]:[b3]" 0.0 | +init "[b1 b2 b3]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[a1]:[a2 a3]" ->{(8000.0 / 1600.0)} "[a1 a2 a3]" + "" | +"[b1]:[b2]:[b3]" ->{(8000.0 / 400.0)} "[b1 b2]:[b3]" + "" | +"[b1 b2]:[b3]" ->{(8000.0 / 400.0)} "[b1 b2 b3]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Migrations.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Migrations.dna new file mode 100644 index 0000000..2358636 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Migrations.dna @@ -0,0 +1,6 @@ +(* Example demonstrating the branch migration rate *) +directive compilation detailed +directive duration 1.0 points 1000 +( 1000 * [a1]:[a2 a3] +| 1000 * [b1]:[b2]:[b3] +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate With Nicks.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate With Nicks.crn new file mode 100644 index 0000000..6d24392 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate With Nicks.crn @@ -0,0 +1,30 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c = 50.0 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init "{T^*}[Ba]:[Bb T^]" 1.0 | +init "{T^*}[Aa]:[Ab T^]" 1.0 | +init "{T^*}[Ca Cb]" 1.0 | +init "" in1 | +init "[T^ Aa Ab]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ca Cb]" 0.0 | +init "" 0.0 | +init "" in2 | +init "[T^ Ba Bb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ca Cb]" 0.0 | +"{T^*}[Aa]:[Ab T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]{T^*}" + "" + "" | +"{T^*}[Ca Cb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ca Cb]" + "" | +"{T^*}[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Ba Bb]{T^*}" + "" + "" | +"[T^ Ca Cb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ Ca Cb]" + "" | +"{T^*}[Ca Cb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate With Nicks.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate With Nicks.dna new file mode 100644 index 0000000..89a26bf --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate With Nicks.dna @@ -0,0 +1,33 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( + in1*STRAND(T, Aa, Ab) +| in2*STRAND(T, Ba, Bb) +| OR(T, Aa, Ab, T, Ba, Bb, T, Ca, Cb) +| REPORTER(T, Ca, Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate.crn new file mode 100644 index 0000000..b8167fc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate.crn @@ -0,0 +1,27 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init "{T^*}[B T^]" 1.0 | +init "{T^*}[A T^]" 1.0 | +init "{T^*}[C]" 1.0 | +init "" in1 | +init "[T^ A]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ C]" 0.0 | +init "" 0.0 | +init "" in2 | +init "[T^ B]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ C]" 0.0 | +"{T^*}[C]" + "" ->{(c0 * 5E-05)} "[T^ C]" + "" | +"{T^*}[A T^]" + "" <->{(c0 * 5E-05)}{(c0 * 5E-05)} "[T^ A]{T^*}" + "" | +"{T^*}[C]" + "" ->{(c0 * 5E-05)} "[T^ C]" + "" | +"{T^*}[B T^]" + "" <->{(c0 * 5E-05)}{(c0 * 5E-05)} "[T^ B]{T^*}" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate.dna new file mode 100644 index 0000000..8ba805f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Gate.dna @@ -0,0 +1,31 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, s) = +def OR (Ti1, Input1, Ti2, Input2, To, Output) = ({Ti1^*}[Input1 To^] + | {Ti2^*}[Input2 To^]) +def REPORTER (Ti, Input) = {Ti^*}[Input] + +new T@ c0 * bind, unbind + +( + in1 * STRAND(T, A) +| in2 * STRAND(T, B) +| OR (T, A, T, B, T, C) +| REPORTER (T, C) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/OR Of ANDs.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Of ANDs.crn new file mode 100644 index 0000000..0b01952 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Of ANDs.crn @@ -0,0 +1,53 @@ +directive sample 0.0,720.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ c = 50.0 ] +directive sweep sweep_1 = + { c = [50.0, 500.0, 5000.0, 50000.0, 500000.0, 5000000.0] } + +init "{T^*}[Ca]:[Cb T^]:[Da]:[Db T^]" 1.0 | +init "{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" 1.0 | +init "{T^*}[Fa]:[Fb T^]" 1.0 | +init "{T^*}[Ea]:[Eb T^]" 1.0 | +init "{T^*}[Ga Gb]" 1.0 | +init "" 0.0 | +init "[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" 0.0 | +init "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ Ea Eb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ga Gb]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ca Cb]{T^*}:[Da]:[Db T^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "{T^*}[Ca]:[Cb T^]:[Da Db]{T^*}" 0.0 | +init "[T^ Ca Cb]:[T^ Da Db]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ Fa Fb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ga Gb]" 0.0 | +init "" 0.0 | +"{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" + "" + "" | +"{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" + "" ->{(1E-09 * c)} "{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" + "" + "" | +"[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" + "" + "" | +"{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" + "" ->{(c * 5E-05)} "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" + "" + "" | +"{T^*}[Ea]:[Eb T^]" + "" ->{(c * 5E-05)} "[T^ Ea Eb]{T^*}" + "" + "" | +"{T^*}[Ga Gb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ga Gb]" + "" | +"{T^*}[Ca]:[Cb T^]:[Da]:[Db T^]" + "" ->{(c * 5E-05)} "[T^ Ca Cb]{T^*}:[Da]:[Db T^]" + "" + "" | +"{T^*}[Ca]:[Cb T^]:[Da]:[Db T^]" + "" ->{(1E-09 * c)} "{T^*}[Ca]:[Cb T^]:[Da Db]{T^*}" + "" + "" | +"[T^ Ca Cb]{T^*}:[Da]:[Db T^]" + "" ->{(c * 5E-05)} "[T^ Ca Cb]:[T^ Da Db]{T^*}" + "" + "" | +"{T^*}[Ca]:[Cb T^]:[Da Db]{T^*}" + "" ->{(c * 5E-05)} "[T^ Ca Cb]:[T^ Da Db]{T^*}" + "" + "" | +"{T^*}[Fa]:[Fb T^]" + "" ->{(c * 5E-05)} "[T^ Fa Fb]{T^*}" + "" + "" | +"[T^ Ga Gb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ Ga Gb]" + "" | +"{T^*}[Ga Gb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ga Gb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/OR Of ANDs.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Of ANDs.dna new file mode 100644 index 0000000..2393bb5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/OR Of ANDs.dna @@ -0,0 +1,45 @@ +directive duration 720.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Defining speedup factor *) +directive parameters [c = 50.0] +directive sweep c = [50.0, 500.0, 5000.0, 50000.0, 500000.0, 5000000.0] + +(* Input settings, following (Si1 AND Si2) OR (Si3 AND Si4) *) +def Si1 = 0 +def Si2 = 0 +def Si3 = 0 +def Si4 = 1 + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] +) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( + Si1*STRAND(T, Aa, Ab) +| Si2*STRAND(T, Ba, Bb) +| Si3*STRAND(T, Ca, Cb) +| Si4*STRAND(T, Da, Db) +| AND(T, Aa, Ab, T, Ba, Bb, T, Ea, Eb) +| AND(T, Ca, Cb, T, Da, Db, T, Fa, Fb) +| OR(T, Ea, Eb, T, Fa, Fb, T, Ga, Gb) +| REPORTER(T, Ga, Gb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Oscillating.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Oscillating.crn new file mode 100644 index 0000000..d455f1b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Oscillating.crn @@ -0,0 +1,319 @@ +directive sample 0.0,500000.0 1000 +directive plot ("" + "" +""); ("" + "" + ""); ("
"+""+""); (""+""+"") +directive scale 100.0 + +init "" 3.0 | +init "" 2.0 | +init "
" 2.0 | +init "{tB^*}[B tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 100.0 | +init "" 100.0 | +init "[B]{tp^*}" 100.0 | +init "[p]:[tq^ d]:[td^ q]{ta^*}" 100.0 | +init "" 100.0 | +init "{td^*}[q]" 100.0 | +init "{tq^*}[d]" 100.0 | +init "" 1.0 | +init "[tB^ B]:[tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:

" 0.0 | +init "[p tq^]:[d td^]:[q ta^]" 0.0 | +init "

" 0.0 | +init "" 0.0 | +init "[B tp^]" 0.0 | +init "" 0.0 | +init "{tB.7^*}[B.8 tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 100.0 | +init "" 100.0 | +init "[B.8]{tq^*}" 100.0 | +init "[q]:[tr^ d.6]:[td.5^ r]{ta.1^*}" 100.0 | +init "" 100.0 | +init "{td.5^*}[r]" 100.0 | +init "{tr^*}[d.6]" 100.0 | +init "" 1.0 | +init "[tB.7^ B.8]:[tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:


[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "" 0.0 | +init "[q]:[tr^ d.6]:[td.5^ r]:[ta.1^]" 0.0 | +init "[q]:[tr^ d.6]{td.5^*}:[r ta.1^]" 0.0 | +init "[q]:[tr^ d.6]:[td.5^]:[r ta.1^]" 0.0 | +init "[q]{tr^*}:[d.6 td.5^]:[r ta.1^]" 0.0 | +init "" 0.0 | +init "[tr^ d.6]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td.5^ r]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[q tr^]:[d.6 td.5^]:[r ta.1^]" 0.0 | +init "[tB.7^ B.8]:
[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:
[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "" 0.0 | +init "[B.8 tq^]" 0.0 | +init "" 0.0 | +init "{tB.15^*}[B.16 tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 100.0 | +init "" 100.0 | +init "[B.16]{tr^*}" 100.0 | +init "[r]:[tp^ d.14]:[td.13^ p]{ta.9^*}" 100.0 | +init "" 100.0 | +init "{td.13^*}[p]" 100.0 | +init "{tp^*}[d.14]" 100.0 | +init "" 1.0 | +init "[tB.15^ B.16]:[tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "

" 0.0 | +init "[r]:[tp^ d.14]:[td.13^ p]:

[ta.9^]" 0.0 | +init "[r]:[tp^ d.14]{td.13^*}:[p ta.9^]" 0.0 | +init "[r]:[tp^ d.14]:[td.13^]:[p ta.9^]" 0.0 | +init "[r]{tp^*}:[d.14 td.13^]:[p ta.9^]" 0.0 | +init "" 0.0 | +init "[tp^ d.14]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td.13^ p]" 0.0 | +init "" 0.0 | +init "[r tp^]:[d.14 td.13^]:[p ta.9^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "" 0.0 | +init "[B.16 tr^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[p]:[tq^ d]:[td^ q]{ta^*}" + "" <->{0.0003}{0.1126} "[p]:[tq^ d]:[td^ q]:[ta^]" | +"[p]:[tq^ d]{td^*}:[q ta^]" + "" <->{0.0003}{0.1126} "[p]:[tq^ d]:[td^]:[q ta^]" | +"{tq^*}[d]" + "" ->{0.0003} "[tq^ d]" + "" | +"[p]:[tq^ d]:[td^]:[q ta^]" <->{0.1126}{0.0003} "[p]{tq^*}:[d td^]:[q ta^]" + "" | +"{td^*}[q]" + "" ->{0.0003} "[td^ q]" + "" | +"[p]:[tq^ d]:[td^ q]:[ta^]" <->{0.1126}{0.0003} "[p]:[tq^ d]{td^*}:[q ta^]" + "" | +"[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "

" | +"[p]{tq^*}:[d td^]:[q ta^]" + "

" ->{0.0003} "[p tq^]:[d td^]:[q ta^]" + "

" | +"[B]{tp^*}" + "" ->{0.0003} "[B tp^]" + "" | +"[tB^ B]:[tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" | +"{tB.7^*}[B.8 tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "


" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[q]:[tr^ d.6]:[td.5^ r]{ta.1^*}" + "" <->{0.0003}{0.1126} "[q]:[tr^ d.6]:[td.5^ r]:[ta.1^]" | +"[q]:[tr^ d.6]{td.5^*}:[r ta.1^]" + "" <->{0.0003}{0.1126} "[q]:[tr^ d.6]:[td.5^]:[r ta.1^]" | +"{tr^*}[d.6]" + "" ->{0.0003} "[tr^ d.6]" + "" | +"[q]:[tr^ d.6]:[td.5^]:[r ta.1^]" <->{0.1126}{0.0003} "[q]{tr^*}:[d.6 td.5^]:[r ta.1^]" + "" | +"{td.5^*}[r]" + "" ->{0.0003} "[td.5^ r]" + "" | +"[q]:[tr^ d.6]:[td.5^ r]:[ta.1^]" <->{0.1126}{0.0003} "[q]:[tr^ d.6]{td.5^*}:[r ta.1^]" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[q]{tr^*}:[d.6 td.5^]:[r ta.1^]" + "" ->{0.0003} "[q tr^]:[d.6 td.5^]:[r ta.1^]" + "" | +"[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "
" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "
" <->{0.0003}{0.1126} "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:
[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:
[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:
[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "
" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[B.8]{tq^*}" + "" ->{0.0003} "[B.8 tq^]" + "" | +"[tB.7^ B.8]:[tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"{tB.15^*}[B.16 tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "


" <->{0.0003}{0.1126} "[tB.15^ B.16]:
[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:
[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[r]:[tp^ d.14]:[td.13^ p]{ta.9^*}" + "

" <->{0.0003}{0.1126} "[r]:[tp^ d.14]:[td.13^ p]:

[ta.9^]" | +"[r]:[tp^ d.14]{td.13^*}:[p ta.9^]" + "" <->{0.0003}{0.1126} "[r]:[tp^ d.14]:[td.13^]:[p ta.9^]" | +"{tp^*}[d.14]" + "" ->{0.0003} "[tp^ d.14]" + "" | +"[r]:[tp^ d.14]:[td.13^]:[p ta.9^]" <->{0.1126}{0.0003} "[r]{tp^*}:[d.14 td.13^]:[p ta.9^]" + "" | +"{td.13^*}[p]" + "" ->{0.0003} "[td.13^ p]" + "

" | +"[r]:[tp^ d.14]:[td.13^ p]:

[ta.9^]" <->{0.1126}{0.0003} "[r]:[tp^ d.14]{td.13^*}:[p ta.9^]" + "" | +"[tB.15^ B.16]:


[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" | +"[r]{tp^*}:[d.14 td.13^]:[p ta.9^]" + "" ->{0.0003} "[r tp^]:[d.14 td.13^]:[p ta.9^]" + "" | +"[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[B.16]{tr^*}" + "" ->{0.0003} "[B.16 tr^]" + "" | +"[tB.15^ B.16]:[tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Oscillating.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Oscillating.dna new file mode 100644 index 0000000..9027e52 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Oscillating.dna @@ -0,0 +1,31 @@ +directive duration 500000.0 points 1000 +directive plot sum(<_ tp^ p>); sum(<_ tq^ q>); sum(<_ tr^ r>); +sum(); [tB^ B]:{tp^}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^] +directive scale 100.0 + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tp@bind,unbind +new tq@bind,unbind +new tr@bind,unbind + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * ) + +( BJ2x2(Buff,1, tp,p, tq,q, tq,q, tq,q) +| BJ2x2(Buff,1, tq,q, tr,r, tr,r, tr,r) +| BJ2x2(Buff,1, tr,r, tp,p, tp,p, tp,p) +| 3 * +| 2 * +| 2 *


+) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Qian And Winfree 4 Bit Square Root Circuit.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Qian And Winfree 4 Bit Square Root Circuit.crn new file mode 100644 index 0000000..73e329f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Qian And Winfree 4 Bit Square Root Circuit.crn @@ -0,0 +1,446 @@ +directive sample 0.0,36000.0 10000 +directive plot ""; ""; ""; "" +directive scale 20.0 + +init "{t^*}[S20L^ S20 S20R^ t^]" 100.0 | +init "{t^*}[S21L^ S21 S21R^ t^]" 50.0 | +init "{t^*}[S21L^ S21 S21R^ t^]" 50.0 | +init "{t^*}[S22L^ S22 S22R^ t^]" 100.0 | +init "{t^*}[S23L^ S23 S23R^ t^]" 50.0 | +init "{t^*}[S23L^ S23 S23R^ t^]" 50.0 | +init "{t^*}[S28L^ S28 S28R^ t^]" 100.0 | +init "{t^*}[S29L^ S29 S29R^ t^]" 50.0 | +init "{t^*}[S30L^ S30 S30R^ t^]" 100.0 | +init "{t^*}[S31L^ S31 S31R^ t^]" 50.0 | +init "{t^*}[S32L^ S32 S32R^ t^]" 100.0 | +init "{t^*}[S33L^ S33 S33R^ t^]" 50.0 | +init "{t^*}[S34L^ S34 S34R^ t^]" 100.0 | +init "{t^*}[S35L^ S35 S35R^ t^]" 50.0 | +init "{t^*}[S36L^ S36 S36R^ t^]" 150.0 | +init "{t^*}[S37L^ S37 S37R^ t^]" 50.0 | +init "{t^*}[S38L^ S38 S38R^ t^]" 150.0 | +init "{t^*}[S39L^ S39 S39R^ t^]" 50.0 | +init "{t^*}[S40L^ S40 S40R^ t^]" 100.0 | +init "{t^*}[S41L^ S41 S41R^ t^]" 50.0 | +init "{t^*}[S42L^ S42 S42R^ t^]" 100.0 | +init "{t^*}[S43L^ S43 S43R^ t^]" 50.0 | +init "{t^*}[S44L^ S44 S44R^ t^]" 100.0 | +init "{t^*}[S45L^ S45 S45R^ t^]" 50.0 | +init "{t^*}[S46L^ S46 S46R^ t^]" 100.0 | +init "{t^*}[S47L^ S47 S47R^ t^]" 50.0 | +init "{t^*}[S13L^ S13 S13R^ t^]" 50.0 | +init "{t^*}[S13L^ S13 S13R^ t^]" 50.0 | +init "{t^*}[S13L^ S13 S13R^ t^]" 50.0 | +init "{t^*}[S15L^ S15 S15R^ t^]" 50.0 | +init "{t^*}[S15L^ S15 S15R^ t^]" 50.0 | +init "{t^*}[S15L^ S15 S15R^ t^]" 50.0 | +init "{t^*}[S17L^ S17 S17R^ t^]" 50.0 | +init "{t^*}[S17L^ S17 S17R^ t^]" 50.0 | +init "{t^*}[S17L^ S17 S17R^ t^]" 50.0 | +init "{t^*}[S19L^ S19 S19R^ t^]" 50.0 | +init "{t^*}[S19L^ S19 S19R^ t^]" 50.0 | +init "{t^*}[S19L^ S19 S19R^ t^]" 50.0 | +init "{t^*}[S48L^ S48 S48R^]" 75.0 | +init "{t^*}[S50L^ S50 S50R^]" 75.0 | +init "{t^*}[S52L^ S52 S52R^]" 75.0 | +init "{t^*}[S54L^ S54 S54R^]" 75.0 | +init "" 45.0 | +init "[t^ S22L^ S22 S22R^]:[t^]" 0.0 | +init "[t^ S22L^ S22 S22R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S23L^ S23 S23R^]:[t^]" 0.0 | +init "[t^ S23L^ S23 S23R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S36L^ S36 S36R^]:[t^]" 0.0 | +init "[t^ S36L^ S36 S36R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S37L^ S37 S37R^]:[t^]" 0.0 | +init "[t^ S37L^ S37 S37R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S46L^ S46 S46R^]:[t^]" 0.0 | +init "[t^ S46L^ S46 S46R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S47L^ S47 S47R^]:[t^]" 0.0 | +init "[t^ S47L^ S47 S47R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S54L^ S54 S54R^]" 0.0 | +init "" 0.0 | +init "[t^ S23L^ S23 S23R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S42L^ S42 S42R^]:[t^]" 0.0 | +init "[t^ S42L^ S42 S42R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S43L^ S43 S43R^]:[t^]" 0.0 | +init "[t^ S43L^ S43 S43R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S44L^ S44 S44R^]:[t^]" 0.0 | +init "[t^ S44L^ S44 S44R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S45L^ S45 S45R^]:[t^]" 0.0 | +init "[t^ S45L^ S45 S45R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S52L^ S52 S52R^]" 0.0 | +init "" 0.0 | +init "" 5.0 | +init "[t^ S20L^ S20 S20R^]:[t^]" 0.0 | +init "[t^ S20L^ S20 S20R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S21L^ S21 S21R^]:[t^]" 0.0 | +init "[t^ S21L^ S21 S21R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S38L^ S38 S38R^]:[t^]" 0.0 | +init "[t^ S38L^ S38 S38R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S39L^ S39 S39R^]:[t^]" 0.0 | +init "[t^ S39L^ S39 S39R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S44L^ S44 S44R^]:[t^]" 0.0 | +init "[t^ S44L^ S44 S44R^]{t^*}" 0.0 | +init "[t^ S21L^ S21 S21R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S40L^ S40 S40R^]:[t^]" 0.0 | +init "[t^ S40L^ S40 S40R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S41L^ S41 S41R^]:[t^]" 0.0 | +init "[t^ S41L^ S41 S41R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S46L^ S46 S46R^]:[t^]" 0.0 | +init "[t^ S46L^ S46 S46R^]{t^*}" 0.0 | +init "" 45.0 | +init "[t^ S22L^ S22 S22R^]:[t^]" 0.0 | +init "[t^ S22L^ S22 S22R^]{t^*}" 0.0 | +init "" 5.0 | +init "[t^ S20L^ S20 S20R^]:[t^]" 0.0 | +init "[t^ S20L^ S20 S20R^]{t^*}" 0.0 | +init "" 5.0 | +init "[t^ S13L^ S13 S13R^]:[t^]" 0.0 | +init "[t^ S13L^ S13 S13R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S28L^ S28 S28R^]:[t^]" 0.0 | +init "[t^ S28L^ S28 S28R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S29L^ S29 S29R^]:[t^]" 0.0 | +init "[t^ S29L^ S29 S29R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S40L^ S40 S40R^]:[t^]" 0.0 | +init "[t^ S40L^ S40 S40R^]{t^*}" 0.0 | +init "[t^ S13L^ S13 S13R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S32L^ S32 S32R^]:[t^]" 0.0 | +init "[t^ S32L^ S32 S32R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S33L^ S33 S33R^]:[t^]" 0.0 | +init "[t^ S33L^ S33 S33R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S48L^ S48 S48R^]" 0.0 | +init "" 0.0 | +init "[t^ S13L^ S13 S13R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S38L^ S38 S38R^]:[t^]" 0.0 | +init "[t^ S38L^ S38 S38R^]{t^*}" 0.0 | +init "" 45.0 | +init "[t^ S15L^ S15 S15R^]:[t^]" 0.0 | +init "[t^ S15L^ S15 S15R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S30L^ S30 S30R^]:[t^]" 0.0 | +init "[t^ S30L^ S30 S30R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S31L^ S31 S31R^]:[t^]" 0.0 | +init "[t^ S31L^ S31 S31R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S42L^ S42 S42R^]:[t^]" 0.0 | +init "[t^ S42L^ S42 S42R^]{t^*}" 0.0 | +init "[t^ S15L^ S15 S15R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S34L^ S34 S34R^]:[t^]" 0.0 | +init "[t^ S34L^ S34 S34R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S35L^ S35 S35R^]:[t^]" 0.0 | +init "[t^ S35L^ S35 S35R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S50L^ S50 S50R^]" 0.0 | +init "" 0.0 | +init "[t^ S15L^ S15 S15R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S36L^ S36 S36R^]:[t^]" 0.0 | +init "[t^ S36L^ S36 S36R^]{t^*}" 0.0 | +init "" 45.0 | +init "[t^ S17L^ S17 S17R^]:[t^]" 0.0 | +init "[t^ S17L^ S17 S17R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S30L^ S30 S30R^]:[t^]" 0.0 | +init "[t^ S30L^ S30 S30R^]{t^*}" 0.0 | +init "[t^ S17L^ S17 S17R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S32L^ S32 S32R^]:[t^]" 0.0 | +init "[t^ S32L^ S32 S32R^]{t^*}" 0.0 | +init "[t^ S17L^ S17 S17R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S38L^ S38 S38R^]:[t^]" 0.0 | +init "[t^ S38L^ S38 S38R^]{t^*}" 0.0 | +init "" 5.0 | +init "[t^ S19L^ S19 S19R^]:[t^]" 0.0 | +init "[t^ S19L^ S19 S19R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S28L^ S28 S28R^]:[t^]" 0.0 | +init "[t^ S28L^ S28 S28R^]{t^*}" 0.0 | +init "[t^ S19L^ S19 S19R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S34L^ S34 S34R^]:[t^]" 0.0 | +init "[t^ S34L^ S34 S34R^]{t^*}" 0.0 | +init "[t^ S19L^ S19 S19R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S36L^ S36 S36R^]:[t^]" 0.0 | +init "[t^ S36L^ S36 S36R^]{t^*}" 0.0 | +init "" 200.0 | +init "[t^ S21L^ S21 S21R^]:[t^]" 0.0 | +init "{t^*}[S21L^ S21 S21R^ t^]" 0.0 | +init "" 200.0 | +init "[t^ S23L^ S23 S23R^]:[t^]" 0.0 | +init "{t^*}[S23L^ S23 S23R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S29L^ S29 S29R^]:[t^]" 0.0 | +init "{t^*}[S29L^ S29 S29R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S31L^ S31 S31R^]:[t^]" 0.0 | +init "{t^*}[S31L^ S31 S31R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S33L^ S33 S33R^]:[t^]" 0.0 | +init "{t^*}[S33L^ S33 S33R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S35L^ S35 S35R^]:[t^]" 0.0 | +init "{t^*}[S35L^ S35 S35R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S37L^ S37 S37R^]:[t^]" 0.0 | +init "{t^*}[S37L^ S37 S37R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S39L^ S39 S39R^]:[t^]" 0.0 | +init "{t^*}[S39L^ S39 S39R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S41L^ S41 S41R^]:[t^]" 0.0 | +init "{t^*}[S41L^ S41 S41R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S43L^ S43 S43R^]:[t^]" 0.0 | +init "{t^*}[S43L^ S43 S43R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S45L^ S45 S45R^]:[t^]" 0.0 | +init "{t^*}[S45L^ S45 S45R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S47L^ S47 S47R^]:[t^]" 0.0 | +init "{t^*}[S47L^ S47 S47R^ t^]" 0.0 | +init "" 300.0 | +init "[t^ S13L^ S13 S13R^]:[t^]" 0.0 | +init "{t^*}[S13L^ S13 S13R^ t^]" 0.0 | +init "" 300.0 | +init "[t^ S15L^ S15 S15R^]:[t^]" 0.0 | +init "{t^*}[S15L^ S15 S15R^ t^]" 0.0 | +init "" 300.0 | +init "[t^ S17L^ S17 S17R^]:[t^]" 0.0 | +init "{t^*}[S17L^ S17 S17R^ t^]" 0.0 | +init "" 300.0 | +init "[t^ S19L^ S19 S19R^]:[t^]" 0.0 | +init "{t^*}[S19L^ S19 S19R^ t^]" 0.0 | +init "{S20R^* t^*}[S21L^ S21 S21R^]" 30.0 | +init "[S20R^ t^ S21L^ S21 S21R^]" 0.0 | +init "" 0.0 | +init "{S22R^* t^*}[S23L^ S23 S23R^]" 60.0 | +init "[S22R^ t^ S23L^ S23 S23R^]" 0.0 | +init "" 0.0 | +init "{S28R^* t^*}[S29L^ S29 S29R^]" 30.0 | +init "[S28R^ t^ S29L^ S29 S29R^]" 0.0 | +init "" 0.0 | +init "{S30R^* t^*}[S31L^ S31 S31R^]" 60.0 | +init "[S30R^ t^ S31L^ S31 S31R^]" 0.0 | +init "" 0.0 | +init "{S32R^* t^*}[S33L^ S33 S33R^]" 60.0 | +init "[S32R^ t^ S33L^ S33 S33R^]" 0.0 | +init "" 0.0 | +init "{S34R^* t^*}[S35L^ S35 S35R^]" 30.0 | +init "[S34R^ t^ S35L^ S35 S35R^]" 0.0 | +init "" 0.0 | +init "{S36R^* t^*}[S37L^ S37 S37R^]" 110.0 | +init "[S36R^ t^ S37L^ S37 S37R^]" 0.0 | +init "" 0.0 | +init "{S38R^* t^*}[S39L^ S39 S39R^]" 30.0 | +init "[S38R^ t^ S39L^ S39 S39R^]" 0.0 | +init "" 0.0 | +init "{S40R^* t^*}[S41L^ S41 S41R^]" 60.0 | +init "[S40R^ t^ S41L^ S41 S41R^]" 0.0 | +init "" 0.0 | +init "{S42R^* t^*}[S43L^ S43 S43R^]" 30.0 | +init "[S42R^ t^ S43L^ S43 S43R^]" 0.0 | +init "" 0.0 | +init "{S44R^* t^*}[S45L^ S45 S45R^]" 60.0 | +init "[S44R^ t^ S45L^ S45 S45R^]" 0.0 | +init "" 0.0 | +init "{S46R^* t^*}[S47L^ S47 S47R^]" 30.0 | +init "[S46R^ t^ S47L^ S47 S47R^]" 0.0 | +init "" 0.0 | +init "{S12R^* t^*}[S13L^ S13 S13R^]" 10.0 | +init "[S12R^ t^ S13L^ S13 S13R^]" 0.0 | +init "" 0.0 | +init "{S14R^* t^*}[S15L^ S15 S15R^]" 10.0 | +init "[S14R^ t^ S15L^ S15 S15R^]" 0.0 | +init "" 0.0 | +init "{S16R^* t^*}[S17L^ S17 S17R^]" 10.0 | +init "[S16R^ t^ S17L^ S17 S17R^]" 0.0 | +init "" 0.0 | +init "{S18R^* t^*}[S19L^ S19 S19R^]" 10.0 | +init "[S18R^ t^ S19L^ S19 S19R^]" 0.0 | +init "" 0.0 | +"{t^*}[S22L^ S22 S22R^ t^]" + "" <->{5E-05}{26.0} "[t^ S22L^ S22 S22R^]:[t^]" | +"[t^ S22L^ S22 S22R^]:[t^]" <->{26.0}{5E-05} "[t^ S22L^ S22 S22R^]{t^*}" + "" | +"{t^*}[S23L^ S23 S23R^ t^]" + "" <->{5E-05}{26.0} "[t^ S23L^ S23 S23R^]:[t^]" | +"[t^ S23L^ S23 S23R^]:[t^]" <->{26.0}{5E-05} "[t^ S23L^ S23 S23R^]{t^*}" + "" | +"{t^*}[S36L^ S36 S36R^ t^]" + "" <->{5E-05}{26.0} "[t^ S36L^ S36 S36R^]:[t^]" | +"[t^ S36L^ S36 S36R^]:[t^]" <->{26.0}{5E-05} "[t^ S36L^ S36 S36R^]{t^*}" + "" | +"{t^*}[S37L^ S37 S37R^ t^]" + "" <->{5E-05}{26.0} "[t^ S37L^ S37 S37R^]:[t^]" | +"[t^ S37L^ S37 S37R^]:[t^]" <->{26.0}{5E-05} "[t^ S37L^ S37 S37R^]{t^*}" + "" | +"{t^*}[S46L^ S46 S46R^ t^]" + "" <->{5E-05}{26.0} "[t^ S46L^ S46 S46R^]:[t^]" | +"[t^ S46L^ S46 S46R^]:[t^]" <->{26.0}{5E-05} "[t^ S46L^ S46 S46R^]{t^*}" + "" | +"{t^*}[S47L^ S47 S47R^ t^]" + "" <->{5E-05}{26.0} "[t^ S47L^ S47 S47R^]:[t^]" | +"{t^*}[S54L^ S54 S54R^]" + "" ->{5E-05} "[t^ S54L^ S54 S54R^]" + "" | +"[t^ S47L^ S47 S47R^]:[t^]" <->{26.0}{5E-05} "[t^ S47L^ S47 S47R^]{t^*}" + "" | +"{t^*}[S23L^ S23 S23R^ t^]" + "" <->{5E-05}{26.0} "[t^ S23L^ S23 S23R^]:[t^]" | +"[t^ S23L^ S23 S23R^]:[t^]" <->{26.0}{5E-05} "[t^ S23L^ S23 S23R^]{t^*}" + "" | +"{t^*}[S42L^ S42 S42R^ t^]" + "" <->{5E-05}{26.0} "[t^ S42L^ S42 S42R^]:[t^]" | +"[t^ S42L^ S42 S42R^]:[t^]" <->{26.0}{5E-05} "[t^ S42L^ S42 S42R^]{t^*}" + "" | +"{t^*}[S43L^ S43 S43R^ t^]" + "" <->{5E-05}{26.0} "[t^ S43L^ S43 S43R^]:[t^]" | +"[t^ S43L^ S43 S43R^]:[t^]" <->{26.0}{5E-05} "[t^ S43L^ S43 S43R^]{t^*}" + "" | +"{t^*}[S44L^ S44 S44R^ t^]" + "" <->{5E-05}{26.0} "[t^ S44L^ S44 S44R^]:[t^]" | +"[t^ S44L^ S44 S44R^]:[t^]" <->{26.0}{5E-05} "[t^ S44L^ S44 S44R^]{t^*}" + "" | +"{t^*}[S45L^ S45 S45R^ t^]" + "" <->{5E-05}{26.0} "[t^ S45L^ S45 S45R^]:[t^]" | +"{t^*}[S52L^ S52 S52R^]" + "" ->{5E-05} "[t^ S52L^ S52 S52R^]" + "" | +"[t^ S45L^ S45 S45R^]:[t^]" <->{26.0}{5E-05} "[t^ S45L^ S45 S45R^]{t^*}" + "" | +"{t^*}[S20L^ S20 S20R^ t^]" + "" <->{5E-05}{26.0} "[t^ S20L^ S20 S20R^]:[t^]" | +"[t^ S20L^ S20 S20R^]:[t^]" <->{26.0}{5E-05} "[t^ S20L^ S20 S20R^]{t^*}" + "" | +"{t^*}[S21L^ S21 S21R^ t^]" + "" <->{5E-05}{26.0} "[t^ S21L^ S21 S21R^]:[t^]" | +"[t^ S21L^ S21 S21R^]:[t^]" <->{26.0}{5E-05} "[t^ S21L^ S21 S21R^]{t^*}" + "" | +"{t^*}[S38L^ S38 S38R^ t^]" + "" <->{5E-05}{26.0} "[t^ S38L^ S38 S38R^]:[t^]" | +"[t^ S38L^ S38 S38R^]:[t^]" <->{26.0}{5E-05} "[t^ S38L^ S38 S38R^]{t^*}" + "" | +"{t^*}[S39L^ S39 S39R^ t^]" + "" <->{5E-05}{26.0} "[t^ S39L^ S39 S39R^]:[t^]" | +"[t^ S39L^ S39 S39R^]:[t^]" <->{26.0}{5E-05} "[t^ S39L^ S39 S39R^]{t^*}" + "" | +"{t^*}[S44L^ S44 S44R^ t^]" + "" <->{5E-05}{26.0} "[t^ S44L^ S44 S44R^]:[t^]" | +"[t^ S44L^ S44 S44R^]:[t^]" <->{26.0}{5E-05} "[t^ S44L^ S44 S44R^]{t^*}" + "" | +"{t^*}[S21L^ S21 S21R^ t^]" + "" <->{5E-05}{26.0} "[t^ S21L^ S21 S21R^]:[t^]" | +"[t^ S21L^ S21 S21R^]:[t^]" <->{26.0}{5E-05} "[t^ S21L^ S21 S21R^]{t^*}" + "" | +"{t^*}[S40L^ S40 S40R^ t^]" + "" <->{5E-05}{26.0} "[t^ S40L^ S40 S40R^]:[t^]" | +"[t^ S40L^ S40 S40R^]:[t^]" <->{26.0}{5E-05} "[t^ S40L^ S40 S40R^]{t^*}" + "" | +"{t^*}[S41L^ S41 S41R^ t^]" + "" <->{5E-05}{26.0} "[t^ S41L^ S41 S41R^]:[t^]" | +"[t^ S41L^ S41 S41R^]:[t^]" <->{26.0}{5E-05} "[t^ S41L^ S41 S41R^]{t^*}" + "" | +"{t^*}[S46L^ S46 S46R^ t^]" + "" <->{5E-05}{26.0} "[t^ S46L^ S46 S46R^]:[t^]" | +"[t^ S46L^ S46 S46R^]:[t^]" <->{26.0}{5E-05} "[t^ S46L^ S46 S46R^]{t^*}" + "" | +"{t^*}[S22L^ S22 S22R^ t^]" + "" <->{5E-05}{26.0} "[t^ S22L^ S22 S22R^]:[t^]" | +"[t^ S22L^ S22 S22R^]:[t^]" <->{26.0}{5E-05} "[t^ S22L^ S22 S22R^]{t^*}" + "" | +"{t^*}[S20L^ S20 S20R^ t^]" + "" <->{5E-05}{26.0} "[t^ S20L^ S20 S20R^]:[t^]" | +"[t^ S20L^ S20 S20R^]:[t^]" <->{26.0}{5E-05} "[t^ S20L^ S20 S20R^]{t^*}" + "" | +"{t^*}[S13L^ S13 S13R^ t^]" + "" <->{5E-05}{26.0} "[t^ S13L^ S13 S13R^]:[t^]" | +"[t^ S13L^ S13 S13R^]:[t^]" <->{26.0}{5E-05} "[t^ S13L^ S13 S13R^]{t^*}" + "" | +"{t^*}[S28L^ S28 S28R^ t^]" + "" <->{5E-05}{26.0} "[t^ S28L^ S28 S28R^]:[t^]" | +"[t^ S28L^ S28 S28R^]:[t^]" <->{26.0}{5E-05} "[t^ S28L^ S28 S28R^]{t^*}" + "" | +"{t^*}[S29L^ S29 S29R^ t^]" + "" <->{5E-05}{26.0} "[t^ S29L^ S29 S29R^]:[t^]" | +"[t^ S29L^ S29 S29R^]:[t^]" <->{26.0}{5E-05} "[t^ S29L^ S29 S29R^]{t^*}" + "" | +"{t^*}[S40L^ S40 S40R^ t^]" + "" <->{5E-05}{26.0} "[t^ S40L^ S40 S40R^]:[t^]" | +"[t^ S40L^ S40 S40R^]:[t^]" <->{26.0}{5E-05} "[t^ S40L^ S40 S40R^]{t^*}" + "" | +"{t^*}[S13L^ S13 S13R^ t^]" + "" <->{5E-05}{26.0} "[t^ S13L^ S13 S13R^]:[t^]" | +"[t^ S13L^ S13 S13R^]:[t^]" <->{26.0}{5E-05} "[t^ S13L^ S13 S13R^]{t^*}" + "" | +"{t^*}[S32L^ S32 S32R^ t^]" + "" <->{5E-05}{26.0} "[t^ S32L^ S32 S32R^]:[t^]" | +"[t^ S32L^ S32 S32R^]:[t^]" <->{26.0}{5E-05} "[t^ S32L^ S32 S32R^]{t^*}" + "" | +"{t^*}[S33L^ S33 S33R^ t^]" + "" <->{5E-05}{26.0} "[t^ S33L^ S33 S33R^]:[t^]" | +"{t^*}[S48L^ S48 S48R^]" + "" ->{5E-05} "[t^ S48L^ S48 S48R^]" + "" | +"[t^ S33L^ S33 S33R^]:[t^]" <->{26.0}{5E-05} "[t^ S33L^ S33 S33R^]{t^*}" + "" | +"{t^*}[S13L^ S13 S13R^ t^]" + "" <->{5E-05}{26.0} "[t^ S13L^ S13 S13R^]:[t^]" | +"[t^ S13L^ S13 S13R^]:[t^]" <->{26.0}{5E-05} "[t^ S13L^ S13 S13R^]{t^*}" + "" | +"{t^*}[S38L^ S38 S38R^ t^]" + "" <->{5E-05}{26.0} "[t^ S38L^ S38 S38R^]:[t^]" | +"[t^ S38L^ S38 S38R^]:[t^]" <->{26.0}{5E-05} "[t^ S38L^ S38 S38R^]{t^*}" + "" | +"{t^*}[S15L^ S15 S15R^ t^]" + "" <->{5E-05}{26.0} "[t^ S15L^ S15 S15R^]:[t^]" | +"[t^ S15L^ S15 S15R^]:[t^]" <->{26.0}{5E-05} "[t^ S15L^ S15 S15R^]{t^*}" + "" | +"{t^*}[S30L^ S30 S30R^ t^]" + "" <->{5E-05}{26.0} "[t^ S30L^ S30 S30R^]:[t^]" | +"[t^ S30L^ S30 S30R^]:[t^]" <->{26.0}{5E-05} "[t^ S30L^ S30 S30R^]{t^*}" + "" | +"{t^*}[S31L^ S31 S31R^ t^]" + "" <->{5E-05}{26.0} "[t^ S31L^ S31 S31R^]:[t^]" | +"[t^ S31L^ S31 S31R^]:[t^]" <->{26.0}{5E-05} "[t^ S31L^ S31 S31R^]{t^*}" + "" | +"{t^*}[S42L^ S42 S42R^ t^]" + "" <->{5E-05}{26.0} "[t^ S42L^ S42 S42R^]:[t^]" | +"[t^ S42L^ S42 S42R^]:[t^]" <->{26.0}{5E-05} "[t^ S42L^ S42 S42R^]{t^*}" + "" | +"{t^*}[S15L^ S15 S15R^ t^]" + "" <->{5E-05}{26.0} "[t^ S15L^ S15 S15R^]:[t^]" | +"[t^ S15L^ S15 S15R^]:[t^]" <->{26.0}{5E-05} "[t^ S15L^ S15 S15R^]{t^*}" + "" | +"{t^*}[S34L^ S34 S34R^ t^]" + "" <->{5E-05}{26.0} "[t^ S34L^ S34 S34R^]:[t^]" | +"[t^ S34L^ S34 S34R^]:[t^]" <->{26.0}{5E-05} "[t^ S34L^ S34 S34R^]{t^*}" + "" | +"{t^*}[S35L^ S35 S35R^ t^]" + "" <->{5E-05}{26.0} "[t^ S35L^ S35 S35R^]:[t^]" | +"{t^*}[S50L^ S50 S50R^]" + "" ->{5E-05} "[t^ S50L^ S50 S50R^]" + "" | +"[t^ S35L^ S35 S35R^]:[t^]" <->{26.0}{5E-05} "[t^ S35L^ S35 S35R^]{t^*}" + "" | +"{t^*}[S15L^ S15 S15R^ t^]" + "" <->{5E-05}{26.0} "[t^ S15L^ S15 S15R^]:[t^]" | +"[t^ S15L^ S15 S15R^]:[t^]" <->{26.0}{5E-05} "[t^ S15L^ S15 S15R^]{t^*}" + "" | +"{t^*}[S36L^ S36 S36R^ t^]" + "" <->{5E-05}{26.0} "[t^ S36L^ S36 S36R^]:[t^]" | +"[t^ S36L^ S36 S36R^]:[t^]" <->{26.0}{5E-05} "[t^ S36L^ S36 S36R^]{t^*}" + "" | +"{t^*}[S17L^ S17 S17R^ t^]" + "" <->{5E-05}{26.0} "[t^ S17L^ S17 S17R^]:[t^]" | +"[t^ S17L^ S17 S17R^]:[t^]" <->{26.0}{5E-05} "[t^ S17L^ S17 S17R^]{t^*}" + "" | +"{t^*}[S30L^ S30 S30R^ t^]" + "" <->{5E-05}{26.0} "[t^ S30L^ S30 S30R^]:[t^]" | +"[t^ S30L^ S30 S30R^]:[t^]" <->{26.0}{5E-05} "[t^ S30L^ S30 S30R^]{t^*}" + "" | +"{t^*}[S17L^ S17 S17R^ t^]" + "" <->{5E-05}{26.0} "[t^ S17L^ S17 S17R^]:[t^]" | +"[t^ S17L^ S17 S17R^]:[t^]" <->{26.0}{5E-05} "[t^ S17L^ S17 S17R^]{t^*}" + "" | +"{t^*}[S32L^ S32 S32R^ t^]" + "" <->{5E-05}{26.0} "[t^ S32L^ S32 S32R^]:[t^]" | +"[t^ S32L^ S32 S32R^]:[t^]" <->{26.0}{5E-05} "[t^ S32L^ S32 S32R^]{t^*}" + "" | +"{t^*}[S17L^ S17 S17R^ t^]" + "" <->{5E-05}{26.0} "[t^ S17L^ S17 S17R^]:[t^]" | +"[t^ S17L^ S17 S17R^]:[t^]" <->{26.0}{5E-05} "[t^ S17L^ S17 S17R^]{t^*}" + "" | +"{t^*}[S38L^ S38 S38R^ t^]" + "" <->{5E-05}{26.0} "[t^ S38L^ S38 S38R^]:[t^]" | +"[t^ S38L^ S38 S38R^]:[t^]" <->{26.0}{5E-05} "[t^ S38L^ S38 S38R^]{t^*}" + "" | +"{t^*}[S19L^ S19 S19R^ t^]" + "" <->{5E-05}{26.0} "[t^ S19L^ S19 S19R^]:[t^]" | +"[t^ S19L^ S19 S19R^]:[t^]" <->{26.0}{5E-05} "[t^ S19L^ S19 S19R^]{t^*}" + "" | +"{t^*}[S28L^ S28 S28R^ t^]" + "" <->{5E-05}{26.0} "[t^ S28L^ S28 S28R^]:[t^]" | +"[t^ S28L^ S28 S28R^]:[t^]" <->{26.0}{5E-05} "[t^ S28L^ S28 S28R^]{t^*}" + "" | +"{t^*}[S19L^ S19 S19R^ t^]" + "" <->{5E-05}{26.0} "[t^ S19L^ S19 S19R^]:[t^]" | +"[t^ S19L^ S19 S19R^]:[t^]" <->{26.0}{5E-05} "[t^ S19L^ S19 S19R^]{t^*}" + "" | +"{t^*}[S34L^ S34 S34R^ t^]" + "" <->{5E-05}{26.0} "[t^ S34L^ S34 S34R^]:[t^]" | +"[t^ S34L^ S34 S34R^]:[t^]" <->{26.0}{5E-05} "[t^ S34L^ S34 S34R^]{t^*}" + "" | +"{t^*}[S19L^ S19 S19R^ t^]" + "" <->{5E-05}{26.0} "[t^ S19L^ S19 S19R^]:[t^]" | +"[t^ S19L^ S19 S19R^]:[t^]" <->{26.0}{5E-05} "[t^ S19L^ S19 S19R^]{t^*}" + "" | +"{t^*}[S36L^ S36 S36R^ t^]" + "" <->{5E-05}{26.0} "[t^ S36L^ S36 S36R^]:[t^]" | +"[t^ S36L^ S36 S36R^]:[t^]" <->{26.0}{5E-05} "[t^ S36L^ S36 S36R^]{t^*}" + "" | +"[t^ S21L^ S21 S21R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S21L^ S21 S21R^]:[t^]" | +"[t^ S21L^ S21 S21R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S21L^ S21 S21R^ t^]" + "" | +"[t^ S23L^ S23 S23R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S23L^ S23 S23R^]:[t^]" | +"[t^ S23L^ S23 S23R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S23L^ S23 S23R^ t^]" + "" | +"[t^ S29L^ S29 S29R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S29L^ S29 S29R^]:[t^]" | +"[t^ S29L^ S29 S29R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S29L^ S29 S29R^ t^]" + "" | +"[t^ S31L^ S31 S31R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S31L^ S31 S31R^]:[t^]" | +"[t^ S31L^ S31 S31R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S31L^ S31 S31R^ t^]" + "" | +"[t^ S33L^ S33 S33R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S33L^ S33 S33R^]:[t^]" | +"[t^ S33L^ S33 S33R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S33L^ S33 S33R^ t^]" + "" | +"[t^ S35L^ S35 S35R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S35L^ S35 S35R^]:[t^]" | +"[t^ S35L^ S35 S35R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S35L^ S35 S35R^ t^]" + "" | +"[t^ S37L^ S37 S37R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S37L^ S37 S37R^]:[t^]" | +"[t^ S37L^ S37 S37R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S37L^ S37 S37R^ t^]" + "" | +"[t^ S39L^ S39 S39R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S39L^ S39 S39R^]:[t^]" | +"[t^ S39L^ S39 S39R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S39L^ S39 S39R^ t^]" + "" | +"[t^ S41L^ S41 S41R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S41L^ S41 S41R^]:[t^]" | +"[t^ S41L^ S41 S41R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S41L^ S41 S41R^ t^]" + "" | +"[t^ S43L^ S43 S43R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S43L^ S43 S43R^]:[t^]" | +"[t^ S43L^ S43 S43R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S43L^ S43 S43R^ t^]" + "" | +"[t^ S45L^ S45 S45R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S45L^ S45 S45R^]:[t^]" | +"[t^ S45L^ S45 S45R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S45L^ S45 S45R^ t^]" + "" | +"[t^ S47L^ S47 S47R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S47L^ S47 S47R^]:[t^]" | +"[t^ S47L^ S47 S47R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S47L^ S47 S47R^ t^]" + "" | +"[t^ S13L^ S13 S13R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S13L^ S13 S13R^]:[t^]" | +"[t^ S13L^ S13 S13R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S13L^ S13 S13R^ t^]" + "" | +"[t^ S15L^ S15 S15R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S15L^ S15 S15R^]:[t^]" | +"[t^ S15L^ S15 S15R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S15L^ S15 S15R^ t^]" + "" | +"[t^ S17L^ S17 S17R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S17L^ S17 S17R^]:[t^]" | +"[t^ S17L^ S17 S17R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S17L^ S17 S17R^ t^]" + "" | +"[t^ S19L^ S19 S19R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S19L^ S19 S19R^]:[t^]" | +"[t^ S19L^ S19 S19R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S19L^ S19 S19R^ t^]" + "" | +"{S20R^* t^*}[S21L^ S21 S21R^]" + "" ->{0.00205} "[S20R^ t^ S21L^ S21 S21R^]" + "" | +"{S22R^* t^*}[S23L^ S23 S23R^]" + "" ->{0.00205} "[S22R^ t^ S23L^ S23 S23R^]" + "" | +"{S28R^* t^*}[S29L^ S29 S29R^]" + "" ->{0.00205} "[S28R^ t^ S29L^ S29 S29R^]" + "" | +"{S30R^* t^*}[S31L^ S31 S31R^]" + "" ->{0.00205} "[S30R^ t^ S31L^ S31 S31R^]" + "" | +"{S32R^* t^*}[S33L^ S33 S33R^]" + "" ->{0.00205} "[S32R^ t^ S33L^ S33 S33R^]" + "" | +"{S34R^* t^*}[S35L^ S35 S35R^]" + "" ->{0.00205} "[S34R^ t^ S35L^ S35 S35R^]" + "" | +"{S36R^* t^*}[S37L^ S37 S37R^]" + "" ->{0.00205} "[S36R^ t^ S37L^ S37 S37R^]" + "" | +"{S38R^* t^*}[S39L^ S39 S39R^]" + "" ->{0.00205} "[S38R^ t^ S39L^ S39 S39R^]" + "" | +"{S40R^* t^*}[S41L^ S41 S41R^]" + "" ->{0.00205} "[S40R^ t^ S41L^ S41 S41R^]" + "" | +"{S42R^* t^*}[S43L^ S43 S43R^]" + "" ->{0.00205} "[S42R^ t^ S43L^ S43 S43R^]" + "" | +"{S44R^* t^*}[S45L^ S45 S45R^]" + "" ->{0.00205} "[S44R^ t^ S45L^ S45 S45R^]" + "" | +"{S46R^* t^*}[S47L^ S47 S47R^]" + "" ->{0.00205} "[S46R^ t^ S47L^ S47 S47R^]" + "" | +"{S12R^* t^*}[S13L^ S13 S13R^]" + "" ->{0.00205} "[S12R^ t^ S13L^ S13 S13R^]" + "" | +"{S14R^* t^*}[S15L^ S15 S15R^]" + "" ->{0.00205} "[S14R^ t^ S15L^ S15 S15R^]" + "" | +"{S16R^* t^*}[S17L^ S17 S17R^]" + "" ->{0.00205} "[S16R^ t^ S17L^ S17 S17R^]" + "" | +"{S18R^* t^*}[S19L^ S19 S19R^]" + "" ->{0.00205} "[S18R^ t^ S19L^ S19 S19R^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Qian And Winfree 4 Bit Square Root Circuit.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Qian And Winfree 4 Bit Square Root Circuit.dna new file mode 100644 index 0000000..8eac98a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Qian And Winfree 4 Bit Square Root Circuit.dna @@ -0,0 +1,329 @@ +(* Qian and Winfree 4 bit square root circuit *) +(* Simulate in Finite mode with Stochastic simulator withouts leaks and unproductive reactions *) + +(* Simulate for 10 hours and collect 10000 data points*) +directive duration 36000.0 points 10000 + +(* Simulate a population of 1000 molecules *) +directive scale 20.0 + +(* Plot the outputs *) +directive plot <_ _ _ y2_0> (* y2^0 *) +directive plot < _ _ _ y2_1> (* y2^1 *) +directive plot <_ _ _ y1_0> (* y1^0 *) +directive plot <_ _ _ y1_1> (* y1^1 *) + +(* Rates at 25 C from the Qian and Winfree 2011 (page 48 SI) *) +(* Long toeholds bind fast and unbind slowly while short toeholds bind slow and unbind faster*) +directive toeholds 2.0E-3 1.3 (* Long toehold binding rate 2x10^-3 /nM/s, unbinding rates 1.3/s*) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +(* Short toehold *) +dom t={seq = TCT; bind=shorttoeholdbind; unbind=shorttoeholdunbind} +(* All other toeholds are long and have the default rates set in the toeholds directive above *) + +dom S1 = {seq=CATCCATTCCACTCA} +dom S2 = {seq=CAAAACAAAACCTCA} +dom S3 = {seq=CACCCTAAAATCTCA} +dom S4 = {seq=CACATAACAACCACA } +dom S5L = {seq=CACC} +dom S5 = {seq=ACCAAAC} +dom S5R = {seq=TTCA } +dom S6 = {seq=CATAACACAATCACA} +dom S7L = {seq=CAAC} +dom S7 = {seq=ATATCAA} +dom S7R = {seq=TTCA } +dom S8 = {seq=CACTAACATACAACA } +dom S9L = {seq=CACC} +dom S9 = {seq=ATCAAAT} +dom S9R = {seq=AACA} +dom S10 = {seq=CATACAACATCTACA } +dom S11L = {seq=CAAT} +dom S11 = {seq=ATCCATA} +dom S11R = {seq=ACCA } +dom S12L = {seq=CATC} +dom S12 = {seq=AATCAAC} +dom S12R = {seq=ACCA} +dom S13L = {seq=CACA} +dom S13 = {seq=ACTCATT} +dom S13R = {seq=ACCA } +dom S14L = {seq=CATT} +dom S14 = {seq=ATTCAAA} +dom S14R = {seq=CCCA } +dom S15L = {seq=CACA} +dom S15 = {seq=CTATAAT} +dom S15R = {seq=TCCA} +dom S16L = {seq=CACT} +dom S16 = {seq=TCATAAA} +dom S16R = {seq=TCCA } +dom S17L = {seq=CAAC} +dom S17 = {seq=TCCTAAT} +dom S17R = {seq=ATCA } +dom S18L = {seq=CATC} +dom S18 = {seq=TTCTAAC} +dom S18R = {seq=ATCA} +dom S19L = {seq=CACC} +dom S19 = {seq=TCTTAAA} +dom S19R = {seq=CACA } +dom S20L = {seq=CAAT} +dom S20 = {seq=CTAACAC} +dom S20R = {seq=TCCA } +dom S21L = {seq=CAAC} +dom S21 = {seq=CATACTA} +dom S21R = {seq=AACA} +dom S22L = {seq=CATT} +dom S22 = {seq=CCTACAT} +dom S22R = {seq=TTCA } +dom S23L = {seq=CAAA} +dom S23 = {seq=TCTTCAT} +dom S23R = {seq=CCCA } +dom S24 = {seq=CACTCATCCTTTACA} +dom S25 = {seq=CAATTCACTCAATCA } +dom S26 = {seq=CATTCATTACCTCCA } +dom S27 = {seq=CAAACACTCTATTCA} +dom S28L = {seq=CATC} +dom S28 = {seq=TACAATT} +dom S28R = {seq=CACA } +dom S29L = {seq=CACC} +dom S29 = {seq=AATACTC} +dom S29R = {seq=CTCA } +dom S30L = {seq=CACC} +dom S30 = {seq=ATTACAA} +dom S30R = {seq=TCCA} +dom S31L = {seq=CAAT} +dom S31 = {seq=CCACACT} +dom S31R = {seq=TCCA } +dom S32L = {seq=CACA} +dom S32 = {seq=CTTCAAA} +dom S32R = {seq=CTCA } +dom S33L = {seq=CAAC} +dom S33 = {seq=TCAAACA} +dom S33R = {seq=TACA} +dom S34L = {seq=CACA} +dom S34 = {seq=TAACAAA} +dom S34R = {seq=ACCA } +dom S35L = {seq=CACT} +dom S35 = {seq=CTCCATC} +dom S35R = {seq=ACCA } +dom S36L = {seq=CAAA} +dom S36 = {seq=CTAAACA} +dom S36R = {seq=ACCA} +dom S37L = {seq=CACC} +dom S37 = {seq=TCTTCCC} +dom S37R = {seq=TTCA } +dom S38L = {seq=CATA} +dom S38 = {seq=CCCTTTT} +dom S38R = {seq=CTCA } +dom S39L = {seq=CACT} +dom S39 = {seq=ATACACA} +dom S39R = {seq=CCCA} +dom S40L = {seq=CAAT} +dom S40 = {seq=ACAAATC} +dom S40R = {seq=CACA } +dom S41L = {seq=CAAC} +dom S41 = {seq=AAACCAT} +dom S41R = {seq=TACA } +dom S42L = {seq=CACT} +dom S42 = {seq=TTTCACT} +dom S42R = {seq=ATCA} +dom S43L = {seq=CATC} +dom S43 = {seq=ATACCTA} +dom S43R = {seq=CTCA } +dom S44L = {seq=CAAA} +dom S44 = {seq=ACTCTCT} +dom S44R = {seq=CTCA } +dom S45L = {seq=CACC} +dom S45 = {seq=CAAAACC} +dom S45R = {seq=CACA} +dom S46L = {seq=CAAA} +dom S46 = {seq=CCCAACT} +dom S46R = {seq=CACA } +dom S47L = {seq=CATT} +dom S47 = {seq=CTCCCAC} +dom S47R = {seq=CTCA } +dom S48L = {seq=CATC} +dom S48 = {seq=ACCACTA} +dom S48R = {seq=TACA} +dom S49L = {seq=CATC} +dom S49 = {seq=CTTAACT} +dom S49R = {seq=CCCA } +dom S50L = {seq=CATT} +dom S50 = {seq=ACCAACC} +dom S50R = {seq=ACCA } +dom S51L = {seq=CACA} +dom S51 = {seq=AACTACA} +dom S51R = {seq=TCCA} +dom S52L = {seq=CACT} +dom S52 = {seq=TCACAAC} +dom S52R = {seq=TACA } +dom S53L = {seq=CATA} +dom S53 = {seq=TCTAATC} +dom S53R = {seq=TCCA } +dom fL = {seq=CATT} +dom f = {seq=TTTTTTT} +dom fR = {seq=TTCA} + +(* Set concentration with 1x = 50 nM *) +def N = 5 (* 0.1x standard concentration *) +def OFF = 1*N (* logic OFF value = 0.1, conc = 5 nM *) +def ON = 9*N (* logic ON value = 0.9, conc = 45 nM*) + +(* a seesaw signal *) +def signal(N,(iL,i,iR),(jL,j,jR)) = ( N * ) + +(* a seesaw gate with signal bound by the left side *) +def gateL(N,(iL,i,iR),(jL,j,jR)) = ( N * {t^*}:[iL^ i iR^ t^] ) + +(* a seesaw gate with signal bound by the right side *) +def gateR(N,(iL,i,iR),(jL,j,jR)) = ( N * [t^ jL^ j jR^]:{t^*} ) + +(* a seesaw threshold with signal coming in from the left side *) +def thresholdL(N,(iL,i,iR),(jL,j,jR)) = ( N * {iR^* t^*}[jL^ j jR^] ) + +(* a seesaw threshold with signal coming in from the right side *) +def thresholdR(N,(iL,i,iR),(jL,j,jR)) = ( N * [iL^ i iR^]{t^* jL^*} ) + +(* a seesaw reporter *) +def reporter(N,(iL,i,iR),Fluor) = ( N * {t^*}:[iL^ i iR^] ) + +def F = (fL,f,fR) + + +(* 2-input 2-output seesaw OR gate *) +def seesawOR2I2O(I1,I2,K1,K2) = +( gateL(20*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| gateL(10*N,I2,K2) +| signal(40*N,I2,F)) + +(* 2-input 2-output seesaw AND gate *) +def seesawAND2I2O(I1,I2,K1,K2) = +( gateL(20*N,I1,I2) +| thresholdL(12*N,I1,I2) +| gateL(10*N,I2,K1) +| gateL(10*N,I2,K2) +| signal(40*N,I2,F)) + +(* 2-input 1-output seesaw OR gate *) +def seesawOR2I1O(I1,I2,K1) = +( gateL(20*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 2-input 1-output seesaw AND gate *) +def seesawAND2I1O(I1,I2,K1) = +( gateL(20*N,I1,I2) +| thresholdL(12*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 3-input 1-output seesaw AND gate *) +def seesawAND3I1O(I1,I2,K1) = +( gateL(30*N,I1,I2) +| thresholdL(22*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 3-input 1-output seesaw OR gate *) +def seesawOR3I1O(I1,I2,K1) = +( gateL(30*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* input fanout gate with 3 outputs *) +def inputfanout3O(J,I,K1,K2,K3) = +( thresholdL(2*N,J,I) +| gateL(10*N,I,K1) +| gateL(10*N,I,K2) +| gateL(10*N,I,K3) +| signal(60*N,I,F)) + +(* reporter with signal restoration *) +def reporterREST(I1,I2,I3) = +( gateL(10*N,I1,I2) +| thresholdL(4*N,I1,I2) +| gateL(10*N,I2,I3) +| signal(20*N,I2,F)) + + + +def X5 = (S5L,S5,S5R) +def X7 = (S7L,S7,S7R) +def X9 = (S9L,S9,S9R) +def X11 = (S11L,S11,S11R) +def X12 = (S12L,S12,S12R) +def X13 = (S13L,S13,S13R) +def X14 = (S14L,S14,S14R) +def X15 = (S15L,S15,S15R) +def X16 = (S16L,S16,S16R) +def X17 = (S17L,S17,S17R) +def X18 = (S18L,S18,S18R) +def X19 = (S19L,S19,S19R) +def X20 = (S20L,S20,S20R) +def X21 = (S21L,S21,S21R) +def X22 = (S22L,S22,S22R) +def X23 = (S23L,S23,S23R) +def X28 = (S28L,S28,S28R) +def X29 = (S29L,S29,S29R) +def X30 = (S30L,S30,S30R) +def X31 = (S31L,S31,S31R) +def X32 = (S32L,S32,S32R) +def X33 = (S33L,S33,S33R) +def X34 = (S34L,S34,S34R) +def X35 = (S35L,S35,S35R) +def X36 = (S36L,S36,S36R) +def X37 = (S37L,S37,S37R) +def X38 = (S38L,S38,S38R) +def X39 = (S39L,S39,S39R) +def X40 = (S40L,S40,S40R) +def X41 = (S41L,S41,S41R) +def X42 = (S42L,S42,S42R) +def X43 = (S43L,S43,S43R) +def X44 = (S44L,S44,S44R) +def X45 = (S45L,S45,S45R) +def X46 = (S46L,S46,S46R) +def X47 = (S47L,S47,S47R) +def X48 = (S48L,S48,S48R) +def X49 = (S49L,S49,S49R) +def X50 = (S50L,S50,S50R) +def X52 = (S52L,S52,S52R) +new S54L new S54 new S54R +def X54 = (S54L,S54,S54R) + + +(* 4 bit square root circuit in dual rail: Input set to 4 = 0100 *) +( signal(ON,X5,X22) (* x1^0 *) +| signal(OFF,X7,X20) (* x1^1 *) +| signal(ON,X9,X22) (* x2^0 *) +| signal(OFF,X11,X20) (* x2^1 *) +| signal(OFF,X12,X13) (* x3^0 *) +| signal(ON,X14,X15) (* x3^1 *) +| signal(ON,X16,X17) (* x4^0 *) +| signal(OFF,X18,X19) (* x4^1 *) +| seesawOR2I2O(X20,X21,X38,X40) +| seesawAND2I2O(X22,X23,X36,X42) +| seesawOR2I1O(X28,X29,X40) +| seesawAND2I1O(X30,X31,X42) +| seesawAND2I1O(X32,X33,X48) +| seesawOR2I1O(X34,X35,X50) +| seesawAND3I1O(X36,X37,X46) +| seesawOR3I1O(X38,X39,X44) +| seesawAND2I1O(X40,X41,X46) +| seesawOR2I1O(X42,X43,X44) +| seesawAND2I1O(X44,X45,X52) +| seesawOR2I1O(X46,X47,X54) +| inputfanout3O(X12,X13,X28,X32,X38) +| inputfanout3O(X14,X15,X30,X34,X36) +| inputfanout3O(X16,X17,X30,X32,X38) +| inputfanout3O(X18,X19,X28,X34,X36) +| reporter(15*N,X48,y2_0) +| reporter(15*N,X50,y2_1) +| reporter(15*N,X52,y1_0) +| reporter(15*N,X54,y1_1) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized Fanout).crn b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized Fanout).crn new file mode 100644 index 0000000..9995245 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized Fanout).crn @@ -0,0 +1,200 @@ +directive sample 0.0,36000.0 2000 +directive plot ""; ""; ""; "" + +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" 1000.0 | +init "{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" 1000.0 | +init "{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" 1000.0 | +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta2^]" 1000.0 | +init "{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" 1000.0 | +init "{T^*}[x3_0a]:[x3_0b T^]:[x4_0a]:[x4_0b Tmsb_0^]" 1000.0 | +init "" 1000.0 | +init "{T^*}[x4_0a]:[x4_0b Tx4_0o^]" 2000.0 | +init "" 1000.0 | +init "{T^*}[x4_1a]:[x4_1b Tx4_1o^]" 2000.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x2_1a]:[x2_1b Ta6^]" 1000.0 | +init "{T^*}[x1_1a]:[x1_1b Ta6^]" 1000.0 | +init "{Ta8^*}[a8a]:[a8b Ta10^]" 1000.0 | +init "{Ta7^*}[a7a]:[a7b Ta10^]" 1000.0 | +init "{T^*}[x2_1a]:[x2_1b Ta1^]" 1000.0 | +init "{T^*}[x1_1a]:[x1_1b Ta1^]" 1000.0 | +init "{T^*}[x3_0a]:[x3_0b Ta3^]" 1000.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" 1000.0 | +init "{Ta5^*}[a5a]:[a5b Tlsb_1^]" 1000.0 | +init "{Ta4^*}[a4a]:[a4b Tlsb_1^]" 1000.0 | +init "{T^*}[x4_1a]:[x4_1b Tmsb_1^]" 1000.0 | +init "{T^*}[x3_1a]:[x3_1b Tmsb_1^]" 1000.0 | +init "{Tlsb_0^*}[LSB_0a LSB_0b]" 1000.0 | +init "{Tlsb_1^*}[LSB_1a LSB_1b]" 1000.0 | +init "{Tmsb_0^*}[MSB_0a MSB_0b]" 1000.0 | +init "{Tmsb_1^*}[MSB_1a MSB_1b]" 1000.0 | +init "" 0.0 | +init "[T^ x4_0a x4_0b]{Tx4_0o^*}" 0.0 | +init "{T^*}[x4_0a x4_0b Tx4_0o^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 3000.0 | +init "[T^ x4_1a x4_1b]{Tx4_1o^*}" 0.0 | +init "{T^*}[x4_1a x4_1b Tx4_1o^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x4_1a x4_1b]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" 0.0 | +init "[T^ x3_0a x3_0b]:[T^ x4_0a x4_0b]{Tmsb_0^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_0^ MSB_0a MSB_0b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_0a x3_0b]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 3000.0 | +init "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" 0.0 | +init "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta8^ a8a a8b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_1a x3_1b]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "" 3000.0 | +init "[T^ x2_1a x2_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x2_1a x2_1b]{Ta1^*}" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta5^ a5a a5b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta7^ a7a a7b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta2^*}" 0.0 | +init "" 0.0 | +init "" 3000.0 | +init "[T^ x1_1a x1_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_1a x1_1b]{Ta1^*}" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 1000.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta4^ a4a a4b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" 1000.0 | +init "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_0^ LSB_0a LSB_0b]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x3_0a]:[x3_0b Ta9^]" 1000.0 | +init "[T^ x3_0a x3_0b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "{Ta6^*}[a6a]:[a6b Ta9^]" 1000.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +"{T^*}[x4_0a]:[x4_0b Tx4_0o^]" + "" ->{0.0003} "[T^ x4_0a x4_0b]{Tx4_0o^*}" + "" + "" | +"[T^ x4_0a x4_0b]{Tx4_0o^*}" + "" <->{0.0003}{0.0003} "{T^*}[x4_0a x4_0b Tx4_0o^]" + "" | +"{T^*}[x4_1a]:[x4_1b Tx4_1o^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]{Tx4_1o^*}" + "" + "" | +"{T^*}[x4_1a]:[x4_1b Tmsb_1^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]{Tmsb_1^*}" + "" + "" | +"[T^ x4_1a x4_1b]{Tx4_1o^*}" + "" <->{0.0003}{0.0003} "{T^*}[x4_1a x4_1b Tx4_1o^]" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0003} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T^*}[x3_0a]:[x3_0b T^]:[x4_0a]:[x4_0b Tmsb_0^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" + "" + "" | +"{T^*}[x3_0a]:[x3_0b Ta3^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{Ta3^*}" + "" + "" | +"[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]:[T^ x4_0a x4_0b]{Tmsb_0^*}" + "" + "" | +"{Tmsb_0^*}[MSB_0a MSB_0b]" + "" ->{0.0003} "[Tmsb_0^ MSB_0a MSB_0b]" + "" | +"{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" + "" | +"{T^*}[x3_1a]:[x3_1b Tmsb_1^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]{Tmsb_1^*}" + "" + "" | +"[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" + "" + "" | +"{Ta8^*}[a8a]:[a8b Ta10^]" + "" ->{0.0003} "[Ta8^ a8a a8b]{Ta10^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0003} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T^*}[x2_1a]:[x2_1b Ta6^]" + "" ->{0.0003} "[T^ x2_1a x2_1b]{Ta6^*}" + "" + "" | +"{T^*}[x2_1a]:[x2_1b Ta1^]" + "" ->{0.0003} "[T^ x2_1a x2_1b]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Ta5^*}[a5a]:[a5b Tlsb_1^]" + "" ->{0.0003} "[Ta5^ a5a a5b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0003} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta2^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" + "" + "" | +"{Ta7^*}[a7a]:[a7b Ta10^]" + "" ->{0.0003} "[Ta7^ a7a a7b]{Ta10^*}" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta2^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta6^]" + "" ->{0.0003} "[T^ x1_1a x1_1b]{Ta6^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta1^]" + "" ->{0.0003} "[T^ x1_1a x1_1b]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" + "" + "" | +"{Ta4^*}[a4a]:[a4b Tlsb_1^]" + "" ->{0.0003} "[Ta4^ a4a a4b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0003} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" + "" ->{0.0003} "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Tlsb_0^*}[LSB_0a LSB_0b]" + "" ->{0.0003} "[Tlsb_0^ LSB_0a LSB_0b]" + "" | +"{T^*}[x3_0a]:[x3_0b Ta9^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0003} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0003} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized Fanout).dna b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized Fanout).dna new file mode 100644 index 0000000..9c8ab28 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized Fanout).dna @@ -0,0 +1,126 @@ + (*------------------------------------------------------------------------------------ +Circuit : 4 bit square root in dual rail logic +Description : No private domains are used. The circuit does not terminate + (no state is reached where no reactions are possible) +Notes : Use Compilation: Infinite; Set lower copies for simulation +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 + +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 15 (* Input number *) +def Copies = 1000 (* Number of copies of the circuit *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = 1.0 +def x2 = 1.0 +def x3 = 1.0 +def x4 = 1.0 + +def MSB(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized).crn b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized).crn new file mode 100644 index 0000000..86769da --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized).crn @@ -0,0 +1,227 @@ +directive sample 0.0,36000.0 2000 +directive plot ""; ""; ""; "" + +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" 1000.0 | +init "{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" 1000.0 | +init "{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" 1000.0 | +init "{T.17^*}[x1_0a.1]:[x1_0b.2 T.17^]:[x2_0a.5]:[x2_0b.6 Ta2^]" 1000.0 | +init "{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" 1000.0 | +init "{T.34^*}[x3_0a.26]:[x3_0b.27 T.34^]:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" 1000.0 | +init "" 1000.0 | +init "{T^*}[x4_0a]:[x4_0b Tx4_0o^]" 2000.0 | +init "" 1000.0 | +init "{T.17^*}[x4_1a.15]:[x4_1b.16 Tx4_1o^]" 2000.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x2_1a]:[x2_1b Ta6^]" 1000.0 | +init "{T^*}[x1_1a]:[x1_1b Ta6^]" 1000.0 | +init "{Ta8^*}[a8a]:[a8b Ta10^]" 1000.0 | +init "{Ta7^*}[a7a]:[a7b Ta10^]" 1000.0 | +init "{T.17^*}[x2_1a.7]:[x2_1b.8 Ta1^]" 1000.0 | +init "{T.17^*}[x1_1a.3]:[x1_1b.4 Ta1^]" 1000.0 | +init "{T.17^*}[x3_0a.9]:[x3_0b.10 Ta3^]" 1000.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" 1000.0 | +init "{Ta5^*}[a5a]:[a5b Tlsb_1^]" 1000.0 | +init "{Ta4^*}[a4a]:[a4b Tlsb_1^]" 1000.0 | +init "{T.34^*}[x4_1a.32]:[x4_1b.33 Tmsb_1^]" 1000.0 | +init "{T.34^*}[x3_1a.28]:[x3_1b.29 Tmsb_1^]" 1000.0 | +init "{Tlsb_0^*}[LSB_0a LSB_0b]" 1000.0 | +init "{Tlsb_1^*}[LSB_1a LSB_1b]" 1000.0 | +init "{Tmsb_0^*}[MSB_0a MSB_0b]" 1000.0 | +init "{Tmsb_1^*}[MSB_1a MSB_1b]" 1000.0 | +init "" 0.0 | +init "[T^ x4_0a x4_0b]{Tx4_0o^*}" 0.0 | +init "{T^*}[x4_0a x4_0b Tx4_0o^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" 0.0 | +init "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta8^ a8a a8b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T^ x2_1a x2_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta7^ a7a a7b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T^ x1_1a x1_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.17^ x4_1a.15 x4_1b.16]{Tx4_1o^*}" 0.0 | +init "{T.17^*}[x4_1a.15 x4_1b.16 Tx4_1o^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T.17^ x3_0a.9 x3_0b.10]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.17^ x2_1a.7 x2_1b.8]{Ta1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta5^ a5a a5b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T.17^ x1_0a.1 x1_0b.2]{T.17^*}:[x2_0a.5]:[x2_0b.6 Ta2^]" 0.0 | +init "[T.17^ x1_0a.1 x1_0b.2]:[T.17^ x2_0a.5 x2_0b.6]{Ta2^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.17^ x1_1a.3 x1_1b.4]{Ta1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.34^ x4_1a.32 x4_1b.33]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "[T.34^ x3_0a.26 x3_0b.27]{T.34^*}:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" 0.0 | +init "[T.34^ x3_0a.26 x3_0b.27]:[T.34^ x4_0a.30 x4_0b.31]{Tmsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tmsb_0^ MSB_0a MSB_0b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.34^ x3_1a.28 x3_1b.29]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "" 0.0 | +init "" 1000.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob T.17^]:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" 1000.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{T.17^*}:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]{Ta2^*}:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]:[Ta2^ a2a a2b]{Ta4^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta4^ a4a a4b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" 1000.0 | +init "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_0^ LSB_0a LSB_0b]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x3_0a]:[x3_0b Ta9^]" 1000.0 | +init "[T^ x3_0a x3_0b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "{Ta6^*}[a6a]:[a6b Ta9^]" 1000.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +"{T^*}[x4_0a]:[x4_0b Tx4_0o^]" + "" ->{0.0025} "[T^ x4_0a x4_0b]{Tx4_0o^*}" + "" + "" | +"[T^ x4_0a x4_0b]{Tx4_0o^*}" + "" <->{0.0025}{0.0025} "{T^*}[x4_0a x4_0b Tx4_0o^]" + "" | +"{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0025} "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" + "" | +"[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0025} "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" + "" + "" | +"{Ta8^*}[a8a]:[a8b Ta10^]" + "" ->{0.0025} "[Ta8^ a8a a8b]{Ta10^*}" + "" + "" | +"{T^*}[x2_1a]:[x2_1b Ta6^]" + "" ->{0.0025} "[T^ x2_1a x2_1b]{Ta6^*}" + "" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0025} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0025} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" + "" + "" | +"{Ta7^*}[a7a]:[a7b Ta10^]" + "" ->{0.0025} "[Ta7^ a7a a7b]{Ta10^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta6^]" + "" ->{0.0025} "[T^ x1_1a x1_1b]{Ta6^*}" + "" + "" | +"{T.17^*}[x4_1a.15]:[x4_1b.16 Tx4_1o^]" + "" ->{0.0025} "[T.17^ x4_1a.15 x4_1b.16]{Tx4_1o^*}" + "" + "" | +"[T.17^ x4_1a.15 x4_1b.16]{Tx4_1o^*}" + "" <->{0.0025}{0.0025} "{T.17^*}[x4_1a.15 x4_1b.16 Tx4_1o^]" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" + "" ->{0.0025} "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" + "" + "" | +"{T.17^*}[x3_0a.9]:[x3_0b.10 Ta3^]" + "" ->{0.0025} "[T.17^ x3_0a.9 x3_0b.10]{Ta3^*}" + "" + "" | +"{T.17^*}[x2_1a.7]:[x2_1b.8 Ta1^]" + "" ->{0.0025} "[T.17^ x2_1a.7 x2_1b.8]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Ta5^*}[a5a]:[a5b Tlsb_1^]" + "" ->{0.0025} "[Ta5^ a5a a5b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0025} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{T.17^*}[x1_0a.1]:[x1_0b.2 T.17^]:[x2_0a.5]:[x2_0b.6 Ta2^]" + "" ->{0.0025} "[T.17^ x1_0a.1 x1_0b.2]{T.17^*}:[x2_0a.5]:[x2_0b.6 Ta2^]" + "" + "" | +"[T.17^ x1_0a.1 x1_0b.2]{T.17^*}:[x2_0a.5]:[x2_0b.6 Ta2^]" + "" ->{0.0025} "[T.17^ x1_0a.1 x1_0b.2]:[T.17^ x2_0a.5 x2_0b.6]{Ta2^*}" + "" + "" | +"{T.17^*}[x1_1a.3]:[x1_1b.4 Ta1^]" + "" ->{0.0025} "[T.17^ x1_1a.3 x1_1b.4]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{T.34^*}[x4_1a.32]:[x4_1b.33 Tmsb_1^]" + "" ->{0.0025} "[T.34^ x4_1a.32 x4_1b.33]{Tmsb_1^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0025} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T.34^*}[x3_0a.26]:[x3_0b.27 T.34^]:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" + "" ->{0.0025} "[T.34^ x3_0a.26 x3_0b.27]{T.34^*}:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" + "" + "" | +"[T.34^ x3_0a.26 x3_0b.27]{T.34^*}:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" + "" ->{0.0025} "[T.34^ x3_0a.26 x3_0b.27]:[T.34^ x4_0a.30 x4_0b.31]{Tmsb_0^*}" + "" + "" | +"{Tmsb_0^*}[MSB_0a MSB_0b]" + "" ->{0.0025} "[Tmsb_0^ MSB_0a MSB_0b]" + "" | +"{T.34^*}[x3_1a.28]:[x3_1b.29 Tmsb_1^]" + "" ->{0.0025} "[T.34^ x3_1a.28 x3_1b.29]{Tmsb_1^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0025} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob T.17^]:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0025} "[Tx4_1o^ x4_1oa x4_1ob]{T.17^*}:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]{T.17^*}:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0025} "[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" ->{0.0025} "[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]:[Ta2^ a2a a2b]{Ta4^*}" + "" + "" | +"{Ta4^*}[a4a]:[a4b Tlsb_1^]" + "" ->{0.0025} "[Ta4^ a4a a4b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0025} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" + "" ->{0.0025} "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Tlsb_0^*}[LSB_0a LSB_0b]" + "" ->{0.0025} "[Tlsb_0^ LSB_0a LSB_0b]" + "" | +"{T^*}[x3_0a]:[x3_0b Ta9^]" + "" ->{0.0025} "[T^ x3_0a x3_0b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0025} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0025} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized).dna b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized).dna new file mode 100644 index 0000000..81ddceb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT (Localized).dna @@ -0,0 +1,168 @@ +(*------------------------------------------------------------------------------------ +Circuit : 4 bit square root in dual rail logic +Description : Crosstalk between logical blocks MSB, LSB0, LSB1 is prevented + through private DNA domains. +Notes : Use Compilation: Infinite; Set lower copies for simulation +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 15 (* Input number *) +def Copies = 1000 (* Number of copies of the circuit *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = 1.0 +def x2 = 1.0 +def x3 = 1.0 +def x4 = 1.0 + +def MSB(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b + +new T@ untetheredbind, untetheredunbind +new Tmsb_0@ tetheredbind, tetheredunbind +new Tmsb_1@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_1oa new x4_1ob +new a1a new a1b new a2a new a2b +new a3a new a3b new a4a new a4b +new a5a new a5b +new T@ untetheredbind, untetheredunbind +new Tx4_1o@ tetheredbind, tetheredunbind +new Ta1@ tetheredbind, tetheredunbind +new Ta2@ tetheredbind, tetheredunbind +new Ta3@ tetheredbind, tetheredunbind +new Ta4@ tetheredbind, tetheredunbind +new Ta5@ tetheredbind, tetheredunbind +new Tlsb_1@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_0oa new x4_0ob +new a6a new a6b new a7a new a7b +new a8a new a8b new a9a new a9b +new a10a new a10b +new T@ untetheredbind, untetheredunbind +new Tx4_0o@ tetheredbind, tetheredunbind +new Ta6@ tetheredbind, tetheredunbind +new Ta7@ tetheredbind, tetheredunbind +new Ta8@ tetheredbind, tetheredunbind +new Ta9@ tetheredbind, tetheredunbind +new Ta10@ tetheredbind, tetheredunbind +new Tlsb_0@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT.crn new file mode 100644 index 0000000..1c13319 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT.crn @@ -0,0 +1,215 @@ +directive sample 0.0,36000.0 2000 +directive plot ""; ""; ""; "" + +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" 20.0 | +init "{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" 20.0 | +init "{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" 20.0 | +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta2^]" 20.0 | +init "{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" 20.0 | +init "{T^*}[x3_0a]:[x3_0b T^]:[x4_0a]:[x4_0b Tmsb_0^]" 20.0 | +init "{T^*}[x4_0a]:[x4_0b Tx4_0o^]:[Fa]:[Fb Tx4_0o^]" 20.0 | +init "" 20.0 | +init "{T^*}[x4_1a]:[x4_1b Tx4_1o^]:[Fa]:[Fb Tx4_1o^]" 20.0 | +init "" 20.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x2_1a]:[x2_1b Ta6^]" 20.0 | +init "{T^*}[x1_1a]:[x1_1b Ta6^]" 20.0 | +init "{Ta8^*}[a8a]:[a8b Ta10^]" 20.0 | +init "{Ta7^*}[a7a]:[a7b Ta10^]" 20.0 | +init "{T^*}[x2_1a]:[x2_1b Ta1^]" 20.0 | +init "{T^*}[x1_1a]:[x1_1b Ta1^]" 20.0 | +init "{T^*}[x3_0a]:[x3_0b Ta3^]" 20.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" 20.0 | +init "{Ta5^*}[a5a]:[a5b Tlsb_1^]" 20.0 | +init "{Ta4^*}[a4a]:[a4b Tlsb_1^]" 20.0 | +init "{T^*}[x4_1a]:[x4_1b Tmsb_1^]" 20.0 | +init "{T^*}[x3_1a]:[x3_1b Tmsb_1^]" 20.0 | +init "{Tlsb_0^*}[LSB_0a LSB_0b]" 20.0 | +init "{Tlsb_1^*}[LSB_1a LSB_1b]" 20.0 | +init "{Tmsb_0^*}[MSB_0a MSB_0b]" 20.0 | +init "{Tmsb_1^*}[MSB_1a MSB_1b]" 20.0 | +init "" 0.0 | +init "[T^ x4_0a x4_0b]{Tx4_0o^*}:[Fa]:[Fb Tx4_0o^]" 0.0 | +init "[T^ x4_0a x4_0b]:[Tx4_0o^ Fa Fb]{Tx4_0o^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 20.0 | +init "[T^ x4_1a x4_1b]{Tx4_1o^*}:[Fa]:[Fb Tx4_1o^]" 0.0 | +init "[T^ x4_1a x4_1b]:[Tx4_1o^ Fa Fb]{Tx4_1o^*}" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" 0.0 | +init "[T^ x4_1a x4_1b]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" 0.0 | +init "[T^ x3_0a x3_0b]:[T^ x4_0a x4_0b]{Tmsb_0^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_0^ MSB_0a MSB_0b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_0a x3_0b]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 20.0 | +init "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" 0.0 | +init "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta8^ a8a a8b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_1a x3_1b]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 20.0 | +init "" 0.0 | +init "[T^ x2_1a x2_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x2_1a x2_1b]{Ta1^*}" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta5^ a5a a5b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 20.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta7^ a7a a7b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta2^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_1a x1_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_1a x1_1b]{Ta1^*}" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 20.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta4^ a4a a4b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" 0.0 | +init "{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" 20.0 | +init "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_0^ LSB_0a LSB_0b]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" 0.0 | +init "{T^*}[x3_0a]:[x3_0b Ta9^]" 20.0 | +init "[T^ x3_0a x3_0b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "{Ta6^*}[a6a]:[a6b Ta9^]" 20.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +"{T^*}[x4_0a]:[x4_0b Tx4_0o^]:[Fa]:[Fb Tx4_0o^]" + "" ->{0.0003} "[T^ x4_0a x4_0b]{Tx4_0o^*}:[Fa]:[Fb Tx4_0o^]" + "" + "" | +"[T^ x4_0a x4_0b]{Tx4_0o^*}:[Fa]:[Fb Tx4_0o^]" + "" ->{0.0003} "[T^ x4_0a x4_0b]:[Tx4_0o^ Fa Fb]{Tx4_0o^*}" + "" + "" | +"{T^*}[x4_1a]:[x4_1b Tx4_1o^]:[Fa]:[Fb Tx4_1o^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]{Tx4_1o^*}:[Fa]:[Fb Tx4_1o^]" + "" + "" | +"{T^*}[x4_1a]:[x4_1b Tmsb_1^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]{Tmsb_1^*}" + "" + "" | +"[T^ x4_1a x4_1b]{Tx4_1o^*}:[Fa]:[Fb Tx4_1o^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]:[Tx4_1o^ Fa Fb]{Tx4_1o^*}" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0003} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T^*}[x3_0a]:[x3_0b T^]:[x4_0a]:[x4_0b Tmsb_0^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" + "" + "" | +"{T^*}[x3_0a]:[x3_0b Ta3^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{Ta3^*}" + "" + "" | +"[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]:[T^ x4_0a x4_0b]{Tmsb_0^*}" + "" + "" | +"{Tmsb_0^*}[MSB_0a MSB_0b]" + "" ->{0.0003} "[Tmsb_0^ MSB_0a MSB_0b]" + "" | +"{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" + "" | +"{T^*}[x3_1a]:[x3_1b Tmsb_1^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]{Tmsb_1^*}" + "" + "" | +"[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" + "" + "" | +"[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" + "" + "" | +"{Ta8^*}[a8a]:[a8b Ta10^]" + "" ->{0.0003} "[Ta8^ a8a a8b]{Ta10^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0003} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T^*}[x2_1a]:[x2_1b Ta6^]" + "" ->{0.0003} "[T^ x2_1a x2_1b]{Ta6^*}" + "" + "" | +"{T^*}[x2_1a]:[x2_1b Ta1^]" + "" ->{0.0003} "[T^ x2_1a x2_1b]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Ta5^*}[a5a]:[a5b Tlsb_1^]" + "" ->{0.0003} "[Ta5^ a5a a5b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0003} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta2^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" + "" + "" | +"{Ta7^*}[a7a]:[a7b Ta10^]" + "" ->{0.0003} "[Ta7^ a7a a7b]{Ta10^*}" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta2^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta6^]" + "" ->{0.0003} "[T^ x1_1a x1_1b]{Ta6^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta1^]" + "" ->{0.0003} "[T^ x1_1a x1_1b]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" + "" + "" | +"{Ta4^*}[a4a]:[a4b Tlsb_1^]" + "" ->{0.0003} "[Ta4^ a4a a4b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0003} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" + "" + "" | +"{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" + "" ->{0.0003} "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" + "" + "" | +"{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" + "" ->{0.0003} "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Tlsb_0^*}[LSB_0a LSB_0b]" + "" ->{0.0003} "[Tlsb_0^ LSB_0a LSB_0b]" + "" | +"{T^*}[x3_0a]:[x3_0b Ta9^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0003} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0003} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT.dna new file mode 100644 index 0000000..8dbe2b3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/SQRT.dna @@ -0,0 +1,122 @@ +(*------------------------------------------------------------------------------------ +Circuit : 4 bit square root in dual rail logic +Description : No private domains are used. Modified FANOUT2 gate is used. +Notes : Use Compilation: Infinite; Set lower copies for simulation +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 12 (* Input number *) +def Copies = 20 (* Number of copies of the circuit *) +def ON = 20 (* Input concentration *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = 0.0 +def x2 = 0.0 +def x3 = 1.0 +def x4 = 1.0 + +def MSB(N) = +( N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +( N * FANOUT2(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +( N * FANOUT2(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def Input() = +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | + Input() + | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Square Root.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Square Root.crn new file mode 100644 index 0000000..91b5a8d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Square Root.crn @@ -0,0 +1,150 @@ +directive sample 0.0,5000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ c0 = 50.0 + ; c = 50.0 ] +directive sweep sweep_1 = + { c = [50.0, 500.0, 5000.0, 50000.0] } + +init "{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" 1.0 | +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b T^]" 1.0 | +init "" 1.0 | +init "{T^*}[x4_1a]:[x4_1b T^]" 2.0 | +init "{T^*}[x4_1a x4_1b T^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[a5a]:[a5b T^]" 1.0 | +init "{T^*}[a4a]:[a4b T^]" 1.0 | +init "{T^*}[x3_0a]:[x3_0b T^]" 1.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]" 1.0 | +init "[T^ x4_1oa x4_1ob]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ a5a a5b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x2_1a]:[x2_1b T^]" 1.0 | +init "{T^*}[x1_1a]:[x1_1b T^]" 1.0 | +init "{T^*}[LSB_1a LSB_1b]" 1.0 | +init "[T^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init constant "" (c0 / c) | +init constant "" 0.0 | +init "[T^ x4_1a x4_1b]{T^*}" 0.0 | +init constant "" (c0 / c) | +init "[T^ x3_0a x3_0b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" 0.0 | +init constant "" 0.0 | +init constant "" (c0 / c) | +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a x2_0b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init constant "" 0.0 | +init "[T^ x2_1a x2_1b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" 0.0 | +init "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" 0.0 | +init "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init constant "" (c0 / c) | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b T^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init constant "" 0.0 | +init "[T^ x1_1a x1_1b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" 0.0 | +init "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" 0.0 | +init "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" 1.0 | +init "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" 0.0 | +init "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" 0.0 | +init "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ a4a a4b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" 0.0 | +init "" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" 0.0 | +"{T^*}[x4_1a]:[x4_1b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1a x4_1b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" + "" ->{(1E-09 * c)} "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" + "" | +"{T^*}[a5a]:[a5b T^]" + "" ->{(c * 5E-05)} "[T^ a5a a5b]{T^*}" + "" + "" | +"{T^*}[LSB_1a LSB_1b]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ LSB_1a LSB_1b]" + "" | +"{T^*}[x4_1a]:[x4_1b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1a x4_1b]{T^*}" + "" + "" | +"{T^*}[x4_1a x4_1b T^]" + "" <->{(c * 5E-05)}{(c * 5E-05)} "[T^ x4_1a x4_1b]{T^*}" + "" | +"{T^*}[x3_0a]:[x3_0b T^]" + "" ->{(c * 5E-05)} "[T^ x3_0a x3_0b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" + "" ->{(1E-09 * c)} "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b T^]" + "" ->{(1E-09 * c)} "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a x2_0b]{T^*}" + "" + "" | +"{T^*}[x2_1a]:[x2_1b T^]" + "" ->{(c * 5E-05)} "[T^ x2_1a x2_1b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b T^]" + "" ->{(c * 5E-05)} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b T^]" + "" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a x2_0b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{T^*}" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b T^]" + "" ->{(c * 5E-05)} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{T^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b T^]" + "" ->{(c * 5E-05)} "[T^ x1_1a x1_1b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" | +"[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" | +"[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" | +"[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[a4a]:[a4b T^]" + "" ->{(c * 5E-05)} "[T^ a4a a4b]{T^*}" + "" + "" | +"[T^ LSB_1a LSB_1b]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ LSB_1a LSB_1b]" + "" | +"{T^*}[LSB_1a LSB_1b]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ LSB_1a LSB_1b]" + "" | +"[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Square Root.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Square Root.dna new file mode 100644 index 0000000..6b4bdda --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Square Root.dna @@ -0,0 +1,159 @@ +directive duration 5000.0 points 1000 +directive simulation cme +directive compilation infinite +directive declare + +directive polymers +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(* Defining speedup factor *) +directive parameters [c0 = 50.0;c = 50.0] +directive sweep c = [50.0, 500.0, 5000.0, 50000.0] (*, 500000.0, 5000000.0] *) + +(* Input number *) +def num = 0 + +(* Binary Conversion *) +def x1 = 0.0 +def x2 = 0.0 +def x3 = 0.0 +def x4 = 0.0 + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def untetheredbind = c * bind +def untetheredunbind = unbind +def tetheredbind = c * bind +def tetheredunbind = unbind + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = + +def CIN = c0 / c +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = ( + constant CIN * (1.0-(x)) * STRAND(T, x_0a, x_0b) +| constant CIN * (x) * STRAND(T, x_1a, x_1b)) + +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] ) + +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] +| {Ti3^*}[Input3a]:[Input3b To^] ) + +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] + +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] + +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = ({Ti^*}[Inputa]:[Inputb To^] ) + +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = ((Degree-1) * +| Degree * {Ti^*}[Inputa]:[Inputb To^]) + +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +def MSB1() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_1a new MSB_1b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, T, MSB_1a, MSB_1b) +| REPORTER(T, MSB_1a, MSB_1b) +) + +def MSB0() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_0a new MSB_0b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, T, MSB_0a, MSB_0b) +| REPORTER(T, MSB_0a, MSB_0b) +) + +def MSB() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_0a new MSB_0b new MSB_1a new MSB_1b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, T, MSB_0a, MSB_0b) +| REPORTER(T, MSB_0a, MSB_0b) +| OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, T, MSB_1a, MSB_1b) +| REPORTER(T, MSB_1a, MSB_1b) +) + +def LSB1() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_1oa new x4_1ob new LSB_1a new LSB_1b +new a1a new a1b new a2a new a2b +new a3a new a3b new a4a new a4b +new a5a new a5b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| FANOUT(T, x4_1a, x4_1b, T, x4_1oa, x4_1ob, 2) +| OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, T, a1a, a1b) +| AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, T, a2a, a2b) +| OR (T, x4_1oa, x4_1ob, T, x3_0a, x3_0b, T, a3a, a3b) +| THREEINPUTAND(T, x4_1oa, x4_1ob, T, x3_1a, x3_1b, T, a2a, a2b, T, a4a, a4b) +| AND(T, a1a, a1b, T, a3a, a3b, T, a5a, a5b) +| OR(T, a4a, a4b, T, a5a, a5b, T, LSB_1a, LSB_1b) +| REPORTER(T, LSB_1a, LSB_1b) +) + +def LSB0() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_0oa new x4_0ob new LSB_0a new LSB_0b +new a6a new a6b new a7a new a7b +new a8a new a8b new a9a new a9b +new a10a new a10b +new T@ untetheredbind, untetheredunbind + +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| FANOUT(T, x4_0a, x4_0b, T, x4_0oa, x4_0ob, 2) +| OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, T, a6a, a6b) +| AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, T, a7a, a7b) +| AND (T, x3_1a, x3_1b, T, x4_0oa, x4_0ob, T, a8a, a8b) +| THREEINPUTOR(T, a6a, a6b, T, x3_0a, x3_0b, T, x4_0oa, x4_0ob, T, a9a, a9b) +| OR(T, a7a, a7b, T, a8a, a8b, T, a10a, a10b) +| AND(T, a9a, a9b, T, a10a, a10b, T, LSB_0a, LSB_0b) +| REPORTER(T, LSB_0a, LSB_0b) +) + +def SQUAREROOT() = ( LSB0() | LSB1() | MSB() ) + +LSB1() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer Composition.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer Composition.crn new file mode 100644 index 0000000..878eeed --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer Composition.crn @@ -0,0 +1,33 @@ +directive sample 0.0,5000.0 1000 +directive plot ""; "
"; "" +directive scale 1000.0 + +init "" 1.0 | +init "{tx^*}[x ta^]:[a ty^]" 10.0 | +init "[tx^ x]:[ta^]:[a ty^]" 0.0 | +init "[tx^ x]{ta^*}:[a ty^]" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "[tx^ x]:[ta^ a ty^]" 0.0 | +init "" 0.0 | +init "[x]{ta^*}" 10.0 | +init "[x ta^]" 0.0 | +init "" 0.0 | +init "{ty^*}[y ta.2^]:[a.1 tz^]" 10.0 | +init "[ty^ y]:[ta.2^]:[a.1 tz^]" 0.0 | +init "[ty^ y]{ta.2^*}:[a.1 tz^]" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "[ty^ y]:[ta.2^ a.1 tz^]" 0.0 | +init "" 0.0 | +init "[y]{ta.2^*}" 10.0 | +init "[y ta.2^]" 0.0 | +init "" 0.0 | +"{tx^*}[x ta^]:[a ty^]" + "" <->{0.0003}{0.1126} "[tx^ x]:[ta^]:[a ty^]" | +"[tx^ x]:[ta^]:[a ty^]" <->{0.1126}{0.0003} "[tx^ x]{ta^*}:[a ty^]" + "" | +"[tx^ x]{ta^*}:[a ty^]" + "" ->{0.0003} "[tx^ x]:[ta^ a ty^]" + "" | +"[x]{ta^*}" + "" ->{0.0003} "[x ta^]" + "" | +"{ty^*}[y ta.2^]:[a.1 tz^]" + "" <->{0.0003}{0.1126} "[ty^ y]:[ta.2^]:[a.1 tz^]" | +"[ty^ y]:[ta.2^]:[a.1 tz^]" <->{0.1126}{0.0003} "[ty^ y]{ta.2^*}:[a.1 tz^]" + "" | +"[ty^ y]{ta.2^*}:[a.1 tz^]" + "" ->{0.0003} "[ty^ y]:[ta.2^ a.1 tz^]" + "" | +"[y]{ta.2^*}" + "" ->{0.0003} "[y ta.2^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer Composition.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer Composition.dna new file mode 100644 index 0000000..6562bd7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer Composition.dna @@ -0,0 +1,20 @@ +directive duration 5000.0 points 1000 +directive plot <_ tx^ x>; <_ ty^ y>; <_ tz^ z> +directive scale 1000.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind + +def Tr(N, tx,x, ty,y) = +new a new ta@bind,unbind +( N * {tx^*}:[x ta^]:[a ty^] +| N * +| N * [x]:{ta^*} +) + +( Tr(10, tx,x, ty,y) +| Tr(10, ty,y, tz,z) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer.crn new file mode 100644 index 0000000..d1bd8eb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer.crn @@ -0,0 +1,19 @@ +directive sample 0.0,5000.0 1000 +directive plot ""; "" +directive scale 1000.0 + +init "" 1.0 | +init "{tx^*}[x ta^]:[a ty^]" 10.0 | +init "[tx^ x]:[ta^]:[a ty^]" 0.0 | +init "[tx^ x]{ta^*}:[a ty^]" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "[tx^ x]:[ta^ a ty^]" 0.0 | +init "" 0.0 | +init "[x]{ta^*}" 10.0 | +init "[x ta^]" 0.0 | +init "" 0.0 | +"{tx^*}[x ta^]:[a ty^]" + "" <->{0.0003}{0.1126} "[tx^ x]:[ta^]:[a ty^]" | +"[tx^ x]:[ta^]:[a ty^]" <->{0.1126}{0.0003} "[tx^ x]{ta^*}:[a ty^]" + "" | +"[tx^ x]{ta^*}:[a ty^]" + "" ->{0.0003} "[tx^ x]:[ta^ a ty^]" + "" | +"[x]{ta^*}" + "" ->{0.0003} "[x ta^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer.dna new file mode 100644 index 0000000..8cde4b4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Transducer.dna @@ -0,0 +1,17 @@ +directive duration 5000.0 points 1000 +directive plot <_ tx^ x>; <_ ty^ y> +directive scale 1000.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new tx@bind,unbind +new ty@bind,unbind + +def Tr(N, tx,x, ty,y) = + new a new ta@bind,unbind + ( N * {tx^*}:[x ta^]:[a ty^] + | N * + | N * [x]:{ta^*} ) + +( Tr(10,tx,x,ty,y) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Fork_Join.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Fork_Join.crn new file mode 100644 index 0000000..d63aa67 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Fork_Join.crn @@ -0,0 +1,161 @@ +directive sample 0.0,300.0 1000 +directive plot ""; ""; ""; "" + +init "" 1.0 | +init "" 1.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[x t^]:[a t^]:[a]" 10.0 | +init "[t^ x]{t^*}:[a t^]:[a]" 0.0 | +init "[t^ x]:[t^ a]{t^*}:[a]" 0.0 | +init "[t^ x]:[t^ a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]:[t^ z]:[t^ y]:[t^ a]{t^*}" 10.0 | +init "[x]:[t^ z]:[t^ y]{t^*}:[a t^]" 0.0 | +init "[x]:[t^ z]{t^*}:[y t^]:[a t^]" 0.0 | +init "[x]{t^*}:[z t^]:[y t^]:[a t^]" 0.0 | +init "[x t^]:[z t^]:[y t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[u t^]:[a.1 t^]:[a.1]" 10.0 | +init "[t^ u]{t^*}:[a.1 t^]:[a.1]" 0.0 | +init "[t^ u]:[t^ a.1]{t^*}:[a.1]" 0.0 | +init "[t^ u]:[t^ a.1]:[t^ a.1]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[u]:[t^ w]:[t^ v]:[t^ a.1]{t^*}" 10.0 | +init "[u]:[t^ w]:[t^ v]{t^*}:[a.1 t^]" 0.0 | +init "[u]:[t^ w]{t^*}:[v t^]:[a.1 t^]" 0.0 | +init "[u]{t^*}:[w t^]:[v t^]:[a.1 t^]" 0.0 | +init "[u t^]:[w t^]:[v t^]:[a.1 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[y t^]:[v t^]:[a.2 t^]:[a.2]" 10.0 | +init "[t^ y]{t^*}:[v t^]:[a.2 t^]:[a.2]" 0.0 | +init "[t^ y]:[t^ v]{t^*}:[a.2 t^]:[a.2]" 0.0 | +init "[t^ y]:[t^ v]:[t^ a.2]{t^*}:[a.2]" 0.0 | +init "[t^ y]:[t^ v]:[t^ a.2]:[t^ a.2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[y]:[t^ b]:[t^ yv]:[t^ a.2]{t^*}" 10.0 | +init "[y]:[t^ b]:[t^ yv]{t^*}:[a.2 t^]" 0.0 | +init "[y]:[t^ b]{t^*}:[yv t^]:[a.2 t^]" 0.0 | +init "[y]{t^*}:[b t^]:[yv t^]:[a.2 t^]" 0.0 | +init "[y t^]:[b t^]:[yv t^]:[a.2 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b v]{t^*}" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[y t^]:[w t^]:[a.3 t^]:[a.3]" 10.0 | +init "[t^ y]{t^*}:[w t^]:[a.3 t^]:[a.3]" 0.0 | +init "[t^ y]:[t^ w]{t^*}:[a.3 t^]:[a.3]" 0.0 | +init "[t^ y]:[t^ w]:[t^ a.3]{t^*}:[a.3]" 0.0 | +init "[t^ y]:[t^ w]:[t^ a.3]:[t^ a.3]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[y]:[t^ b.4]:[t^ yw]:[t^ a.3]{t^*}" 10.0 | +init "[y]:[t^ b.4]:[t^ yw]{t^*}:[a.3 t^]" 0.0 | +init "[y]:[t^ b.4]{t^*}:[yw t^]:[a.3 t^]" 0.0 | +init "[y]{t^*}:[b.4 t^]:[yw t^]:[a.3 t^]" 0.0 | +init "[y t^]:[b.4 t^]:[yw t^]:[a.3 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b.4 w]{t^*}" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[z t^]:[v t^]:[a.5 t^]:[a.5]" 10.0 | +init "[t^ z]{t^*}:[v t^]:[a.5 t^]:[a.5]" 0.0 | +init "[t^ z]:[t^ v]{t^*}:[a.5 t^]:[a.5]" 0.0 | +init "[t^ z]:[t^ v]:[t^ a.5]{t^*}:[a.5]" 0.0 | +init "[t^ z]:[t^ v]:[t^ a.5]:[t^ a.5]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[z]:[t^ b.6]:[t^ zv]:[t^ a.5]{t^*}" 10.0 | +init "[z]:[t^ b.6]:[t^ zv]{t^*}:[a.5 t^]" 0.0 | +init "[z]:[t^ b.6]{t^*}:[zv t^]:[a.5 t^]" 0.0 | +init "[z]{t^*}:[b.6 t^]:[zv t^]:[a.5 t^]" 0.0 | +init "[z t^]:[b.6 t^]:[zv t^]:[a.5 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b.6 v]{t^*}" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[z t^]:[w t^]:[a.7 t^]:[a.7]" 10.0 | +init "[t^ z]{t^*}:[w t^]:[a.7 t^]:[a.7]" 0.0 | +init "[t^ z]:[t^ w]{t^*}:[a.7 t^]:[a.7]" 0.0 | +init "[t^ z]:[t^ w]:[t^ a.7]{t^*}:[a.7]" 0.0 | +init "[t^ z]:[t^ w]:[t^ a.7]:[t^ a.7]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[z]:[t^ b.8]:[t^ zw]:[t^ a.7]{t^*}" 10.0 | +init "[z]:[t^ b.8]:[t^ zw]{t^*}:[a.7 t^]" 0.0 | +init "[z]:[t^ b.8]{t^*}:[zw t^]:[a.7 t^]" 0.0 | +init "[z]{t^*}:[b.8 t^]:[zw t^]:[a.7 t^]" 0.0 | +init "[z t^]:[b.8 t^]:[zw t^]:[a.7 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b.8 w]{t^*}" 10.0 | +"[t^ x]:[t^ a]{t^*}:[a]" + "" ->{1.0} "[t^ x]:[t^ a]:[t^ a]" + "" | +"[t^ x]{t^*}:[a t^]:[a]" + "" <->{1.0}{1.0} "[t^ x]:[t^ a]{t^*}:[a]" + "" | +"{t^*}[x t^]:[a t^]:[a]" + "" <->{1.0}{1.0} "[t^ x]{t^*}:[a t^]:[a]" + "" | +"[x]:[t^ z]:[t^ y]:[t^ a]{t^*}" + "" <->{1.0}{1.0} "[x]:[t^ z]:[t^ y]{t^*}:[a t^]" + "" | +"[x]{t^*}:[z t^]:[y t^]:[a t^]" + "" ->{1.0} "[x t^]:[z t^]:[y t^]:[a t^]" + "" | +"[x]:[t^ z]{t^*}:[y t^]:[a t^]" + "" <->{1.0}{1.0} "[x]{t^*}:[z t^]:[y t^]:[a t^]" + "" | +"[x]:[t^ z]:[t^ y]{t^*}:[a t^]" + "" <->{1.0}{1.0} "[x]:[t^ z]{t^*}:[y t^]:[a t^]" + "" | +"[t^ u]:[t^ a.1]{t^*}:[a.1]" + "" ->{1.0} "[t^ u]:[t^ a.1]:[t^ a.1]" + "" | +"[t^ u]{t^*}:[a.1 t^]:[a.1]" + "" <->{1.0}{1.0} "[t^ u]:[t^ a.1]{t^*}:[a.1]" + "" | +"{t^*}[u t^]:[a.1 t^]:[a.1]" + "" <->{1.0}{1.0} "[t^ u]{t^*}:[a.1 t^]:[a.1]" + "" | +"[u]:[t^ w]:[t^ v]:[t^ a.1]{t^*}" + "" <->{1.0}{1.0} "[u]:[t^ w]:[t^ v]{t^*}:[a.1 t^]" + "" | +"[u]{t^*}:[w t^]:[v t^]:[a.1 t^]" + "" ->{1.0} "[u t^]:[w t^]:[v t^]:[a.1 t^]" + "" | +"[u]:[t^ w]{t^*}:[v t^]:[a.1 t^]" + "" <->{1.0}{1.0} "[u]{t^*}:[w t^]:[v t^]:[a.1 t^]" + "" | +"[u]:[t^ w]:[t^ v]{t^*}:[a.1 t^]" + "" <->{1.0}{1.0} "[u]:[t^ w]{t^*}:[v t^]:[a.1 t^]" + "" | +"{t^*}[y t^]:[v t^]:[a.2 t^]:[a.2]" + "" <->{1.0}{1.0} "[t^ y]{t^*}:[v t^]:[a.2 t^]:[a.2]" + "" | +"[t^ y]{t^*}:[v t^]:[a.2 t^]:[a.2]" + "" <->{1.0}{1.0} "[t^ y]:[t^ v]{t^*}:[a.2 t^]:[a.2]" + "" | +"[t^ y]:[t^ v]:[t^ a.2]{t^*}:[a.2]" + "" ->{1.0} "[t^ y]:[t^ v]:[t^ a.2]:[t^ a.2]" + "" | +"[t^ y]:[t^ v]{t^*}:[a.2 t^]:[a.2]" + "" <->{1.0}{1.0} "[t^ y]:[t^ v]:[t^ a.2]{t^*}:[a.2]" + "" | +"[y]:[t^ b]:[t^ yv]:[t^ a.2]{t^*}" + "" <->{1.0}{1.0} "[y]:[t^ b]:[t^ yv]{t^*}:[a.2 t^]" + "" | +"[y]{t^*}:[b t^]:[yv t^]:[a.2 t^]" + "" ->{1.0} "[y t^]:[b t^]:[yv t^]:[a.2 t^]" + "" | +"[y]:[t^ b]{t^*}:[yv t^]:[a.2 t^]" + "" <->{1.0}{1.0} "[y]{t^*}:[b t^]:[yv t^]:[a.2 t^]" + "" | +"[y]:[t^ b]:[t^ yv]{t^*}:[a.2 t^]" + "" <->{1.0}{1.0} "[y]:[t^ b]{t^*}:[yv t^]:[a.2 t^]" + "" | +"{t^*}[y t^]:[w t^]:[a.3 t^]:[a.3]" + "" <->{1.0}{1.0} "[t^ y]{t^*}:[w t^]:[a.3 t^]:[a.3]" + "" | +"[t^ y]{t^*}:[w t^]:[a.3 t^]:[a.3]" + "" <->{1.0}{1.0} "[t^ y]:[t^ w]{t^*}:[a.3 t^]:[a.3]" + "" | +"[t^ y]:[t^ w]:[t^ a.3]{t^*}:[a.3]" + "" ->{1.0} "[t^ y]:[t^ w]:[t^ a.3]:[t^ a.3]" + "" | +"[t^ y]:[t^ w]{t^*}:[a.3 t^]:[a.3]" + "" <->{1.0}{1.0} "[t^ y]:[t^ w]:[t^ a.3]{t^*}:[a.3]" + "" | +"[y]:[t^ b.4]:[t^ yw]:[t^ a.3]{t^*}" + "" <->{1.0}{1.0} "[y]:[t^ b.4]:[t^ yw]{t^*}:[a.3 t^]" + "" | +"[y]{t^*}:[b.4 t^]:[yw t^]:[a.3 t^]" + "" ->{1.0} "[y t^]:[b.4 t^]:[yw t^]:[a.3 t^]" + "" | +"[y]:[t^ b.4]{t^*}:[yw t^]:[a.3 t^]" + "" <->{1.0}{1.0} "[y]{t^*}:[b.4 t^]:[yw t^]:[a.3 t^]" + "" | +"[y]:[t^ b.4]:[t^ yw]{t^*}:[a.3 t^]" + "" <->{1.0}{1.0} "[y]:[t^ b.4]{t^*}:[yw t^]:[a.3 t^]" + "" | +"{t^*}[z t^]:[v t^]:[a.5 t^]:[a.5]" + "" <->{1.0}{1.0} "[t^ z]{t^*}:[v t^]:[a.5 t^]:[a.5]" + "" | +"[t^ z]{t^*}:[v t^]:[a.5 t^]:[a.5]" + "" <->{1.0}{1.0} "[t^ z]:[t^ v]{t^*}:[a.5 t^]:[a.5]" + "" | +"[t^ z]:[t^ v]:[t^ a.5]{t^*}:[a.5]" + "" ->{1.0} "[t^ z]:[t^ v]:[t^ a.5]:[t^ a.5]" + "" | +"[t^ z]:[t^ v]{t^*}:[a.5 t^]:[a.5]" + "" <->{1.0}{1.0} "[t^ z]:[t^ v]:[t^ a.5]{t^*}:[a.5]" + "" | +"[z]:[t^ b.6]:[t^ zv]:[t^ a.5]{t^*}" + "" <->{1.0}{1.0} "[z]:[t^ b.6]:[t^ zv]{t^*}:[a.5 t^]" + "" | +"[z]{t^*}:[b.6 t^]:[zv t^]:[a.5 t^]" + "" ->{1.0} "[z t^]:[b.6 t^]:[zv t^]:[a.5 t^]" + "" | +"[z]:[t^ b.6]{t^*}:[zv t^]:[a.5 t^]" + "" <->{1.0}{1.0} "[z]{t^*}:[b.6 t^]:[zv t^]:[a.5 t^]" + "" | +"[z]:[t^ b.6]:[t^ zv]{t^*}:[a.5 t^]" + "" <->{1.0}{1.0} "[z]:[t^ b.6]{t^*}:[zv t^]:[a.5 t^]" + "" | +"{t^*}[z t^]:[w t^]:[a.7 t^]:[a.7]" + "" <->{1.0}{1.0} "[t^ z]{t^*}:[w t^]:[a.7 t^]:[a.7]" + "" | +"[t^ z]{t^*}:[w t^]:[a.7 t^]:[a.7]" + "" <->{1.0}{1.0} "[t^ z]:[t^ w]{t^*}:[a.7 t^]:[a.7]" + "" | +"[t^ z]:[t^ w]:[t^ a.7]{t^*}:[a.7]" + "" ->{1.0} "[t^ z]:[t^ w]:[t^ a.7]:[t^ a.7]" + "" | +"[t^ z]:[t^ w]{t^*}:[a.7 t^]:[a.7]" + "" <->{1.0}{1.0} "[t^ z]:[t^ w]:[t^ a.7]{t^*}:[a.7]" + "" | +"[z]:[t^ b.8]:[t^ zw]:[t^ a.7]{t^*}" + "" <->{1.0}{1.0} "[z]:[t^ b.8]:[t^ zw]{t^*}:[a.7 t^]" + "" | +"[z]{t^*}:[b.8 t^]:[zw t^]:[a.7 t^]" + "" ->{1.0} "[z t^]:[b.8 t^]:[zw t^]:[a.7 t^]" + "" | +"[z]:[t^ b.8]{t^*}:[zw t^]:[a.7 t^]" + "" <->{1.0}{1.0} "[z]{t^*}:[b.8 t^]:[zw t^]:[a.7 t^]" + "" | +"[z]:[t^ b.8]:[t^ zw]{t^*}:[a.7 t^]" + "" <->{1.0}{1.0} "[z]:[t^ b.8]{t^*}:[zw t^]:[a.7 t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Fork_Join.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Fork_Join.dna new file mode 100644 index 0000000..ca66741 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Fork_Join.dna @@ -0,0 +1,20 @@ +(*Two domain fork/join from Fig 18 of Cardelli DCM2010*) +directive duration 300.0 points 1000 +directive compilation infinite +directive plot ; ; ; ; sum([t^ _]:[_ t^]) +new t@1.0,1.0 + +def F(N, x, y, z) = new a +( N * | N * | N * +| N * {t^*}:[x t^]:[a t^]:[a] +| N * [x]:[t^ z]:[t^ y]:[t^ a]:{t^*} ) + +def J(N, x, y, z) = new a new b +( N * | N * | N * +| N * {t^*}:[x t^]:[y t^]:[a t^]:[a] +| N * [x]:[t^ b]:[t^ z]:[t^ a]:{t^*} +| N * {t^*}:[b y]:{t^*} ) + +( F(10, x, y, z) | F(10, u, v, w) | J(10, y, v, yv) +| J(10, y, w, yw) | J(10, z, v, zv) | J(10, z, w, zw) +| 1 * | 1 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Transducer.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Transducer.crn new file mode 100644 index 0000000..915006b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Transducer.crn @@ -0,0 +1,25 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; "" + +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x t^]:[a t^]:[a]" 1.0 | +init "[t^ x]{t^*}:[a t^]:[a]" 0.0 | +init "[t^ x]:[t^ a]{t^*}:[a]" 0.0 | +init "[t^ x]:[t^ a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]:[t^ y]:[t^ a]{t^*}" 1.0 | +init "[x]:[t^ y]{t^*}:[a t^]" 0.0 | +init "[x]{t^*}:[y t^]:[a t^]" 0.0 | +init "[x t^]:[y t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[t^ x]:[t^ a]{t^*}:[a]" + "" ->{0.0003} "[t^ x]:[t^ a]:[t^ a]" + "" | +"[t^ x]{t^*}:[a t^]:[a]" + "" <->{0.0003}{0.0003} "[t^ x]:[t^ a]{t^*}:[a]" + "" | +"{t^*}[x t^]:[a t^]:[a]" + "" <->{0.0003}{0.0003} "[t^ x]{t^*}:[a t^]:[a]" + "" | +"[x]:[t^ y]:[t^ a]{t^*}" + "" <->{0.0003}{0.0003} "[x]:[t^ y]{t^*}:[a t^]" + "" | +"[x]{t^*}:[y t^]:[a t^]" + "" ->{0.0003} "[x t^]:[y t^]:[a t^]" + "" | +"[x]:[t^ y]{t^*}:[a t^]" + "" <->{0.0003}{0.0003} "[x]{t^*}:[y t^]:[a t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Transducer.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Transducer.dna new file mode 100644 index 0000000..0a9e393 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Two-Domain Transducer.dna @@ -0,0 +1,18 @@ +directive duration 10000.0 points 1000 +directive compilation infinite +directive plot ; ; +new t +def T(N,x,y) = + new a (* remove for interference *) + ( N * + | N * + | N * {t^*}:[x t^]:[a t^]:[a] (* Input gate *) + | N * [x]:[t^ y]:[t^ a]:{t^*} (* Output gate *) + ) +(* + ( | T(x,y) ) + ( 2 * | T(2,x,y) ) + ( 2 * | T(2,x,y) | T(2,y,z) ) + ( | T(1,x,y) | T(1,y,z) ) +*) +( | T(1,x,y) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Ultrasensitive.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Ultrasensitive.crn new file mode 100644 index 0000000..ebc5cec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Ultrasensitive.crn @@ -0,0 +1,201 @@ +directive sample 0.0,500000.0 1000 +directive plot sum(""); sum(""); sum("") + +init "" 1000.0 | +init "" 1000.0 | +init "" 10.0 | +init "{tB^*}[B tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" 10000.0 | +init "" 10000.0 | +init "[stim]{ta^*}" 10000.0 | +init "[B]{tstim^*}" 10000.0 | +init "" 10.0 | +init "[tB^ B]:[tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]{tstim^*}:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]:[ta^ a tl1^ b tstim^ c tB^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]:[ta^ a tl1^ b tstim^ c tB^]" 0.0 | +init "" 0.0 | +init "[stim ta^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B tstim^]" 0.0 | +init "" 0.0 | +init "{tB.10^*}[B.11 tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 10000.0 | +init "" 10000.0 | +init "[B.11]{tl1p^*}" 10000.0 | +init "[l1p]:[tl2^ d]:[td^ l2]{ta.6^*}" 10000.0 | +init "" 10000.0 | +init "{td^*}[l2]" 10000.0 | +init "{tl2^*}[d]" 10000.0 | +init "" 10.0 | +init "[tB.10^ B.11]:[tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]{tl1p^*}:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "" 0.0 | +init "[B.11 tl1p^]" 0.0 | +init "" 0.0 | +init "{tB.18^*}[B.19 tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 10000.0 | +init "" 10000.0 | +init "[B.19]{tl2p^*}" 10000.0 | +init "[l2p]:[tl3^ d.17]:[td.16^ l3]{ta.12^*}" 10000.0 | +init "" 10000.0 | +init "{td.16^*}[l3]" 10000.0 | +init "{tl3^*}[d.17]" 10000.0 | +init "" 10.0 | +init "[tB.18^ B.19]:[tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]{tl2p^*}:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "" 0.0 | +init "[B.19 tl2p^]" 0.0 | +init "" 0.0 | +init "{tB.4^*}[B.5 tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 10000.0 | +init "" 10000.0 | +init "[l1]{ta.1^*}" 10000.0 | +init "[B.5]{tl1^*}" 10000.0 | +init "" 10.0 | +init "[tB.4^ B.5]:[tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]{tl1^*}:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]:[ta.1^ a.2 tl1p^ b.3 tB.4^]" 0.0 | +init "" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]{tl2^*}:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^ a.7 tl1^ b.8 tl2p^ c.9 tB.10^]" 0.0 | +init "" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]:[ta.1^ a.2 tl1p^ b.3 tB.4^]" 0.0 | +init "" 0.0 | +init "[l1 ta.1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]{tl3^*}:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^ a.13 tl2^ b.14 tl3p^ c.15 tB.18^]" 0.0 | +init "" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^ a.7 tl1^ b.8 tl2p^ c.9 tB.10^]" 0.0 | +init "" 0.0 | +init "[l1p]:[tl2^ d]:[td^ l2]:[ta.6^]" 0.0 | +init "[l1p]:[tl2^ d]{td^*}:[l2 ta.6^]" 0.0 | +init "[l1p]:[tl2^ d]:[td^]:[l2 ta.6^]" 0.0 | +init "[l1p]{tl2^*}:[d td^]:[l2 ta.6^]" 0.0 | +init "" 0.0 | +init "[tl2^ d]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td^ l2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[l2p]:[tl3^ d.17]:[td.16^ l3]:[ta.12^]" 0.0 | +init "[l2p]:[tl3^ d.17]{td.16^*}:[l3 ta.12^]" 0.0 | +init "[l2p]:[tl3^ d.17]:[td.16^]:[l3 ta.12^]" 0.0 | +init "[l2p]{tl3^*}:[d.17 td.16^]:[l3 ta.12^]" 0.0 | +init "" 0.0 | +init "[tl3^ d.17]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td.16^ l3]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[l2p tl3^]:[d.17 td.16^]:[l3 ta.12^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[l1p tl2^]:[d td^]:[l2 ta.6^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B.5 tl1^]" 0.0 | +init "" 0.0 | +init "{tB.23^*}[B.24 tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" 10000.0 | +init "" 10000.0 | +init "[l3p]{ta.20^*}" 10000.0 | +init "[B.24]{tl3p^*}" 10000.0 | +init "" 1.0 | +init "[tB.23^ B.24]:[tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" 0.0 | +init "[tB.23^ B.24]{tl3p^*}:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" 0.0 | +init "[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" 0.0 | +init "[tB.23^ B.24]:[tl3p^ l3p]{ta.20^*}:[a.21 tl3^]:[b.22 tB.23^]" 0.0 | +init "[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^ a.21 tl3^ b.22 tB.23^]" 0.0 | +init "" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^ a.13 tl2^ b.14 tl3p^ c.15 tB.18^]" 0.0 | +init "" 0.0 | +init "[l3p ta.20^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B.24 tl3p^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" + "" <->{3E-05}{0.1126} "[tB^ B]:[tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" | +"[tB^ B]{tstim^*}:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" + "" <->{3E-05}{0.1126} "[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" | +"[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" + "" ->{3E-05} "[tB^ B]:[tstim^ stim]:[ta^ a tl1^ b tstim^ c tB^]" + "" + "" + "" | +"[tB^ B]{tstim^*}:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" + "" <->{3E-05}{0.1126} "[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" | +"[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" + "" ->{3E-05} "[tB^ B]:[tstim^ stim]:[ta^ a tl1^ b tstim^ c tB^]" + "" + "" + "" | +"[stim]{ta^*}" + "" ->{3E-05} "[stim ta^]" + "" | +"[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" <->{0.1126}{3E-05} "[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" + "" | +"[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" <->{0.1126}{3E-05} "[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" + "" | +"[B]{tstim^*}" + "" ->{3E-05} "[B tstim^]" + "" | +"[tB^ B]:[tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" <->{0.1126}{3E-05} "[tB^ B]{tstim^*}:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" + "" | +"{tB.10^*}[B.11 tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" <->{3E-05}{0.1126} "[tB.10^ B.11]:[tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" | +"[B.11]{tl1p^*}" + "" ->{3E-05} "[B.11 tl1p^]" + "" | +"[tB.10^ B.11]:[tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" <->{0.1126}{3E-05} "[tB.10^ B.11]{tl1p^*}:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" | +"{tB.18^*}[B.19 tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" <->{3E-05}{0.1126} "[tB.18^ B.19]:[tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" | +"[B.19]{tl2p^*}" + "" ->{3E-05} "[B.19 tl2p^]" + "" | +"[tB.18^ B.19]:[tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" <->{0.1126}{3E-05} "[tB.18^ B.19]{tl2p^*}:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" | +"{tB.4^*}[B.5 tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" + "" <->{3E-05}{0.1126} "[tB.4^ B.5]:[tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" | +"[tB.4^ B.5]{tl1^*}:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" + "" <->{3E-05}{0.1126} "[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" | +"[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" + "" ->{3E-05} "[tB.4^ B.5]:[tl1^ l1]:[ta.1^ a.2 tl1p^ b.3 tB.4^]" + "" + "" | +"[tB.10^ B.11]{tl1p^*}:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" <->{3E-05}{0.1126} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" | +"[tB.10^ B.11]:[tl1p^ l1p]{tl2^*}:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" <->{3E-05}{0.1126} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" ->{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^ a.7 tl1^ b.8 tl2p^ c.9 tB.10^]" + "" + "" + "" | +"[tB.4^ B.5]{tl1^*}:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" + "" <->{3E-05}{0.1126} "[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" | +"[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" + "" ->{3E-05} "[tB.4^ B.5]:[tl1^ l1]:[ta.1^ a.2 tl1p^ b.3 tB.4^]" + "" + "" | +"[l1]{ta.1^*}" + "" ->{3E-05} "[l1 ta.1^]" + "" | +"[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" <->{0.1126}{3E-05} "[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" + "" | +"[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" <->{0.1126}{3E-05} "[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" + "" | +"[tB.18^ B.19]{tl2p^*}:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" <->{3E-05}{0.1126} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" | +"[tB.18^ B.19]:[tl2p^ l2p]{tl3^*}:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" <->{3E-05}{0.1126} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" ->{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^ a.13 tl2^ b.14 tl3p^ c.15 tB.18^]" + "" + "" + "" | +"[tB.10^ B.11]:[tl1p^ l1p]{tl2^*}:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" <->{3E-05}{0.1126} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" ->{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^ a.7 tl1^ b.8 tl2p^ c.9 tB.10^]" + "" + "" + "" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" <->{0.1126}{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" <->{0.1126}{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" | +"[l1p]:[tl2^ d]:[td^ l2]{ta.6^*}" + "" <->{3E-05}{0.1126} "[l1p]:[tl2^ d]:[td^ l2]:[ta.6^]" | +"[l1p]:[tl2^ d]{td^*}:[l2 ta.6^]" + "" <->{3E-05}{0.1126} "[l1p]:[tl2^ d]:[td^]:[l2 ta.6^]" | +"{tl2^*}[d]" + "" ->{3E-05} "[tl2^ d]" + "" | +"[l1p]:[tl2^ d]:[td^]:[l2 ta.6^]" <->{0.1126}{3E-05} "[l1p]{tl2^*}:[d td^]:[l2 ta.6^]" + "" | +"{td^*}[l2]" + "" ->{3E-05} "[td^ l2]" + "" | +"[l1p]:[tl2^ d]:[td^ l2]:[ta.6^]" <->{0.1126}{3E-05} "[l1p]:[tl2^ d]{td^*}:[l2 ta.6^]" + "" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" <->{0.1126}{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" | +"[l2p]:[tl3^ d.17]:[td.16^ l3]{ta.12^*}" + "" <->{3E-05}{0.1126} "[l2p]:[tl3^ d.17]:[td.16^ l3]:[ta.12^]" | +"[l2p]:[tl3^ d.17]{td.16^*}:[l3 ta.12^]" + "" <->{3E-05}{0.1126} "[l2p]:[tl3^ d.17]:[td.16^]:[l3 ta.12^]" | +"{tl3^*}[d.17]" + "" ->{3E-05} "[tl3^ d.17]" + "" | +"[l2p]:[tl3^ d.17]:[td.16^]:[l3 ta.12^]" <->{0.1126}{3E-05} "[l2p]{tl3^*}:[d.17 td.16^]:[l3 ta.12^]" + "" | +"{td.16^*}[l3]" + "" ->{3E-05} "[td.16^ l3]" + "" | +"[l2p]:[tl3^ d.17]:[td.16^ l3]:[ta.12^]" <->{0.1126}{3E-05} "[l2p]:[tl3^ d.17]{td.16^*}:[l3 ta.12^]" + "" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" <->{0.1126}{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]{tl3^*}:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" | +"[l2p]{tl3^*}:[d.17 td.16^]:[l3 ta.12^]" + "" ->{3E-05} "[l2p tl3^]:[d.17 td.16^]:[l3 ta.12^]" + "" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" <->{0.1126}{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]{tl2^*}:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" | +"[l1p]{tl2^*}:[d td^]:[l2 ta.6^]" + "" ->{3E-05} "[l1p tl2^]:[d td^]:[l2 ta.6^]" + "" | +"[B.5]{tl1^*}" + "" ->{3E-05} "[B.5 tl1^]" + "" | +"[tB.4^ B.5]:[tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" <->{0.1126}{3E-05} "[tB.4^ B.5]{tl1^*}:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" + "" | +"{tB.23^*}[B.24 tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" + "" <->{3E-05}{0.1126} "[tB.23^ B.24]:[tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" | +"[tB.23^ B.24]{tl3p^*}:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" + "" <->{3E-05}{0.1126} "[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" | +"[tB.23^ B.24]:[tl3p^ l3p]{ta.20^*}:[a.21 tl3^]:[b.22 tB.23^]" + "" ->{3E-05} "[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^ a.21 tl3^ b.22 tB.23^]" + "" + "" | +"[tB.18^ B.19]:[tl2p^ l2p]{tl3^*}:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" <->{3E-05}{0.1126} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" ->{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^ a.13 tl2^ b.14 tl3p^ c.15 tB.18^]" + "" + "" + "" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" <->{0.1126}{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" | +"[l3p]{ta.20^*}" + "" ->{3E-05} "[l3p ta.20^]" + "" | +"[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" <->{0.1126}{3E-05} "[tB.23^ B.24]:[tl3p^ l3p]{ta.20^*}:[a.21 tl3^]:[b.22 tB.23^]" + "" | +"[B.24]{tl3p^*}" + "" ->{3E-05} "[B.24 tl3p^]" + "" | +"[tB.23^ B.24]:[tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" <->{0.1126}{3E-05} "[tB.23^ B.24]{tl3p^*}:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Ultrasensitive.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Ultrasensitive.dna new file mode 100644 index 0000000..73efa1e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Ultrasensitive.dna @@ -0,0 +1,50 @@ +directive duration 500000.0 points 1000 +directive plot sum(<_ tl1p^ l1p>); sum(<_ tl2p^ l2p>); sum(<_ tl3p^ l3p>) +def bind = 0.00003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 10000 +new tstim@bind,unbind +new tl1@bind,unbind new tl1p@bind,unbind +new tl2@bind,unbind new tl2p@bind,unbind +new tl3@bind,unbind new tl3p@bind,unbind + +def BTr(M,N, tx,x, ty,y) = +new ta@bind,unbind new a new b new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +def BF2(M,N, tx,x, ty,y, tz,z) = +new ta@bind,unbind new a new b new c new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * +) + +( BF2(Buff,10, tstim,stim, tl1,l1, tstim,stim) +| BTr(Buff,10, tl1,l1, tl1p,l1p) +| BJ2x2(Buff,10, tl1p,l1p, tl2,l2, tl1,l1, tl2p,l2p) +| BJ2x2(Buff,10, tl2p,l2p, tl3,l3, tl2,l2, tl3p,l3p) +| BTr(Buff,1, tl3p,l3p, tl3,l3) +| 1000 * +| 1000 * +| 10 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Zhang_Autocatalytic.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/Zhang_Autocatalytic.crn new file mode 100644 index 0000000..b3b9baa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Zhang_Autocatalytic.crn @@ -0,0 +1,40 @@ +directive sample 0.0,1000.0 100 +directive plot ""; ""; "" +directive scale 500.0 + +init "" 100.0 | +init "[S6 S3^]{S4a^* S4b^*}" 100.0 | +init "[S6 S3^]:[S4a^ S4b^]" 0.0 | +init "" 100.0 | +init "[S6 S3^]:[S4a^ S4b^]" 0.0 | +init "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" 100.0 | +init "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S4b^ S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" 0.0 | +init "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S4b^ S2b^ S2c S3^ S4a^ S4b^]{S2b^*}" 0.0 | +init "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" 0.0 | +init "" 0.0 | +init "[S6 S3^ S4a^ S4b^]" 0.0 | +init "" 0.0 | +init "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" 0.0 | +init "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" 0.0 | +"[S6 S3^]{S4a^* S4b^*}" + "" ->{0.0006} "[S6 S3^]:[S4a^ S4b^]" | +"[S6 S3^]{S4a^* S4b^*}" + "" ->{0.0006} "[S6 S3^]:[S4a^ S4b^]" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "" <->{0.0003}{0.1126} "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S4b^ S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "" ->{0.00042} "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" + "" | +"[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" <->{0.1126}{0.0003} "[S4b^ S2b^ S2c S3^ S4a^ S4b^]{S2b^*}" + "" | +"[S4b^ S2b^ S2c S3^ S4a^ S4b^]{S2b^*}" + "" <->{0.0003}{0.1126} "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" | +"[S4b^ S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "[S6 S3^]{S4a^* S4b^*}" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "" ->{0.00042} "[S6 S3^]:[S4a^ S4b^]" + "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" | +"[S6 S3^]{S4a^* S4b^*}" + "" ->{0.0006} "[S6 S3^ S4a^ S4b^]" + "" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" <->{0.04}{0.00042} "[S4b^ S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" + "[S6 S3^]{S4a^* S4b^*}" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "" <->{0.00042}{0.04} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "[S6 S3^]{S4a^* S4b^*}" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" <->{0.1126}{0.0003} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "" <->{0.0003}{0.1126} "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" <->{0.1126}{0.0003} "[S6 S3^]{S4a^* S4b^*}" + "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/Zhang_Autocatalytic.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/Zhang_Autocatalytic.dna new file mode 100644 index 0000000..c0165d0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/Zhang_Autocatalytic.dna @@ -0,0 +1,26 @@ +(* An auto-catalyzing circuit, with a fluorescing output, from Fig 4*) +directive duration 1000.0 points 100 +directive scale 500.0 +directive polymers +directive plot Fuel(); Autocatalyst(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} +dom S2b = { seq=TCTCCA} +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} +dom S6 = {seq=CCACATACATCATATT} + +def Fuel() = +def Autocatalyst() = +def Substrate() = [S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*} + +def Autocatalytic(N) = (N* Fuel() |N* Autocatalyst() |N* Substrate() ) + +def FluorescingAutocatalytic(N) = + (Autocatalytic(N) | N* [S6 S3^]{S4a^* S4b^*}) + +FluorescingAutocatalytic(100) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/catalytic.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/catalytic.crn new file mode 100644 index 0000000..0514527 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/catalytic.crn @@ -0,0 +1,16 @@ +directive sample 0.0,7000.0 1000 +directive scale 500.0 + +init "<2 3^ 4>" 13.0 | +init "<4 5^>" 10.0 | +init "<1>[2]:<6>[3^ 4]{5^*}" 10.0 | +init "<1>[2]:<6>[3^ 4]:<4>[5^]" 0.0 | +init "<1>[2]{3^*}:[4 5^]" 0.0 | +init "[2 3^ 4]:<4>[5^]" 0.0 | +init "[2 3^ 4]{5^*}" 0.0 | +init "<1 2>" 0.0 | +init "<6 3^ 4>" 0.0 | +"<1>[2]:<6>[3^ 4]{5^*}" + "<4 5^>" <->{0.00065}{0.004} "<1>[2]:<6>[3^ 4]:<4>[5^]" | +"<1>[2]{3^*}:[4 5^]" + "<2 3^ 4>" ->{0.00042} "[2 3^ 4]:<4>[5^]" + "<1 2>" | +"[2 3^ 4]:<4>[5^]" <->{0.004}{0.00065} "[2 3^ 4]{5^*}" + "<4 5^>" | +"<1>[2]:<6>[3^ 4]:<4>[5^]" <->{0.04}{0.00042} "<1>[2]{3^*}:[4 5^]" + "<6 3^ 4>" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers (Buggy).crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers (Buggy).crn new file mode 100644 index 0000000..a62c247 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers (Buggy).crn @@ -0,0 +1,226 @@ +directive sample 0.0,300000.0 1000 + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[100.0] and NoReactiveGates@[100.0] and Invariant@[0.0..100.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[10.0] and not NoReactiveGates@[10.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x0 t^]:[c]:[a t^]:[a]" 1.0 | +init "[t^ x0]{t^*}:[c]:[a t^]:[a]" 0.0 | +init "[t^ x0]:[t^ c a]{t^*}:[a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x0]:[t^ x1]:[c]:[t^ a]{t^*}" 1.0 | +init "[x0]:[t^ x1]:[c]{t^*}:[a t^]" 0.0 | +init "[x0]{t^*}:[x1 c t^]:[a t^]" 0.0 | +init "[x0 t^]:[x1 c t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x0]:[t^ c a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x1 t^]:[c.1]:[a t^]:[a]" 1.0 | +init "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]{t^*}:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" 1.0 | +init "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" 0.0 | +init "[x1]{t^*}:[x2 c.1 t^]:[a t^]" 0.0 | +init "[x1 t^]:[x2 c.1 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x2 t^]:[c.2]:[a t^]:[a]" 1.0 | +init "[t^ x2]{t^*}:[c.2]:[a t^]:[a]" 0.0 | +init "[t^ x2]:[t^ c.2 a]{t^*}:[a]" 0.0 | +init "[t^ x2]:[t^ c.2 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x2]:[t^ x3]:[c.2]:[t^ a]{t^*}" 1.0 | +init "[x2]:[t^ x3]:[c.2]{t^*}:[a t^]" 0.0 | +init "[x2]{t^*}:[x3 c.2 t^]:[a t^]" 0.0 | +init "[x2 t^]:[x3 c.2 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x3 t^]:[c.3]:[a t^]:[a]" 1.0 | +init "[t^ x3]{t^*}:[c.3]:[a t^]:[a]" 0.0 | +init "[t^ x3]:[t^ c.3 a]{t^*}:[a]" 0.0 | +init "[t^ x3]:[t^ c.3 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x3]:[t^ x4]:[c.3]:[t^ a]{t^*}" 1.0 | +init "[x3]:[t^ x4]:[c.3]{t^*}:[a t^]" 0.0 | +init "[x3]{t^*}:[x4 c.3 t^]:[a t^]" 0.0 | +init "[x3 t^]:[x4 c.3 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x4 t^]:[c.4]:[a t^]:[a]" 1.0 | +init "[t^ x4]{t^*}:[c.4]:[a t^]:[a]" 0.0 | +init "[t^ x4]:[t^ c.4 a]{t^*}:[a]" 0.0 | +init "[t^ x4]:[t^ c.4 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x4]:[t^ x5]:[c.4]:[t^ a]{t^*}" 1.0 | +init "[x4]:[t^ x5]:[c.4]{t^*}:[a t^]" 0.0 | +init "[x4]{t^*}:[x5 c.4 t^]:[a t^]" 0.0 | +init "[x4 t^]:[x5 c.4 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x5 t^]:[c.5]:[a t^]:[a]" 1.0 | +init "[t^ x5]{t^*}:[c.5]:[a t^]:[a]" 0.0 | +init "[t^ x5]:[t^ c.5 a]{t^*}:[a]" 0.0 | +init "[t^ x5]:[t^ c.5 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x5]:[t^ x6]:[c.5]:[t^ a]{t^*}" 1.0 | +init "[x5]:[t^ x6]:[c.5]{t^*}:[a t^]" 0.0 | +init "[x5]{t^*}:[x6 c.5 t^]:[a t^]" 0.0 | +init "[x5 t^]:[x6 c.5 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x6 t^]:[c.6]:[a t^]:[a]" 1.0 | +init "[t^ x6]{t^*}:[c.6]:[a t^]:[a]" 0.0 | +init "[t^ x6]:[t^ c.6 a]{t^*}:[a]" 0.0 | +init "[t^ x6]:[t^ c.6 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x6]:[t^ x7]:[c.6]:[t^ a]{t^*}" 1.0 | +init "[x6]:[t^ x7]:[c.6]{t^*}:[a t^]" 0.0 | +init "[x6]{t^*}:[x7 c.6 t^]:[a t^]" 0.0 | +init "[x6 t^]:[x7 c.6 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x7 t^]:[c.7]:[a t^]:[a]" 1.0 | +init "[t^ x7]{t^*}:[c.7]:[a t^]:[a]" 0.0 | +init "[t^ x7]:[t^ c.7 a]{t^*}:[a]" 0.0 | +init "[t^ x7]:[t^ c.7 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x7]:[t^ x8]:[c.7]:[t^ a]{t^*}" 1.0 | +init "[x7]:[t^ x8]:[c.7]{t^*}:[a t^]" 0.0 | +init "[x7]{t^*}:[x8 c.7 t^]:[a t^]" 0.0 | +init "[x7 t^]:[x8 c.7 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x8 t^]:[c.8]:[a t^]:[a]" 1.0 | +init "[t^ x8]{t^*}:[c.8]:[a t^]:[a]" 0.0 | +init "[t^ x8]:[t^ c.8 a]{t^*}:[a]" 0.0 | +init "[t^ x8]:[t^ c.8 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x8]:[t^ x9]:[c.8]:[t^ a]{t^*}" 1.0 | +init "[x8]:[t^ x9]:[c.8]{t^*}:[a t^]" 0.0 | +init "[x8]{t^*}:[x9 c.8 t^]:[a t^]" 0.0 | +init "[x8 t^]:[x9 c.8 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x9 t^]:[c.9]:[a t^]:[a]" 1.0 | +init "[t^ x9]{t^*}:[c.9]:[a t^]:[a]" 0.0 | +init "[t^ x9]:[t^ c.9 a]{t^*}:[a]" 0.0 | +init "[t^ x9]:[t^ c.9 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x9]:[t^ x10]:[c.9]:[t^ a]{t^*}" 1.0 | +init "[x9]:[t^ x10]:[c.9]{t^*}:[a t^]" 0.0 | +init "[x9]{t^*}:[x10 c.9 t^]:[a t^]" 0.0 | +init "[x9 t^]:[x10 c.9 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]{t^*}:[a]" + "" + "" | +"{t^*}[x0 t^]:[c]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" | +"[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" ->{0.001} "[x0]{t^*}:[x1 c t^]:[a t^]" + "" + "" | +"[x0]{t^*}:[x1 c t^]:[a t^]" + "" ->{0.001} "[x0 t^]:[x1 c t^]:[a t^]" + "" | +"[t^ x0]:[t^ c a]{t^*}:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]:[t^ a]" + "" | +"[x0]:[t^ x1]:[c]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" | +"[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" + "" | +"[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]:[t^ a]" + "" | +"{t^*}[x1 t^]:[c.1]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" | +"[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" | +"[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" ->{0.001} "[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" + "" | +"[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" ->{0.001} "[x1 t^]:[x2 c.1 t^]:[a t^]" + "" | +"[t^ x2]{t^*}:[c.2]:[a t^]:[a]" + "" ->{0.001} "[t^ x2]:[t^ c.2 a]{t^*}:[a]" + "" + "" | +"[t^ x2]:[t^ c.2 a]{t^*}:[a]" + "" ->{0.001} "[t^ x2]:[t^ c.2 a]:[t^ a]" + "" | +"{t^*}[x2 t^]:[c.2]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x2]{t^*}:[c.2]:[a t^]:[a]" + "" | +"[x2]:[t^ x3]:[c.2]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x2]:[t^ x3]:[c.2]{t^*}:[a t^]" + "" | +"[x2]:[t^ x3]:[c.2]{t^*}:[a t^]" + "" ->{0.001} "[x2]{t^*}:[x3 c.2 t^]:[a t^]" + "" + "" | +"[x2]{t^*}:[x3 c.2 t^]:[a t^]" + "" ->{0.001} "[x2 t^]:[x3 c.2 t^]:[a t^]" + "" | +"[t^ x3]{t^*}:[c.3]:[a t^]:[a]" + "" ->{0.001} "[t^ x3]:[t^ c.3 a]{t^*}:[a]" + "" + "" | +"[t^ x3]:[t^ c.3 a]{t^*}:[a]" + "" ->{0.001} "[t^ x3]:[t^ c.3 a]:[t^ a]" + "" | +"{t^*}[x3 t^]:[c.3]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x3]{t^*}:[c.3]:[a t^]:[a]" + "" | +"[x3]:[t^ x4]:[c.3]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x3]:[t^ x4]:[c.3]{t^*}:[a t^]" + "" | +"[x3]:[t^ x4]:[c.3]{t^*}:[a t^]" + "" ->{0.001} "[x3]{t^*}:[x4 c.3 t^]:[a t^]" + "" + "" | +"[x3]{t^*}:[x4 c.3 t^]:[a t^]" + "" ->{0.001} "[x3 t^]:[x4 c.3 t^]:[a t^]" + "" | +"[t^ x4]{t^*}:[c.4]:[a t^]:[a]" + "" ->{0.001} "[t^ x4]:[t^ c.4 a]{t^*}:[a]" + "" + "" | +"[t^ x4]:[t^ c.4 a]{t^*}:[a]" + "" ->{0.001} "[t^ x4]:[t^ c.4 a]:[t^ a]" + "" | +"{t^*}[x4 t^]:[c.4]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x4]{t^*}:[c.4]:[a t^]:[a]" + "" | +"[x4]:[t^ x5]:[c.4]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x4]:[t^ x5]:[c.4]{t^*}:[a t^]" + "" | +"[x4]:[t^ x5]:[c.4]{t^*}:[a t^]" + "" ->{0.001} "[x4]{t^*}:[x5 c.4 t^]:[a t^]" + "" + "" | +"[x4]{t^*}:[x5 c.4 t^]:[a t^]" + "" ->{0.001} "[x4 t^]:[x5 c.4 t^]:[a t^]" + "" | +"[t^ x5]{t^*}:[c.5]:[a t^]:[a]" + "" ->{0.001} "[t^ x5]:[t^ c.5 a]{t^*}:[a]" + "" + "" | +"[t^ x5]:[t^ c.5 a]{t^*}:[a]" + "" ->{0.001} "[t^ x5]:[t^ c.5 a]:[t^ a]" + "" | +"{t^*}[x5 t^]:[c.5]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x5]{t^*}:[c.5]:[a t^]:[a]" + "" | +"[x5]:[t^ x6]:[c.5]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x5]:[t^ x6]:[c.5]{t^*}:[a t^]" + "" | +"[x5]:[t^ x6]:[c.5]{t^*}:[a t^]" + "" ->{0.001} "[x5]{t^*}:[x6 c.5 t^]:[a t^]" + "" + "" | +"[x5]{t^*}:[x6 c.5 t^]:[a t^]" + "" ->{0.001} "[x5 t^]:[x6 c.5 t^]:[a t^]" + "" | +"[t^ x6]{t^*}:[c.6]:[a t^]:[a]" + "" ->{0.001} "[t^ x6]:[t^ c.6 a]{t^*}:[a]" + "" + "" | +"[t^ x6]:[t^ c.6 a]{t^*}:[a]" + "" ->{0.001} "[t^ x6]:[t^ c.6 a]:[t^ a]" + "" | +"{t^*}[x6 t^]:[c.6]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x6]{t^*}:[c.6]:[a t^]:[a]" + "" | +"[x6]:[t^ x7]:[c.6]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x6]:[t^ x7]:[c.6]{t^*}:[a t^]" + "" | +"[x6]:[t^ x7]:[c.6]{t^*}:[a t^]" + "" ->{0.001} "[x6]{t^*}:[x7 c.6 t^]:[a t^]" + "" + "" | +"[x6]{t^*}:[x7 c.6 t^]:[a t^]" + "" ->{0.001} "[x6 t^]:[x7 c.6 t^]:[a t^]" + "" | +"[t^ x7]{t^*}:[c.7]:[a t^]:[a]" + "" ->{0.001} "[t^ x7]:[t^ c.7 a]{t^*}:[a]" + "" + "" | +"[t^ x7]:[t^ c.7 a]{t^*}:[a]" + "" ->{0.001} "[t^ x7]:[t^ c.7 a]:[t^ a]" + "" | +"{t^*}[x7 t^]:[c.7]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x7]{t^*}:[c.7]:[a t^]:[a]" + "" | +"[x7]:[t^ x8]:[c.7]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x7]:[t^ x8]:[c.7]{t^*}:[a t^]" + "" | +"[x7]:[t^ x8]:[c.7]{t^*}:[a t^]" + "" ->{0.001} "[x7]{t^*}:[x8 c.7 t^]:[a t^]" + "" + "" | +"[x7]{t^*}:[x8 c.7 t^]:[a t^]" + "" ->{0.001} "[x7 t^]:[x8 c.7 t^]:[a t^]" + "" | +"[t^ x8]{t^*}:[c.8]:[a t^]:[a]" + "" ->{0.001} "[t^ x8]:[t^ c.8 a]{t^*}:[a]" + "" + "" | +"[t^ x8]:[t^ c.8 a]{t^*}:[a]" + "" ->{0.001} "[t^ x8]:[t^ c.8 a]:[t^ a]" + "" | +"{t^*}[x8 t^]:[c.8]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x8]{t^*}:[c.8]:[a t^]:[a]" + "" | +"[x8]:[t^ x9]:[c.8]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x8]:[t^ x9]:[c.8]{t^*}:[a t^]" + "" | +"[x8]:[t^ x9]:[c.8]{t^*}:[a t^]" + "" ->{0.001} "[x8]{t^*}:[x9 c.8 t^]:[a t^]" + "" + "" | +"[x8]{t^*}:[x9 c.8 t^]:[a t^]" + "" ->{0.001} "[x8 t^]:[x9 c.8 t^]:[a t^]" + "" | +"[t^ x9]{t^*}:[c.9]:[a t^]:[a]" + "" ->{0.001} "[t^ x9]:[t^ c.9 a]{t^*}:[a]" + "" + "" | +"[t^ x9]:[t^ c.9 a]{t^*}:[a]" + "" ->{0.001} "[t^ x9]:[t^ c.9 a]:[t^ a]" + "" | +"{t^*}[x9 t^]:[c.9]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x9]{t^*}:[c.9]:[a t^]:[a]" + "" | +"[x9]:[t^ x10]:[c.9]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x9]:[t^ x10]:[c.9]{t^*}:[a t^]" + "" | +"[x9]:[t^ x10]:[c.9]{t^*}:[a t^]" + "" ->{0.001} "[x9]{t^*}:[x10 c.9 t^]:[a t^]" + "" + "" | +"[x9]{t^*}:[x10 c.9 t^]:[a t^]" + "" ->{0.001} "[x9 t^]:[x10 c.9 t^]:[a t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers (Buggy).dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers (Buggy).dna new file mode 100644 index 0000000..82feb59 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers (Buggy).dna @@ -0,0 +1,52 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[10] and not NoReactiveGates@[10] +} + +(* Try to prove that a good state is reachable through BMC + (out of memory without the invariant assertion) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[100] and NoReactiveGates@[100] and +Invariant@[0 .. 100] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 new x10 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) | T(N, x2, x3) | T(N, x3, x4)| T(N, x4, x5)| T(N, x5, x6)| T(N, x6, x7) | T(N, x7, x8) | T(N, x8, x9) | T(N, x9, x10)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers.crn new file mode 100644 index 0000000..2b6b690 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers.crn @@ -0,0 +1,243 @@ +directive sample 0.0,300000.0 1000 + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x0 t^]:[c]:[a t^]:[a]" 1.0 | +init "[t^ x0]{t^*}:[c]:[a t^]:[a]" 0.0 | +init "[t^ x0]:[t^ c a]{t^*}:[a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x0]:[t^ x1]:[c]:[t^ a]{t^*}" 1.0 | +init "[x0]:[t^ x1]:[c]{t^*}:[a t^]" 0.0 | +init "[x0]{t^*}:[x1 c t^]:[a t^]" 0.0 | +init "[x0 t^]:[x1 c t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x0]:[t^ c a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x1 t^]:[c.1]:[a.2 t^]:[a.2]" 1.0 | +init "[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" 0.0 | +init "[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x1]:[t^ x2]:[c.1]:[t^ a.2]{t^*}" 1.0 | +init "[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" 0.0 | +init "[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" 0.0 | +init "[x1 t^]:[x2 c.1 t^]:[a.2 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x1]:[t^ c.1 a.2]:[t^ a.2]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x2 t^]:[c.3]:[a.4 t^]:[a.4]" 1.0 | +init "[t^ x2]{t^*}:[c.3]:[a.4 t^]:[a.4]" 0.0 | +init "[t^ x2]:[t^ c.3 a.4]{t^*}:[a.4]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x2]:[t^ x3]:[c.3]:[t^ a.4]{t^*}" 1.0 | +init "[x2]:[t^ x3]:[c.3]{t^*}:[a.4 t^]" 0.0 | +init "[x2]{t^*}:[x3 c.3 t^]:[a.4 t^]" 0.0 | +init "[x2 t^]:[x3 c.3 t^]:[a.4 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x2]:[t^ c.3 a.4]:[t^ a.4]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x3 t^]:[c.5]:[a.6 t^]:[a.6]" 1.0 | +init "[t^ x3]{t^*}:[c.5]:[a.6 t^]:[a.6]" 0.0 | +init "[t^ x3]:[t^ c.5 a.6]{t^*}:[a.6]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x3]:[t^ x4]:[c.5]:[t^ a.6]{t^*}" 1.0 | +init "[x3]:[t^ x4]:[c.5]{t^*}:[a.6 t^]" 0.0 | +init "[x3]{t^*}:[x4 c.5 t^]:[a.6 t^]" 0.0 | +init "[x3 t^]:[x4 c.5 t^]:[a.6 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x3]:[t^ c.5 a.6]:[t^ a.6]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x4 t^]:[c.7]:[a.8 t^]:[a.8]" 1.0 | +init "[t^ x4]{t^*}:[c.7]:[a.8 t^]:[a.8]" 0.0 | +init "[t^ x4]:[t^ c.7 a.8]{t^*}:[a.8]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x4]:[t^ x5]:[c.7]:[t^ a.8]{t^*}" 1.0 | +init "[x4]:[t^ x5]:[c.7]{t^*}:[a.8 t^]" 0.0 | +init "[x4]{t^*}:[x5 c.7 t^]:[a.8 t^]" 0.0 | +init "[x4 t^]:[x5 c.7 t^]:[a.8 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x4]:[t^ c.7 a.8]:[t^ a.8]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x5 t^]:[c.9]:[a.10 t^]:[a.10]" 1.0 | +init "[t^ x5]{t^*}:[c.9]:[a.10 t^]:[a.10]" 0.0 | +init "[t^ x5]:[t^ c.9 a.10]{t^*}:[a.10]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x5]:[t^ x6]:[c.9]:[t^ a.10]{t^*}" 1.0 | +init "[x5]:[t^ x6]:[c.9]{t^*}:[a.10 t^]" 0.0 | +init "[x5]{t^*}:[x6 c.9 t^]:[a.10 t^]" 0.0 | +init "[x5 t^]:[x6 c.9 t^]:[a.10 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x5]:[t^ c.9 a.10]:[t^ a.10]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x6 t^]:[c.11]:[a.12 t^]:[a.12]" 1.0 | +init "[t^ x6]{t^*}:[c.11]:[a.12 t^]:[a.12]" 0.0 | +init "[t^ x6]:[t^ c.11 a.12]{t^*}:[a.12]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x6]:[t^ x7]:[c.11]:[t^ a.12]{t^*}" 1.0 | +init "[x6]:[t^ x7]:[c.11]{t^*}:[a.12 t^]" 0.0 | +init "[x6]{t^*}:[x7 c.11 t^]:[a.12 t^]" 0.0 | +init "[x6 t^]:[x7 c.11 t^]:[a.12 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x6]:[t^ c.11 a.12]:[t^ a.12]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x7 t^]:[c.13]:[a.14 t^]:[a.14]" 1.0 | +init "[t^ x7]{t^*}:[c.13]:[a.14 t^]:[a.14]" 0.0 | +init "[t^ x7]:[t^ c.13 a.14]{t^*}:[a.14]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x7]:[t^ x8]:[c.13]:[t^ a.14]{t^*}" 1.0 | +init "[x7]:[t^ x8]:[c.13]{t^*}:[a.14 t^]" 0.0 | +init "[x7]{t^*}:[x8 c.13 t^]:[a.14 t^]" 0.0 | +init "[x7 t^]:[x8 c.13 t^]:[a.14 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x7]:[t^ c.13 a.14]:[t^ a.14]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x8 t^]:[c.15]:[a.16 t^]:[a.16]" 1.0 | +init "[t^ x8]{t^*}:[c.15]:[a.16 t^]:[a.16]" 0.0 | +init "[t^ x8]:[t^ c.15 a.16]{t^*}:[a.16]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x8]:[t^ x9]:[c.15]:[t^ a.16]{t^*}" 1.0 | +init "[x8]:[t^ x9]:[c.15]{t^*}:[a.16 t^]" 0.0 | +init "[x8]{t^*}:[x9 c.15 t^]:[a.16 t^]" 0.0 | +init "[x8 t^]:[x9 c.15 t^]:[a.16 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x8]:[t^ c.15 a.16]:[t^ a.16]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x9 t^]:[c.17]:[a.18 t^]:[a.18]" 1.0 | +init "[t^ x9]{t^*}:[c.17]:[a.18 t^]:[a.18]" 0.0 | +init "[t^ x9]:[t^ c.17 a.18]{t^*}:[a.18]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x9]:[t^ x10]:[c.17]:[t^ a.18]{t^*}" 1.0 | +init "[x9]:[t^ x10]:[c.17]{t^*}:[a.18 t^]" 0.0 | +init "[x9]{t^*}:[x10 c.17 t^]:[a.18 t^]" 0.0 | +init "[x9 t^]:[x10 c.17 t^]:[a.18 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x9]:[t^ c.17 a.18]:[t^ a.18]" 0.0 | +init "" 0.0 | +"[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]{t^*}:[a]" + "" + "" | +"{t^*}[x0 t^]:[c]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" | +"[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" ->{0.001} "[x0]{t^*}:[x1 c t^]:[a t^]" + "" + "" | +"[x0]{t^*}:[x1 c t^]:[a t^]" + "" ->{0.001} "[x0 t^]:[x1 c t^]:[a t^]" + "" | +"[t^ x0]:[t^ c a]{t^*}:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]:[t^ a]" + "" | +"[x0]:[t^ x1]:[c]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" | +"[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" + "" + "" | +"{t^*}[x1 t^]:[c.1]:[a.2 t^]:[a.2]" + "" <->{0.001}{0.001} "[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" + "" | +"[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" + "" ->{0.001} "[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" + "" + "" | +"[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" + "" ->{0.001} "[x1 t^]:[x2 c.1 t^]:[a.2 t^]" + "" | +"[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a.2]:[t^ a.2]" + "" | +"[x1]:[t^ x2]:[c.1]:[t^ a.2]{t^*}" + "" <->{0.001}{0.001} "[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" + "" | +"[t^ x2]{t^*}:[c.3]:[a.4 t^]:[a.4]" + "" ->{0.001} "[t^ x2]:[t^ c.3 a.4]{t^*}:[a.4]" + "" + "" | +"{t^*}[x2 t^]:[c.3]:[a.4 t^]:[a.4]" + "" <->{0.001}{0.001} "[t^ x2]{t^*}:[c.3]:[a.4 t^]:[a.4]" + "" | +"[x2]:[t^ x3]:[c.3]{t^*}:[a.4 t^]" + "" ->{0.001} "[x2]{t^*}:[x3 c.3 t^]:[a.4 t^]" + "" + "" | +"[x2]{t^*}:[x3 c.3 t^]:[a.4 t^]" + "" ->{0.001} "[x2 t^]:[x3 c.3 t^]:[a.4 t^]" + "" | +"[t^ x2]:[t^ c.3 a.4]{t^*}:[a.4]" + "" ->{0.001} "[t^ x2]:[t^ c.3 a.4]:[t^ a.4]" + "" | +"[x2]:[t^ x3]:[c.3]:[t^ a.4]{t^*}" + "" <->{0.001}{0.001} "[x2]:[t^ x3]:[c.3]{t^*}:[a.4 t^]" + "" | +"[t^ x3]{t^*}:[c.5]:[a.6 t^]:[a.6]" + "" ->{0.001} "[t^ x3]:[t^ c.5 a.6]{t^*}:[a.6]" + "" + "" | +"{t^*}[x3 t^]:[c.5]:[a.6 t^]:[a.6]" + "" <->{0.001}{0.001} "[t^ x3]{t^*}:[c.5]:[a.6 t^]:[a.6]" + "" | +"[x3]:[t^ x4]:[c.5]{t^*}:[a.6 t^]" + "" ->{0.001} "[x3]{t^*}:[x4 c.5 t^]:[a.6 t^]" + "" + "" | +"[x3]{t^*}:[x4 c.5 t^]:[a.6 t^]" + "" ->{0.001} "[x3 t^]:[x4 c.5 t^]:[a.6 t^]" + "" | +"[t^ x3]:[t^ c.5 a.6]{t^*}:[a.6]" + "" ->{0.001} "[t^ x3]:[t^ c.5 a.6]:[t^ a.6]" + "" | +"[x3]:[t^ x4]:[c.5]:[t^ a.6]{t^*}" + "" <->{0.001}{0.001} "[x3]:[t^ x4]:[c.5]{t^*}:[a.6 t^]" + "" | +"[t^ x4]{t^*}:[c.7]:[a.8 t^]:[a.8]" + "" ->{0.001} "[t^ x4]:[t^ c.7 a.8]{t^*}:[a.8]" + "" + "" | +"{t^*}[x4 t^]:[c.7]:[a.8 t^]:[a.8]" + "" <->{0.001}{0.001} "[t^ x4]{t^*}:[c.7]:[a.8 t^]:[a.8]" + "" | +"[x4]:[t^ x5]:[c.7]{t^*}:[a.8 t^]" + "" ->{0.001} "[x4]{t^*}:[x5 c.7 t^]:[a.8 t^]" + "" + "" | +"[x4]{t^*}:[x5 c.7 t^]:[a.8 t^]" + "" ->{0.001} "[x4 t^]:[x5 c.7 t^]:[a.8 t^]" + "" | +"[t^ x4]:[t^ c.7 a.8]{t^*}:[a.8]" + "" ->{0.001} "[t^ x4]:[t^ c.7 a.8]:[t^ a.8]" + "" | +"[x4]:[t^ x5]:[c.7]:[t^ a.8]{t^*}" + "" <->{0.001}{0.001} "[x4]:[t^ x5]:[c.7]{t^*}:[a.8 t^]" + "" | +"[t^ x5]{t^*}:[c.9]:[a.10 t^]:[a.10]" + "" ->{0.001} "[t^ x5]:[t^ c.9 a.10]{t^*}:[a.10]" + "" + "" | +"{t^*}[x5 t^]:[c.9]:[a.10 t^]:[a.10]" + "" <->{0.001}{0.001} "[t^ x5]{t^*}:[c.9]:[a.10 t^]:[a.10]" + "" | +"[x5]:[t^ x6]:[c.9]{t^*}:[a.10 t^]" + "" ->{0.001} "[x5]{t^*}:[x6 c.9 t^]:[a.10 t^]" + "" + "" | +"[x5]{t^*}:[x6 c.9 t^]:[a.10 t^]" + "" ->{0.001} "[x5 t^]:[x6 c.9 t^]:[a.10 t^]" + "" | +"[t^ x5]:[t^ c.9 a.10]{t^*}:[a.10]" + "" ->{0.001} "[t^ x5]:[t^ c.9 a.10]:[t^ a.10]" + "" | +"[x5]:[t^ x6]:[c.9]:[t^ a.10]{t^*}" + "" <->{0.001}{0.001} "[x5]:[t^ x6]:[c.9]{t^*}:[a.10 t^]" + "" | +"[t^ x6]{t^*}:[c.11]:[a.12 t^]:[a.12]" + "" ->{0.001} "[t^ x6]:[t^ c.11 a.12]{t^*}:[a.12]" + "" + "" | +"{t^*}[x6 t^]:[c.11]:[a.12 t^]:[a.12]" + "" <->{0.001}{0.001} "[t^ x6]{t^*}:[c.11]:[a.12 t^]:[a.12]" + "" | +"[x6]:[t^ x7]:[c.11]{t^*}:[a.12 t^]" + "" ->{0.001} "[x6]{t^*}:[x7 c.11 t^]:[a.12 t^]" + "" + "" | +"[x6]{t^*}:[x7 c.11 t^]:[a.12 t^]" + "" ->{0.001} "[x6 t^]:[x7 c.11 t^]:[a.12 t^]" + "" | +"[t^ x6]:[t^ c.11 a.12]{t^*}:[a.12]" + "" ->{0.001} "[t^ x6]:[t^ c.11 a.12]:[t^ a.12]" + "" | +"[x6]:[t^ x7]:[c.11]:[t^ a.12]{t^*}" + "" <->{0.001}{0.001} "[x6]:[t^ x7]:[c.11]{t^*}:[a.12 t^]" + "" | +"[t^ x7]{t^*}:[c.13]:[a.14 t^]:[a.14]" + "" ->{0.001} "[t^ x7]:[t^ c.13 a.14]{t^*}:[a.14]" + "" + "" | +"{t^*}[x7 t^]:[c.13]:[a.14 t^]:[a.14]" + "" <->{0.001}{0.001} "[t^ x7]{t^*}:[c.13]:[a.14 t^]:[a.14]" + "" | +"[x7]:[t^ x8]:[c.13]{t^*}:[a.14 t^]" + "" ->{0.001} "[x7]{t^*}:[x8 c.13 t^]:[a.14 t^]" + "" + "" | +"[x7]{t^*}:[x8 c.13 t^]:[a.14 t^]" + "" ->{0.001} "[x7 t^]:[x8 c.13 t^]:[a.14 t^]" + "" | +"[t^ x7]:[t^ c.13 a.14]{t^*}:[a.14]" + "" ->{0.001} "[t^ x7]:[t^ c.13 a.14]:[t^ a.14]" + "" | +"[x7]:[t^ x8]:[c.13]:[t^ a.14]{t^*}" + "" <->{0.001}{0.001} "[x7]:[t^ x8]:[c.13]{t^*}:[a.14 t^]" + "" | +"[t^ x8]{t^*}:[c.15]:[a.16 t^]:[a.16]" + "" ->{0.001} "[t^ x8]:[t^ c.15 a.16]{t^*}:[a.16]" + "" + "" | +"{t^*}[x8 t^]:[c.15]:[a.16 t^]:[a.16]" + "" <->{0.001}{0.001} "[t^ x8]{t^*}:[c.15]:[a.16 t^]:[a.16]" + "" | +"[x8]:[t^ x9]:[c.15]{t^*}:[a.16 t^]" + "" ->{0.001} "[x8]{t^*}:[x9 c.15 t^]:[a.16 t^]" + "" + "" | +"[x8]{t^*}:[x9 c.15 t^]:[a.16 t^]" + "" ->{0.001} "[x8 t^]:[x9 c.15 t^]:[a.16 t^]" + "" | +"[t^ x8]:[t^ c.15 a.16]{t^*}:[a.16]" + "" ->{0.001} "[t^ x8]:[t^ c.15 a.16]:[t^ a.16]" + "" | +"[x8]:[t^ x9]:[c.15]:[t^ a.16]{t^*}" + "" <->{0.001}{0.001} "[x8]:[t^ x9]:[c.15]{t^*}:[a.16 t^]" + "" | +"[t^ x9]{t^*}:[c.17]:[a.18 t^]:[a.18]" + "" ->{0.001} "[t^ x9]:[t^ c.17 a.18]{t^*}:[a.18]" + "" + "" | +"{t^*}[x9 t^]:[c.17]:[a.18 t^]:[a.18]" + "" <->{0.001}{0.001} "[t^ x9]{t^*}:[c.17]:[a.18 t^]:[a.18]" + "" | +"[x9]:[t^ x10]:[c.17]{t^*}:[a.18 t^]" + "" ->{0.001} "[x9]{t^*}:[x10 c.17 t^]:[a.18 t^]" + "" + "" | +"[x9]{t^*}:[x10 c.17 t^]:[a.18 t^]" + "" ->{0.001} "[x9 t^]:[x10 c.17 t^]:[a.18 t^]" + "" | +"[t^ x9]:[t^ c.17 a.18]{t^*}:[a.18]" + "" ->{0.001} "[t^ x9]:[t^ c.17 a.18]:[t^ a.18]" + "" | +"[x9]:[t^ x10]:[c.17]:[t^ a.18]{t^*}" + "" <->{0.001}{0.001} "[x9]:[t^ x10]:[c.17]{t^*}:[a.18 t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers.dna new file mode 100644 index 0000000..c73fc97 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/10 Transducers.dna @@ -0,0 +1,38 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c new a +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 new x10 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) | T(N, x2, x3) | T(N, x3, x4)| T(N, x4, x5)| T(N, x5, x6)| T(N, x6, x7) | T(N, x7, x8) | T(N, x8, x9) | T(N, x9, x10)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers (Buggy).crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers (Buggy).crn new file mode 100644 index 0000000..719ffa0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers (Buggy).crn @@ -0,0 +1,66 @@ +directive sample 0.0,300000.0 1000 + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and NoReactiveGates@[20.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and not NoReactiveGates@[20.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x0 t^]:[c]:[a t^]:[a]" 1.0 | +init "[t^ x0]{t^*}:[c]:[a t^]:[a]" 0.0 | +init "[t^ x0]:[t^ c a]{t^*}:[a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x0]:[t^ x1]:[c]:[t^ a]{t^*}" 1.0 | +init "[x0]:[t^ x1]:[c]{t^*}:[a t^]" 0.0 | +init "[x0]{t^*}:[x1 c t^]:[a t^]" 0.0 | +init "[x0 t^]:[x1 c t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x0]:[t^ c a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x1 t^]:[c.1]:[a t^]:[a]" 1.0 | +init "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]{t^*}:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" 1.0 | +init "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" 0.0 | +init "[x1]{t^*}:[x2 c.1 t^]:[a t^]" 0.0 | +init "[x1 t^]:[x2 c.1 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]{t^*}:[a]" + "" + "" | +"{t^*}[x0 t^]:[c]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" | +"[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" ->{0.001} "[x0]{t^*}:[x1 c t^]:[a t^]" + "" + "" | +"[x0]{t^*}:[x1 c t^]:[a t^]" + "" ->{0.001} "[x0 t^]:[x1 c t^]:[a t^]" + "" | +"[t^ x0]:[t^ c a]{t^*}:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]:[t^ a]" + "" | +"[x0]:[t^ x1]:[c]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" | +"[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" + "" | +"[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]:[t^ a]" + "" | +"{t^*}[x1 t^]:[c.1]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" | +"[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" | +"[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" ->{0.001} "[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" + "" | +"[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" ->{0.001} "[x1 t^]:[x2 c.1 t^]:[a t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers (Buggy).dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers (Buggy).dna new file mode 100644 index 0000000..385e07f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers (Buggy).dna @@ -0,0 +1,49 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC (works for very large N) *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[20] and not NoReactiveGates@[20] +} + +(* Try to prove that a good state is reachable through BMC (works for very large N) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[20] and NoReactiveGates@[20] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers.crn new file mode 100644 index 0000000..88e8e90 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers.crn @@ -0,0 +1,69 @@ +directive sample 0.0,300000.0 1000 + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and NoReactiveGates@[20.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and not NoReactiveGates@[20.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x0 t^]:[c]:[a t^]:[a]" 1.0 | +init "[t^ x0]{t^*}:[c]:[a t^]:[a]" 0.0 | +init "[t^ x0]:[t^ c a]{t^*}:[a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x0]:[t^ x1]:[c]:[t^ a]{t^*}" 1.0 | +init "[x0]:[t^ x1]:[c]{t^*}:[a t^]" 0.0 | +init "[x0]{t^*}:[x1 c t^]:[a t^]" 0.0 | +init "[x0 t^]:[x1 c t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x0]:[t^ c a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x1 t^]:[c.1]:[a.2 t^]:[a.2]" 1.0 | +init "[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" 0.0 | +init "[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x1]:[t^ x2]:[c.1]:[t^ a.2]{t^*}" 1.0 | +init "[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" 0.0 | +init "[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" 0.0 | +init "[x1 t^]:[x2 c.1 t^]:[a.2 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x1]:[t^ c.1 a.2]:[t^ a.2]" 0.0 | +init "" 0.0 | +"[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]{t^*}:[a]" + "" + "" | +"{t^*}[x0 t^]:[c]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" | +"[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" ->{0.001} "[x0]{t^*}:[x1 c t^]:[a t^]" + "" + "" | +"[x0]{t^*}:[x1 c t^]:[a t^]" + "" ->{0.001} "[x0 t^]:[x1 c t^]:[a t^]" + "" | +"[t^ x0]:[t^ c a]{t^*}:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]:[t^ a]" + "" | +"[x0]:[t^ x1]:[c]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" | +"[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" + "" + "" | +"{t^*}[x1 t^]:[c.1]:[a.2 t^]:[a.2]" + "" <->{0.001}{0.001} "[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" + "" | +"[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" + "" ->{0.001} "[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" + "" + "" | +"[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" + "" ->{0.001} "[x1 t^]:[x2 c.1 t^]:[a.2 t^]" + "" | +"[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a.2]:[t^ a.2]" + "" | +"[x1]:[t^ x2]:[c.1]:[t^ a.2]{t^*}" + "" <->{0.001}{0.001} "[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers.dna new file mode 100644 index 0000000..c2d790e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/2 Transducers.dna @@ -0,0 +1,49 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC (works for very large N) *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[20] and not NoReactiveGates@[20] +} + +(* Try to prove that a good state is reachable through BMC (works for very large N) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[20] and NoReactiveGates@[20] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c new a +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers (Buggy).crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers (Buggy).crn new file mode 100644 index 0000000..782fa04 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers (Buggy).crn @@ -0,0 +1,86 @@ +directive sample 0.0,300000.0 1000 + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and NoReactiveGates@[20.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and not NoReactiveGates@[20.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x0 t^]:[c]:[a t^]:[a]" 1.0 | +init "[t^ x0]{t^*}:[c]:[a t^]:[a]" 0.0 | +init "[t^ x0]:[t^ c a]{t^*}:[a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x0]:[t^ x1]:[c]:[t^ a]{t^*}" 1.0 | +init "[x0]:[t^ x1]:[c]{t^*}:[a t^]" 0.0 | +init "[x0]{t^*}:[x1 c t^]:[a t^]" 0.0 | +init "[x0 t^]:[x1 c t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x0]:[t^ c a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x1 t^]:[c.1]:[a t^]:[a]" 1.0 | +init "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]{t^*}:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" 1.0 | +init "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" 0.0 | +init "[x1]{t^*}:[x2 c.1 t^]:[a t^]" 0.0 | +init "[x1 t^]:[x2 c.1 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x2 t^]:[c.2]:[a t^]:[a]" 1.0 | +init "[t^ x2]{t^*}:[c.2]:[a t^]:[a]" 0.0 | +init "[t^ x2]:[t^ c.2 a]{t^*}:[a]" 0.0 | +init "[t^ x2]:[t^ c.2 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x2]:[t^ x3]:[c.2]:[t^ a]{t^*}" 1.0 | +init "[x2]:[t^ x3]:[c.2]{t^*}:[a t^]" 0.0 | +init "[x2]{t^*}:[x3 c.2 t^]:[a t^]" 0.0 | +init "[x2 t^]:[x3 c.2 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]{t^*}:[a]" + "" + "" | +"{t^*}[x0 t^]:[c]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" | +"[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" ->{0.001} "[x0]{t^*}:[x1 c t^]:[a t^]" + "" + "" | +"[x0]{t^*}:[x1 c t^]:[a t^]" + "" ->{0.001} "[x0 t^]:[x1 c t^]:[a t^]" + "" | +"[t^ x0]:[t^ c a]{t^*}:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]:[t^ a]" + "" | +"[x0]:[t^ x1]:[c]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" | +"[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" + "" | +"[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]:[t^ a]" + "" | +"{t^*}[x1 t^]:[c.1]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" | +"[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" | +"[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" ->{0.001} "[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" + "" | +"[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" ->{0.001} "[x1 t^]:[x2 c.1 t^]:[a t^]" + "" | +"[t^ x2]{t^*}:[c.2]:[a t^]:[a]" + "" ->{0.001} "[t^ x2]:[t^ c.2 a]{t^*}:[a]" + "" + "" | +"[t^ x2]:[t^ c.2 a]{t^*}:[a]" + "" ->{0.001} "[t^ x2]:[t^ c.2 a]:[t^ a]" + "" | +"{t^*}[x2 t^]:[c.2]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x2]{t^*}:[c.2]:[a t^]:[a]" + "" | +"[x2]:[t^ x3]:[c.2]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x2]:[t^ x3]:[c.2]{t^*}:[a t^]" + "" | +"[x2]:[t^ x3]:[c.2]{t^*}:[a t^]" + "" ->{0.001} "[x2]{t^*}:[x3 c.2 t^]:[a t^]" + "" + "" | +"[x2]{t^*}:[x3 c.2 t^]:[a t^]" + "" ->{0.001} "[x2 t^]:[x3 c.2 t^]:[a t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers (Buggy).dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers (Buggy).dna new file mode 100644 index 0000000..d8fccfc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers (Buggy).dna @@ -0,0 +1,49 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC (works for very large N) *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[20] and not NoReactiveGates@[20] +} + +(* Try to prove that a good state is reachable through BMC (works for very large N) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[20] and NoReactiveGates@[20] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * + | N * {t^*}:[x t^]:[c]:[a t^]:[a] + | N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + + new x0 new x1 new x2 new x3 + def N = 1 + ( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) | T(N, x2, x3) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers.crn new file mode 100644 index 0000000..324f3bb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers.crn @@ -0,0 +1,92 @@ +directive sample 0.0,300000.0 1000 + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and NoReactiveGates@[20.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and not NoReactiveGates@[20.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x0 t^]:[c]:[a t^]:[a]" 1.0 | +init "[t^ x0]{t^*}:[c]:[a t^]:[a]" 0.0 | +init "[t^ x0]:[t^ c a]{t^*}:[a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x0]:[t^ x1]:[c]:[t^ a]{t^*}" 1.0 | +init "[x0]:[t^ x1]:[c]{t^*}:[a t^]" 0.0 | +init "[x0]{t^*}:[x1 c t^]:[a t^]" 0.0 | +init "[x0 t^]:[x1 c t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x0]:[t^ c a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x1 t^]:[c.1]:[a.2 t^]:[a.2]" 1.0 | +init "[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" 0.0 | +init "[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x1]:[t^ x2]:[c.1]:[t^ a.2]{t^*}" 1.0 | +init "[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" 0.0 | +init "[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" 0.0 | +init "[x1 t^]:[x2 c.1 t^]:[a.2 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x1]:[t^ c.1 a.2]:[t^ a.2]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x2 t^]:[c.3]:[a.4 t^]:[a.4]" 1.0 | +init "[t^ x2]{t^*}:[c.3]:[a.4 t^]:[a.4]" 0.0 | +init "[t^ x2]:[t^ c.3 a.4]{t^*}:[a.4]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x2]:[t^ x3]:[c.3]:[t^ a.4]{t^*}" 1.0 | +init "[x2]:[t^ x3]:[c.3]{t^*}:[a.4 t^]" 0.0 | +init "[x2]{t^*}:[x3 c.3 t^]:[a.4 t^]" 0.0 | +init "[x2 t^]:[x3 c.3 t^]:[a.4 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x2]:[t^ c.3 a.4]:[t^ a.4]" 0.0 | +init "" 0.0 | +"[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]{t^*}:[a]" + "" + "" | +"{t^*}[x0 t^]:[c]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" | +"[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" ->{0.001} "[x0]{t^*}:[x1 c t^]:[a t^]" + "" + "" | +"[x0]{t^*}:[x1 c t^]:[a t^]" + "" ->{0.001} "[x0 t^]:[x1 c t^]:[a t^]" + "" | +"[t^ x0]:[t^ c a]{t^*}:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]:[t^ a]" + "" | +"[x0]:[t^ x1]:[c]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" | +"[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" + "" + "" | +"{t^*}[x1 t^]:[c.1]:[a.2 t^]:[a.2]" + "" <->{0.001}{0.001} "[t^ x1]{t^*}:[c.1]:[a.2 t^]:[a.2]" + "" | +"[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" + "" ->{0.001} "[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" + "" + "" | +"[x1]{t^*}:[x2 c.1 t^]:[a.2 t^]" + "" ->{0.001} "[x1 t^]:[x2 c.1 t^]:[a.2 t^]" + "" | +"[t^ x1]:[t^ c.1 a.2]{t^*}:[a.2]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a.2]:[t^ a.2]" + "" | +"[x1]:[t^ x2]:[c.1]:[t^ a.2]{t^*}" + "" <->{0.001}{0.001} "[x1]:[t^ x2]:[c.1]{t^*}:[a.2 t^]" + "" | +"[t^ x2]{t^*}:[c.3]:[a.4 t^]:[a.4]" + "" ->{0.001} "[t^ x2]:[t^ c.3 a.4]{t^*}:[a.4]" + "" + "" | +"{t^*}[x2 t^]:[c.3]:[a.4 t^]:[a.4]" + "" <->{0.001}{0.001} "[t^ x2]{t^*}:[c.3]:[a.4 t^]:[a.4]" + "" | +"[x2]:[t^ x3]:[c.3]{t^*}:[a.4 t^]" + "" ->{0.001} "[x2]{t^*}:[x3 c.3 t^]:[a.4 t^]" + "" + "" | +"[x2]{t^*}:[x3 c.3 t^]:[a.4 t^]" + "" ->{0.001} "[x2 t^]:[x3 c.3 t^]:[a.4 t^]" + "" | +"[t^ x2]:[t^ c.3 a.4]{t^*}:[a.4]" + "" ->{0.001} "[t^ x2]:[t^ c.3 a.4]:[t^ a.4]" + "" | +"[x2]:[t^ x3]:[c.3]:[t^ a.4]{t^*}" + "" <->{0.001}{0.001} "[x2]:[t^ x3]:[c.3]{t^*}:[a.4 t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers.dna new file mode 100644 index 0000000..a548c0e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/3 Transducers.dna @@ -0,0 +1,49 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC (works for very large N) *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[20] and not NoReactiveGates@[20] +} + +(* Try to prove that a good state is reachable through BMC (works for very large N) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[20] and NoReactiveGates@[20] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c new a +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 new x3 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) | T(N, x2, x3) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit Errors.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit Errors.crn new file mode 100644 index 0000000..ea21e6d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit Errors.crn @@ -0,0 +1,36 @@ +directive sample 0.0,20000.0 1000 +directive plot "" +directive scale 10.0 +directive simulation deterministicstiff +directive parameters + [ N = 1.0 + ; ktb, (1E-05, 0.002), 0.0003, log, random + ; ktx, (1E-05, 0.002), 0.0003, log, random + ; kto, (1E-05, 0.002), 0.0003, log, random + ; T1, (3600.0, 8000.0), 3800.0, real, random + ; Leak, (0.0, 0.05), 0.001, real, random + ; Bad, (0.0, 0.3), 0.0, real, random ] +directive sweep s1 = + { N = [0.0, 0.2, 0.4, 0.6] } +directive fit {s1; JoinBX_AddB; [""] } +directive fit_run { burnin = 2000 + ; samples = 20000 + ; mle_burnin = 1000 + ; mle_samples = 1000 + ; thin = 10 + ; separatenoise = false } + +event "" ((N * (1.0 - Bad)) * 10.0) @ T1 | +init "" 0.0 | +init "" 30.0 | +init "{tb^*}[b tx^]:[x to^]" (30.0 * (1.0 - Leak)) | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" (30.0 * Leak) | +init "" 0.0 | +init "[x]{to^*}" 30.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"[tb^ b]{tx^*}:[x to^]" + "" <->{ktx}{kto} "[tb^ b]:[tx^ x]{to^*}" + "" | +"{tb^*}[b tx^]:[x to^]" + "" <->{ktb}{ktx} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{kto} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit Errors.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit Errors.dna new file mode 100644 index 0000000..d7f4c7e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit Errors.dna @@ -0,0 +1,44 @@ +directive duration 20000.0 points 1000 +directive plot Signal() +directive scale 10.0 +directive compilation infinite +directive simulation deterministicstiff +directive event N*(1.0-Bad)*10.0 @ T1 +directive parameters [ + N = 1.0; + ktb,(1.0e-5,2.0e-3),0.0003,log,random; + ktx,(1.0e-5,2.0e-3),0.0003,log,random; + kto,(1.0e-5,2.0e-3),0.0003,log,random; + T1,(3600.0,8000.0),3800.0,real,random; + Leak,(0.0,0.05),0.001,real,random; + Bad,(0.0,0.3),0.0,real,random +] + +(* Directives for parameter inference *) +(* Burn-in, runs, optimisation burn-in, optimisation of maximum likelihood,... *) +directive fit_run { burnin = 2000 + ; samples = 20000 + ; mle_burnin = 1000 + ; mle_samples = 1000 + ; thin = 10 } +directive fit { s1; JoinBX_AddB; } +directive sweep s1 = {N = [0.0,0.2,0.4,0.6]} + +def ut = 0.1 +new tb@ktb,ut +new tx@ktx,ut +new to@kto,ut + +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0.0*Input1() +| 30.0*Input2() +| 30.0*(1.0-Leak)*Join() +| 30.0*Leak*Output() +| 30.0*Reporter() +| 0.0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit.crn new file mode 100644 index 0000000..e87f4db --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit.crn @@ -0,0 +1,34 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive scale 10.0 +directive simulation deterministicstiff +directive parameters + [ N = 1.0 + ; ktb, (1E-05, 0.002), 0.0003, log, random + ; ktx, (1E-05, 0.002), 0.0003, log, random + ; kto, (1E-05, 0.002), 0.0003, log, random + ; T1, (3600.0, 8000.0), 3800.0, real, random ] +directive sweep s1 = + { N = [0.0, 0.2, 0.4, 0.6] } +directive fit {s1; JoinBX_AddB; [""] } +directive fit_run { burnin = 2000 + ; samples = 20000 + ; mle_burnin = 1000 + ; mle_samples = 1000 + ; thin = 10 + ; separatenoise = false } + +event "" (N * 10.0) @ T1 | +init "" 0.0 | +init "" 30.0 | +init "{tb^*}[b tx^]:[x to^]" 30.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]{to^*}" 30.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"[tb^ b]{tx^*}:[x to^]" + "" <->{ktx}{kto} "[tb^ b]:[tx^ x]{to^*}" + "" | +"{tb^*}[b tx^]:[x to^]" + "" <->{ktb}{ktx} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{kto} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit.dna new file mode 100644 index 0000000..86d44a4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Fit.dna @@ -0,0 +1,41 @@ +directive duration 18000.0 points 1000 +directive plot Signal() +directive scale 10.0 +directive compilation infinite +directive simulation deterministicstiff +directive event N*10.0 @ T1 +directive parameters [ + N = 1.0; + ktb,(1.0e-5,2.0e-3),0.0003,log,random; + ktx,(1.0e-5,2.0e-3),0.0003,log,random; + kto,(1.0e-5,2.0e-3),0.0003,log,random; + T1,(3600.0,8000.0),3800.0,real,random +] + +(* Directives for parameter inference *) +(* Burn-in, runs, optimisation burn-in, optimisation of maximum likelihood,... *) +directive fit_run { burnin = 2000 + ; samples = 20000 + ; mle_burnin = 1000 + ; mle_samples = 1000 + ; thin = 10 } +directive fit { s1; JoinBX_AddB; } +directive sweep s1 = {N = [0.0,0.2,0.4,0.6]} + +def ut = 0.1 +new tb@ktb,ut +new tx@ktx,ut +new to@kto,ut + +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0*Input1() +| 30*Input2() +| 30*Join() +| 30*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Reporter Z3.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Reporter Z3.crn new file mode 100644 index 0000000..df53006 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Reporter Z3.crn @@ -0,0 +1,48 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; ""; "" + +predicate out2 = { +"" = ""@[0.0] +} | +predicate out1 = { +"" = ""@[0.0] +} | +predicate min2 = { +"" >= "" +} | +predicate min1 = { +"" < "" +} | +predicate MinFn = { +min1 -> out1 and min2 -> out2 +} | +predicate Error = { +not MinFn +} | +query errorComputation = { +abstraction connected; + +Init@[0.0] and Terminal@[1.0] and ConservationOfMass@[1.0] and Error@[1.0] +} | +query correctComputation = { +abstraction stutter; + +Init@[0.0] and Terminal@[5.0] and ConservationOfMass@[5.0] and MinFn@[5.0] +} | +init "" 1.0 | +init "" 1.0 | +init "{tb^*}[b tx^]:[x to^]" 3.0 | +init "[tb^ b]:[tx^]:[x to^]" 0.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]:[to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]{to^*}" 3.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^]:[x to^]" | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^ x]:[to^]" | +"[tb^ b]:[tx^ x]:[to^]" <->{0.1126}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"[tb^ b]:[tx^]:[x to^]" <->{0.1126}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{0.0003} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Reporter Z3.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Reporter Z3.dna new file mode 100644 index 0000000..2c8200b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/AND Reporter Z3.dna @@ -0,0 +1,35 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Signal() +directive scale 1.0 + +directive predicates all + +predicate min1 = {Input1() < Input2()} (* Input1 is less than Input2 *) +predicate min2 = {Input1() >= Input2()} (* Input2 is less than or equal to Input1 *) +predicate out1 = {Signal() = Input1()@[0]} (* the amount of signal is equal to the initial Input1 *) +predicate out2 = {Signal() = Input2()@[0]} (* the amount of signal is equal to the initial Input2 *) +predicate MinFn = {min1 -> out1 and min2 -> out2} (* the signal is equal to the min input *) +predicate Error = {not MinFn} (* an error is encountered when the min is not computed *) + +query correctComputation = { + abstraction stutter; + Init@[0] and Terminal@[5] and ConservationOfMass@[5] and MinFn@[5] (* correct computation *) +} + +query errorComputation = { + abstraction connected; + Init@[0] and Terminal@[1] and ConservationOfMass@[1] and Error@[1] (* incorrect computation *) +} + +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 1*Input1() +| 1*Input2() +| 3*Join() +| 3*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Autocatalytic.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Autocatalytic.crn new file mode 100644 index 0000000..b25099f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Autocatalytic.crn @@ -0,0 +1,150 @@ +directive sample 0.0,72000.0 1000 +directive plot ""; "" +directive simulation deterministic +directive parameters + [ kint, (1E-05, 0.002), 3E-05, log, random + ; kextL, (1E-06, 0.002), 0.0001, log, random + ; kextR, (1E-06, 0.002), 0.0003, log, random + ; JoinOn = 0.0 + ; ForkOn = 0.0 + ; NRepJ = 0.0 + ; NRepF = 0.0 + ; NMi = 100.0 + ; NG = 30.0 + ; inB = 0.0 + ; inX = 0.0 + ; inH = 0.0 + ; inRepL = 0.0 + ; inRepR = 0.0 + ; inR = 0.0 + ; inH1 = 0.0 + ; inH2 = 0.0 + ; auto = 0.0 + ; leakJoinBX_B, (0.0, 0.05), 0.002, real, random + ; badJoinBX_B, (0.0, 0.3), 0.0, real, random + ; leakJoinBX_X, (0.0, 0.05), 0.01, real, random + ; badJoinBX_X, (0.0, 0.3), 0.2, real, random + ; leakJoinBX_H, (0.0, 0.05), 0.01, real, random + ; badJoinBX_H, (0.0, 0.3), 0.2, real, random + ; leakForkXX_R, (0.0, 0.05), 0.01, real, random + ; badForkXX_R, (0.0, 0.3), 0.2, real, random + ; leakForkXX_H1, (0.0, 0.05), 0.01, real, random + ; badForkXX_H1, (0.0, 0.3), 0.2, real, random + ; leakForkXX_H2, (0.0, 0.05), 0.01, real, random + ; badForkXX_H2, (0.0, 0.3), 0.2, real, random + ; badRepR, (0.0, 0.3), 0.2, real, random + ; badRepL, (0.0, 0.3), 0.2, real, random + ; T1, (7000.0, 8000.0), 7400.0, real, random + ; T1_Rep, (3600.0, 4000.0), 3800.0, real, random + ; N = 0.6 ] +directive sweep sweepBX2X = + { N = [0.0, 0.1, 0.3, 1.0] + , auto = [1.0] + , NRepF = [150.0] + , JoinOn = [1.0] + , ForkOn = [1.0] + , NG = [75.0] } +directive sweep sweepRepL = + { N = [0.2, 0.4, 0.6, 0.8] + , inRepL = [1.0] + , NRepF = [30.0] } +directive sweep sweepFork_AddH2 = + { N = [0.0, 0.2, 0.4, 0.6] + , inH2 = [1.0] + , ForkOn = [1.0] + , NRepF = [30.0] } +directive sweep sweepFork_AddH1 = + { N = [0.0, 0.2, 0.4, 0.6] + , inH1 = [1.0] + , ForkOn = [1.0] + , NRepF = [30.0] } +directive sweep sweepFork_AddR = + { N = [0.0, 0.2, 0.4, 0.6] + , inR = [1.0] + , ForkOn = [1.0] + , NRepF = [30.0] } +directive sweep sweepRepR = + { N = [0.2, 0.4, 0.6, 0.8] + , inRepR = [1.0] + , NRepJ = [30.0] } +directive sweep sweepJoin_AddH = + { N = [0.0, 0.2, 0.4, 0.6] + , inH = [1.0] + , JoinOn = [1.0] + , NRepJ = [30.0] } +directive sweep sweepJoin_AddX = + { N = [0.0, 0.2, 0.4, 0.6] + , inX = [1.0] + , JoinOn = [1.0] + , NRepJ = [30.0] } +directive sweep sweepJoin_AddB = + { N = [0.0, 0.2, 0.4, 0.6] + , inB = [1.0] + , JoinOn = [1.0] + , NRepJ = [30.0] } +directive fit {sweepJoin_AddB; JoinBX_AddB; [""] } +directive fit {sweepJoin_AddX; JoinBX_AddX; [""] } +directive fit {sweepJoin_AddH; JoinBX_AddH; [""] } +directive fit {sweepRepR; Rep_rbxu1; [""] } +directive fit {sweepFork_AddR; ForkXX_AddR; [""] } +directive fit {sweepFork_AddH1; ForkXX_AddH1; [""] } +directive fit {sweepFork_AddH2; ForkXX_AddH2; [""] } +directive fit {sweepRepL; Rep_u3px; [""] } +directive fit {sweepBX2X; AutoCatBX; [""] } +directive fit_run { burnin = 5000 + ; samples = 50000 + ; mle_burnin = 2000 + ; mle_samples = 2000 + ; thin = 10 + ; separatenoise = false } + +event "" (((inRepL * 4.0) * N) * (1.0 - badRepL)) @ T1_Rep | +event "" (((inH2 * 10.0) * N) * (1.0 - badForkXX_H2)) @ T1 | +event "" (((inH1 * 10.0) * N) * (1.0 - badForkXX_H1)) @ T1 | +event "" (((inR * 10.0) * N) * (1.0 - badForkXX_R)) @ T1 | +event "" (((inRepR * 4.0) * N) * (1.0 - badRepR)) @ T1_Rep | +event "" (((inH * 10.0) * N) * (1.0 - badJoinBX_H)) @ T1 | +event "" (((inX * 10.0) * N) * (1.0 - badJoinBX_X)) @ T1 | +event "" (((inB * 10.0) * N) * (1.0 - badJoinBX_B)) @ T1 | +event "" ((auto * NG) * leakJoinBX_B) @ T1_Rep | +event "" (((auto * 50.0) * N) * (1.0 - badJoinBX_X)) @ T1_Rep | +event "" ((auto * 50.0) * (1.0 - badJoinBX_B)) @ T1_Rep | +init "" (JoinOn * (((1.0 - auto) * (1.0 - inX)) * NMi)) | +init "[ig]:[tx^ x]:[u3^ px]:[tx^ x]:[u2^ rbx]{u1^*}" (ForkOn * (NG * (1.0 - (((inR * leakForkXX_R) + (inH1 * leakForkXX_H1)) + (inH2 * leakForkXX_H2))))) | +init "" (JoinOn * ((1.0 - inH) * NMi)) | +init "" (ForkOn * ((1.0 - inH1) * NMi)) | +init "" (ForkOn * ((1.0 - inH2) * NMi)) | +init "" (ForkOn * NMi) | +init "" (ForkOn * NMi) | +init "" (JoinOn * (((1.0 - auto) * (1.0 - inB)) * NMi)) | +init "{tb^*}[b tx^]:[x trbx^]:[rbx u1^]" (JoinOn * (NG * (1.0 - (((inB * leakJoinBX_B) + (inX * leakJoinBX_X)) + (inH * leakJoinBX_H))))) | +init "[tb^ b]{tx^*}:[x trbx^]:[rbx u1^]" 0.0 | +init "[tb^ b]:[tx^ x]{trbx^*}:[rbx u1^]" 0.0 | +init "[tb^ b]:[tx^ x]:[trbx^ rbx]{u1^*}" 0.0 | +init "" ((ForkOn * (((1.0 - auto) * (1.0 - inR)) * NMi)) + (JoinOn * (NG * (((inB * leakJoinBX_B) + (inX * leakJoinBX_X)) + (inH * leakJoinBX_H))))) | +init "[ig]:[tx^ x]:[u3^ px]:[tx^ x]{u2^*}:[rbx u1^]" 0.0 | +init "[ig]:[tx^ x]:[u3^ px]{tx^*}:[x u2^]:[rbx u1^]" 0.0 | +init "[ig]:[tx^ x]{u3^*}:[px tx^]:[x u2^]:[rbx u1^]" 0.0 | +init "[ig]{tx^*}:[x u3^]:[px tx^]:[x u2^]:[rbx u1^]" 0.0 | +init "[ig tx^]:[x u3^]:[px tx^]:[x u2^]:[rbx u1^]" 0.0 | +init "" 0.0 | +init "" (ForkOn * (NG * (((inR * leakForkXX_R) + (inH1 * leakForkXX_H1)) + (inH2 * leakForkXX_H2)))) | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u3^*}[px]" NRepF | +init "[u3^ px]" 0.0 | +init "" 0.0 | +init "[rbx]{u1^*}" NRepJ | +init "[rbx u1^]" 0.0 | +init "" 0.0 | +"[tb^ b]:[tx^ x]{trbx^*}:[rbx u1^]" + "" <->{kint}{kextR} "[tb^ b]:[tx^ x]:[trbx^ rbx]{u1^*}" + "" | +"[ig]:[tx^ x]:[u3^ px]:[tx^ x]{u2^*}:[rbx u1^]" + "" <->{kint}{kint} "[ig]:[tx^ x]:[u3^ px]{tx^*}:[x u2^]:[rbx u1^]" + "" | +"[ig]:[tx^ x]{u3^*}:[px tx^]:[x u2^]:[rbx u1^]" + "" <->{kint}{kint} "[ig]{tx^*}:[x u3^]:[px tx^]:[x u2^]:[rbx u1^]" + "" | +"[ig]{tx^*}:[x u3^]:[px tx^]:[x u2^]:[rbx u1^]" + "" ->{kint} "[ig tx^]:[x u3^]:[px tx^]:[x u2^]:[rbx u1^]" + "" | +"[ig]:[tx^ x]:[u3^ px]{tx^*}:[x u2^]:[rbx u1^]" + "" <->{kint}{kint} "[ig]:[tx^ x]{u3^*}:[px tx^]:[x u2^]:[rbx u1^]" + "" | +"[ig]:[tx^ x]:[u3^ px]:[tx^ x]:[u2^ rbx]{u1^*}" + "" <->{kextR}{kint} "[ig]:[tx^ x]:[u3^ px]:[tx^ x]{u2^*}:[rbx u1^]" + "" | +"[tb^ b]{tx^*}:[x trbx^]:[rbx u1^]" + "" <->{kint}{kint} "[tb^ b]:[tx^ x]{trbx^*}:[rbx u1^]" + "" | +"{tb^*}[b tx^]:[x trbx^]:[rbx u1^]" + "" <->{kextL}{kint} "[tb^ b]{tx^*}:[x trbx^]:[rbx u1^]" + "" | +"{u3^*}[px]" + "" ->{kint} "[u3^ px]" + "" | +"[rbx]{u1^*}" + "" ->{kextR} "[rbx u1^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Autocatalytic.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Autocatalytic.dna new file mode 100644 index 0000000..ce8aa31 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Autocatalytic.dna @@ -0,0 +1,124 @@ +directive sample 72000.0 1000 +directive compilation infinite +directive simulation deterministic +directive time s +directive concentration nM +directive plot <_ fl^>; + +directive event auto*50.0*(1.0-badJoinBX_B) @ T1_Rep +directive event auto*50.0*N*(1.0-badJoinBX_X) @ T1_Rep +directive event auto*NG*leakJoinBX_B @ T1_Rep +directive event inB*10.0*N * (1.0-badJoinBX_B) @ T1 +directive event inX*10.0*N * (1.0-badJoinBX_X) @ T1 +directive event inH * 10.0 * N * (1.0-badJoinBX_H) @ T1 +directive event inRepR * 4.0 * N * (1.0-badRepR) @ T1_Rep +directive event inR * 10.0 * N * (1.0-badForkXX_R) @ T1 +directive event inH1 * 10.0 * N * (1.0-badForkXX_H1) @ T1 +directive event inH2 * 10.0 * N * (1.0-badForkXX_H2) @ T1 +directive event inRepL * 4.0 * N * (1.0-badRepL) @ T1_Rep +directive parameters [ +kint,(1.0e-5,2.0e-3),0.00003,log,random; +kextL,(1.0e-6,2.0e-3),0.0001,log,random; +kextR,(1.0e-6,2.0e-3),0.0003,log,random; + +JoinOn = 0.0; ForkOn = 0.0; NRepJ = 0.0; NRepF = 0.0; NMi = 100.0; NG = 30.0; +inB = 0.0; inX = 0.0; inH = 0.0; inRepL = 0.0; inRepR = 0.0; +inR = 0.0; inH1 = 0.0; inH2 = 0.0; auto = 0.0; + +leakJoinBX_B,(0.0,0.05),0.002,real,random; +badJoinBX_B,(0.0,0.3),0.0,real,random; +leakJoinBX_X,(0.0,0.05),0.01,real,random; +badJoinBX_X,(0.0,0.3),0.2,real,random; +leakJoinBX_H,(0.0,0.05),0.01,real,random; +badJoinBX_H,(0.0,0.3),0.2,real,random; +leakForkXX_R,(0.0,0.05),0.01,real,random; +badForkXX_R,(0.0,0.3),0.2,real,random; +leakForkXX_H1,(0.0,0.05),0.01,real,random; +badForkXX_H1,(0.0,0.3),0.2,real,random; +leakForkXX_H2,(0.0,0.05),0.01,real,random; +badForkXX_H2,(0.0,0.3),0.2,real,random; +badRepR,(0.0,0.3),0.2,real,random; +badRepL,(0.0,0.3),0.2,real,random; + +T1,(7000.0,8000.0),7400.0,real,random; +T1_Rep,(3600.0,4000.0),3800.0,real,random; +N,(0.0,1.0),0.6,real,fixed +] + +(* Directives for parameter inference *) +directive fit_run { burnin = 5000 + ; samples = 50000 + ; mle_burnin = 2000 + ; mle_samples = 2000 + ; thin = 10 } +directive sweep sweepJoin_AddB = { N = [0.0,0.2,0.4,0.6], inB = [1.0], JoinOn = [1.0], NRepJ = [30.0] } +directive fit { sweepJoin_AddB; JoinBX_AddB; } +directive sweep sweepJoin_AddX = { N = [0.0,0.2,0.4,0.6], inX = [1.0], JoinOn = [1.0], NRepJ = [30.0] } +directive fit { sweepJoin_AddX; JoinBX_AddX; } +directive sweep sweepJoin_AddH = { N = [0.0,0.2,0.4,0.6], inH = [1.0], JoinOn = [1.0], NRepJ = [30.0] } +directive fit { sweepJoin_AddH; JoinBX_AddH; } +directive sweep sweepRepR = { N = [0.2,0.4,0.6,0.8], inRepR = [1.0], NRepJ = [30.0] } +directive fit { sweepRepR; Rep_rbxu1; } +directive sweep sweepFork_AddR = { N = [0.0,0.2,0.4,0.6], inR = [1.0], ForkOn = [1.0], NRepF = [30.0] } +directive fit { sweepFork_AddR; ForkXX_AddR; } +directive sweep sweepFork_AddH1 = { N = [0.0,0.2,0.4,0.6], inH1 = [1.0], ForkOn = [1.0], NRepF = [30.0] } +directive fit { sweepFork_AddH1; ForkXX_AddH1; } +directive sweep sweepFork_AddH2 = { N = [0.0,0.2,0.4,0.6], inH2 = [1.0], ForkOn = [1.0], NRepF = [30.0] } +directive fit { sweepFork_AddH2; ForkXX_AddH2; } +directive sweep sweepRepL = { N = [0.2,0.4,0.6,0.8], inRepL = [1.0], NRepF = [30.0] } +directive fit { sweepRepL; Rep_u3px; } +directive sweep sweepBX2X = { N = [0.0, 0.1, 0.3, 1.0], auto = [1.0], NRepF = [150.0], JoinOn = [1.0], ForkOn = [1.0], NG = [75.0] } +directive fit { sweepBX2X; AutoCatBX; } + +new fl@0.0,0.0 +new tb@kextL,0.0 +new tx@kint,0.0 +new trbx@kint,0.0 +new u1@kextR,0.0 +new u2@kint,0.0 +new u3@kint,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Translator(x,tx) = +def Signal(c,fl) = +def Rep(tx,x) = {tx^*}[x] +def InputR(h,th) = +def CatalystR(h,th) = +def HelperR(r,tr) = +def Output(tz,z) = +def SignalR(fl,c) = +def RepR(x,tx) = [x]{tx^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Fork_ABC(i,tc,c,tb,b,ta,a,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[ta^ a]:[tr^ r]{tq^*} + +def Join(NA,NB,NH,NG,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) ) +def Fork(NHA,NHB,NHC,NHD,NHI,NG,Leak,i,tc,c,tb,b,ta,a,tr,r,tq) = +( NG*(1.0-Leak) * Fork_ABC(i,tc,c,tb,b,ta,a,tr,r,tq) +| NG*Leak * Output(tb,b) +| NHA * Translator(r,tq) +| NHB * HelperR(a,tr) +| NHC * HelperR(b,ta) +| NHD * HelperR(c,tb) +| NHI * HelperR(i,tc) ) + +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * RepR(r,tq) +| 0 * SignalR(fl,r) ) +def RepFork(N,NR,tc,c) = +( N * Output(tc,c) +| NR * Rep(tc,c) +| 0 * Signal(c,fl) ) + +( RepJoin(0.0,NRepJ,rbx,u1) +| RepFork(0.0,NRepF,u3,px) +| JoinOn * Join((1.0-auto)*(1.0-inB)*NMi,(1.0-auto)*(1.0-inX)*NMi,(1.0-inH)*NMi,NG,inB*leakJoinBX_B+inX*leakJoinBX_X+inH*leakJoinBX_H,tb,b,tx,x,trbx,rbx,u1) +| ForkOn * Fork((1.0-auto)*(1.0-inR)*NMi,(1.0-inH1)*NMi,(1.0-inH2)*NMi,NMi,NMi,NG,inR*leakForkXX_R+inH1*leakForkXX_H1+inH2*leakForkXX_H2,ig,tx,x,u3,px,tx,x,u2,rbx,u1) +) diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Circuits.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Circuits.crn new file mode 100644 index 0000000..1032e33 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Circuits.crn @@ -0,0 +1,44 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation deterministic +directive parameters + [ kt, (1E-05, 0.002), 0.0001, log, random + ; ku1, (1E-06, 0.002), 0.0001, log, random + ; ut = 0.0 + ; Xi = 10.0 + ; NGi = 30.0 + ; NHi = 30.0 + ; NRi = 30.0 + ; NMi = 100.0 + ; leakJoinBX_B, (0.0, 0.1), 0.01, real, random + ; badJoinBX_B, (0.0, 0.3), 0.2, real, random + ; T1, (7000.0, 8000.0), 7400.0, real, random + ; N = 0.6 ] +directive sweep input = + { N = [0.0, 0.2, 0.4, 0.6] } +directive fit {input; JoinBX_AddB; [""] } +directive fit_run { burnin = 500 + ; samples = 500 + ; mle_burnin = 100 + ; mle_samples = 100 + ; thin = 10 + ; separatenoise = false } + +event "" ((10.0 * N) * (1.0 - badJoinBX_B)) @ T1 | +init "" NMi | +init "" 0.0 | +init "" NMi | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b t^]:[x t^]:[rbx u1^]" (NGi * (1.0 - leakJoinBX_B)) | +init "[t^ b]{t^*}:[x t^]:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]{t^*}:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" 0.0 | +init "" (NGi * leakJoinBX_B) | +init "[rbx]{u1^*}" NRi | +init "[rbx u1^]" 0.0 | +init "" 0.0 | +"{t^*}[b t^]:[x t^]:[rbx u1^]" + "" <->{kt}{kt} "[t^ b]{t^*}:[x t^]:[rbx u1^]" + "" | +"[t^ b]{t^*}:[x t^]:[rbx u1^]" + "" <->{kt}{kt} "[t^ b]:[t^ x]{t^*}:[rbx u1^]" + "" | +"[t^ b]:[t^ x]{t^*}:[rbx u1^]" + "" <->{kt}{ku1} "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" + "" | +"[rbx]{u1^*}" + "" ->{ku1} "[rbx u1^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Circuits.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Circuits.dna new file mode 100644 index 0000000..3effe0b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Circuits.dna @@ -0,0 +1,61 @@ +directive sample 18000.0 1000 +directive compilation infinite +directive simulation deterministic +directive declare +directive time s +directive concentration nM +directive plot <_ fl^>; +directive event 10.0 * N * (1.0-badJoinBX_B) @ T1 +directive parameters [ + kt,(1.0e-5,2.0e-3),0.0001,log,random; + ku1,(1.0e-6,2.0e-3),0.0001,log,random; + ut,(0.0,0.0),0.0,real,fixed; + Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; + + leakJoinBX_B,(0.0,0.1),0.01,real,random; + badJoinBX_B,(0.0,0.3),0.20,real,random; + T1,(7000.0,8000.0),7400.0,real,random; + N,(0.0,1.0),0.6,real,fixed +] +directive sweep input = { N = [0.0,0.2,0.4,0.6] } +directive fit_run { burnin = 500 + ; samples = 500 + ; mle_burnin = 100 + ; mle_samples = 100 + ; thin = 10 } +directive fit {input; JoinBX_AddB; } + +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Translator(x,tx) = +def InputR(h,th) = +def CatalystR(h,th) = +def SignalR(fl,c) = +def RepR(x,tx) = [x]{tx^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] + +def Join(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) ) +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * RepR(r,tq) +| 0 * SignalR(fl,r) ) + +dom t = {seq = CTGATC; bind=kt; unbind=ut} +dom u1 = {seq = CTTCAG; bind=ku1; unbind=ut} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} + +( RepJoin(0.0,NRi,rbx,u1) +| Join(0.0,NMi,NMi,NGi,0.0,leakJoinBX_B,t,b,t,x,t,rbx,u1) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Hairpin-Free HCR.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Hairpin-Free HCR.crn new file mode 100644 index 0000000..599d41d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Hairpin-Free HCR.crn @@ -0,0 +1,10 @@ +directive sample 0.0,10000.0 1000 +directive simulation jit + +init "" 1.0 | +init "{t^*}[a u^]{b*}" 3.0 | +init "[a]{u^*}" 1000.0 | +init "[b]" 1000.0 | +init "[b t^]" 3.0 | +init "[t^ a]:[u^]{b*}" 0.0 | +"{t^*}[a u^]{b*}" + "" ->{0.0003} "[t^ a]:[u^]{b*}" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Hairpin-Free HCR.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Hairpin-Free HCR.dna new file mode 100644 index 0000000..f53f210 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Hairpin-Free HCR.dna @@ -0,0 +1,13 @@ + directive duration 10000.0 + directive simulation jit + directive polymers + def XS = 1000 + def N = 3 + + ( (* Initiator *) +| N * {t^*}[a u^]{b*} (* Monomer 1 *) +| XS * [a]{u^*} (* Collector 1 *) +| XS * [b] (* Collector 2 *) +| N * [b t^] (* Monomer 2 *) +(*|{u^* b*} (* Initiator 2 *)*) +) diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Join Reporter.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Join Reporter.crn new file mode 100644 index 0000000..8241637 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Join Reporter.crn @@ -0,0 +1,64 @@ +directive sample 0.0,20000.0 1000 +directive plot "" +directive simulation deterministic +directive parameters + [ kint, (1E-05, 0.001), 3E-05, log, random + ; kextL, (1E-05, 0.001), 0.0001, log, random + ; kextR, (1E-05, 0.001), 0.0003, log, random + ; JoinOn = 0.0 + ; ForkOn = 0.0 + ; NRepJ = 0.0 + ; NRepF = 0.0 + ; NMi = 100.0 + ; NG = 30.0 + ; inB = 0.0 + ; inX = 0.0 + ; inH = 0.0 + ; inRepL = 0.0 + ; inRepR = 0.0 + ; inR = 0.0 + ; inH1 = 0.0 + ; inH2 = 0.0 + ; leakJoinBX_B, (0.0, 0.05), 0.001, real, random + ; badJoinBX_B, (0.0, 0.3), 0.0, real, random + ; badRepR, (0.0, 0.3), 0.2, real, random + ; T1, (7000.0, 8000.0), 7400.0, real, random + ; T1_Rep, (3600.0, 4000.0), 3800.0, real, random + ; N = 0.6 ] +directive sweep sweepRepR = + { N = [0.2, 0.4, 0.6, 0.8] + , inRepR = [1.0] + , NRepJ = [30.0] } +directive sweep sweepJoin_AddB = + { N = [0.0, 0.2, 0.4, 0.6] + , inB = [1.0] + , JoinOn = [1.0] + , NRepJ = [30.0] } +directive fit {sweepJoin_AddB; JoinBX_AddB; [""] } +directive fit {sweepRepR; Rep_rbxu1; [""] } +directive fit_run { burnin = 5000 + ; samples = 20000 + ; mle_burnin = 100 + ; mle_samples = 100 + ; thin = 5 + ; separatenoise = false } + +event "" (((inRepR * 4.0) * N) * (1.0 - badRepR)) @ T1_Rep | +event "" (((inB * 10.0) * N) * (1.0 - badJoinBX_B)) @ T1 | +init "" (JoinOn * ((1.0 - inX) * NMi)) | +init "" (JoinOn * ((1.0 - inH) * NMi)) | +init "" (JoinOn * ((1.0 - inB) * NMi)) | +init "{tb^*}[b tx^]:[x trbx^]:[rbx u1^]" (JoinOn * (NG * (1.0 - (inB * leakJoinBX_B)))) | +init "[tb^ b]{tx^*}:[x trbx^]:[rbx u1^]" 0.0 | +init "[tb^ b]:[tx^ x]{trbx^*}:[rbx u1^]" 0.0 | +init "[tb^ b]:[tx^ x]:[trbx^ rbx]{u1^*}" 0.0 | +init "" (JoinOn * (NG * (inB * leakJoinBX_B))) | +init "" 0.0 | +init "" 0.0 | +init "[rbx]{u1^*}" NRepJ | +init "[rbx u1^]" 0.0 | +init "" 0.0 | +"[tb^ b]:[tx^ x]{trbx^*}:[rbx u1^]" + "" <->{kint}{kextR} "[tb^ b]:[tx^ x]:[trbx^ rbx]{u1^*}" + "" | +"[tb^ b]{tx^*}:[x trbx^]:[rbx u1^]" + "" <->{kint}{kint} "[tb^ b]:[tx^ x]{trbx^*}:[rbx u1^]" + "" | +"{tb^*}[b tx^]:[x trbx^]:[rbx u1^]" + "" <->{kextL}{kint} "[tb^ b]{tx^*}:[x trbx^]:[rbx u1^]" + "" | +"[rbx]{u1^*}" + "" ->{kextR} "[rbx u1^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Join Reporter.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Join Reporter.dna new file mode 100644 index 0000000..0f7be4c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Join Reporter.dna @@ -0,0 +1,79 @@ +directive sample 20000.0 1000 +directive compilation infinite +directive simulation deterministic +directive time s +directive concentration nM +directive plot <_ fl^>; + +directive event inB * 10.0 * N * (1.0-badJoinBX_B) @ T1 +directive event inRepR * 4.0 * N * (1.0-badRepR) @ T1_Rep + +directive parameters [ +kint,(1.0e-5,1.0e-3),0.00003,log,random; +kextL,(1.0e-5,1.0e-3),0.0001,log,random; +kextR,(1.0e-5,1.0e-3),0.0003,log,random; + +JoinOn = 0.0; ForkOn = 0.0; NRepJ = 0.0; NRepF = 0.0; NMi = 100.0; NG = 30.0; +inB = 0.0; inX = 0.0; inH = 0.0; inRepL = 0.0; inRepR = 0.0; +inR = 0.0; inH1 = 0.0; inH2 = 0.0; + +leakJoinBX_B,(0.0,0.05),0.001,real,random; +badJoinBX_B,(0.0,0.3),0.0,real,random; +badRepR,(0.0,0.3),0.2,real,random; + +T1,(7000.0,8000.0),7400.0,real,random; +T1_Rep,(3600.0,4000.0),3800.0,real,random; +N,(0.0,1.0),0.6,real,fixed +] + +(* Directives for parameter inference *) +directive fit_run { burnin = 5000 + ; samples = 20000 + ; mle_burnin = 100 + ; mle_samples = 100 + ; thin = 5 } +directive sweep sweepJoin_AddB = { N = [0.0,0.2,0.4,0.6], inB = [1.0], JoinOn = [1.0], NRepJ = [30.0] } +directive fit { sweepJoin_AddB; JoinBX_AddB; } +directive sweep sweepRepR = { N = [0.2,0.4,0.6,0.8], inRepR = [1.0], NRepJ = [30.0] } +directive fit { sweepRepR; Rep_rbxu1; } + +new fl@0.0,0.0 +new tb@kextL,0.0 +new tx@kint,0.0 +new trbx@kint,0.0 +new u1@kextR,0.0 +new u2@kint,0.0 +new u3@kint,0.0 +new tF2@kint,0.0 +new tF4@kint,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Translator(x,tx) = +def Signal(c,fl) = +def Rep(tx,x) = {tx^*}[x] +def InputR(h,th) = +def CatalystR(h,th) = +def HelperR(r,tr) = +def Output(tz,z) = +def SignalR(fl,c) = +def RepR(x,tx) = [x]{tx^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Fork_ABC(i,tc,c,tb,b,ta,a,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[ta^ a]:[tr^ r]{tq^*} + +def Join(NA,NB,NH,NG,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) ) + +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * RepR(r,tq) +| 0 * SignalR(fl,r) ) + +( RepJoin(0.0,NRepJ,rbx,u1) +| JoinOn * Join((1.0-inB)*NMi,(1.0-inX)*NMi,(1.0-inH)*NMi,NG,inB*leakJoinBX_B,tb,b,tx,x,trbx,rbx,u1) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Monomers.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Monomers.crn new file mode 100644 index 0000000..b4aee0d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Monomers.crn @@ -0,0 +1,7 @@ +directive sample 0.0,1000.0 100 +directive simulation jit + +init "{t^*}[x]:[y]" 5.0 | +init "{t^*}[x]:[y]::[t^ x]:[y]" 0.0 | +init "" 0.0 | +2"{t^*}[x]:[y]" ->{0.0006} "{t^*}[x]:[y]::[t^ x]:[y]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Monomers.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Monomers.dna new file mode 100644 index 0000000..c8514ac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Monomers.dna @@ -0,0 +1,5 @@ +(* Example of the JIT state space expansion with a 5-monomer self-assembling chain. *) +directive duration 1000.0 points 100 +directive simulation jit +directive polymers +( 5 * {t^*}:[x]:[y]:: ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Reporter.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Reporter.crn new file mode 100644 index 0000000..c6b4d88 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Reporter.crn @@ -0,0 +1,23 @@ +directive sample 3000.0,8000.0 1000 +directive simulation deterministic +directive parameters + [ k, (1E-05, 0.002), 0.0003, log, random + ; bad, (0.0, 0.3), 0.2, real, random + ; T1, (3600.0, 4000.0), 3800.0, real, random + ; N = 0.6 ] +directive sweep sweepRepR = + { N = [0.2, 0.4, 0.6, 0.8] } +directive fit {sweepRepR; Rep_rbxu1; [""] } +directive fit_run { burnin = 2000 + ; samples = 20000 + ; mle_burnin = 1000 + ; mle_samples = 1000 + ; thin = 10 + ; separatenoise = false } + +event "" ((4.0 * N) * (1.0 - bad)) @ T1 | +init "" 0.0 | +init "" 0.0 | +init "[rbx]{u1^*}" 30.0 | +init "[rbx u1^]" 0.0 | +"[rbx]{u1^*}" + "" ->{k} "[rbx u1^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Reporter.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Reporter.dna new file mode 100644 index 0000000..6b42d24 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Reporter.dna @@ -0,0 +1,27 @@ +directive sample 3000.0,8000.0 1000 +directive compilation infinite +directive simulation deterministic + +directive event 4.0 * N * (1.0-bad) @ T1 +directive parameters [ + k,(1.0e-5,2.0e-3),0.0003,log,random; + bad,(0.0,0.3),0.2,real,random; + T1,(3600.0,4000.0),3800.0,real,random; + N,(0.0,1.0),0.6,real,fixed +] + +(* Directives for parameter inference *) +directive fit_run { burnin = 2000 + ; samples = 20000 + ; mle_burnin = 1000 + ; mle_samples = 1000 + ; thin = 10 } +directive sweep sweepRepR = { N = [0.2,0.4,0.6,0.8] } +directive fit { sweepRepR; Rep_rbxu1; } + +new fl@0.0,0.0 +new u1@k,0.0 + +( 0.0 * +| 0.0 * +| 30.0 * [rbx]{u1^*} ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Restriction.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Restriction.crn new file mode 100644 index 0000000..7ef7b57 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Restriction.crn @@ -0,0 +1,67 @@ +directive sample 0.0,50000.0 1000 +directive plot ""; "" +directive simulation deterministic +directive parameters + [ kt, (1E-05, 0.002), 0.0001, log, random + ; ku1, (1E-06, 0.002), 0.0001, log, random + ; ut = 0.0 + ; Xi = 10.0 + ; NGi = 30.0 + ; NHi = 30.0 + ; NRi = 30.0 + ; NMi = 100.0 + ; leakJoinBX_B, (0.0, 0.2), 0.01, real, random + ; badJoinBX_B, (0.0, 0.5), 0.2, real, random + ; leakJoinBX_X, (0.0, 0.2), 0.01, real, random + ; badJoinBX_X, (0.0, 0.5), 0.2, real, random + ; T1, (7000.0, 8000.0), 7200.0, real, random + ; T2, (7000.0, 8000.0), 7200.0, real, random + ; N = 0.6 ] +directive sweep input = + { N = [0.0, 0.2, 0.4, 0.6] } +directive fit {input; JoinBX_AddB; [""] } +directive fit {input; JoinBX_AddX; [""] } +directive fit_run { burnin = 500 + ; samples = 500 + ; mle_burnin = 100 + ; mle_samples = 100 + ; thin = 10 + ; separatenoise = false } +directive plotwindow 0.0 20000.0 0.0 7.0 + +event "" ((Xi * N) * (1.0 - badJoinBX_X)) @ T2 | +event "" ((Xi * N) * (1.0 - badJoinBX_B)) @ T1 | +init "" NMi | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" NMi | +init "" NMi | +init "" 0.0 | +init "" NMi | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b t^]:[x t^]:[rbx u1^]" (NGi * (1.0 - leakJoinBX_B)) | +init "[t^ b]{t^*}:[x t^]:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]{t^*}:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" 0.0 | +init "" (NGi * leakJoinBX_B) | +init "{t2^*}[b2 t2^]:[x2 t2^]:[rbx2 u12^]" (NGi * (1.0 - leakJoinBX_X)) | +init "[t2^ b2]{t2^*}:[x2 t2^]:[rbx2 u12^]" 0.0 | +init "[t2^ b2]:[t2^ x2]{t2^*}:[rbx2 u12^]" 0.0 | +init "[t2^ b2]:[t2^ x2]:[t2^ rbx2]{u12^*}" 0.0 | +init "" (NGi * leakJoinBX_X) | +init "[rbx]{u1^*}" NRi | +init "[rbx u1^]" 0.0 | +init "" 0.0 | +init "[rbx2]{u12^*}" NRi | +init "[rbx2 u12^]" 0.0 | +init "" 0.0 | +"{t^*}[b t^]:[x t^]:[rbx u1^]" + "" <->{kt}{kt} "[t^ b]{t^*}:[x t^]:[rbx u1^]" + "" | +"[t^ b]{t^*}:[x t^]:[rbx u1^]" + "" <->{kt}{kt} "[t^ b]:[t^ x]{t^*}:[rbx u1^]" + "" | +"[t^ b]:[t^ x]{t^*}:[rbx u1^]" + "" <->{kt}{ku1} "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" + "" | +"{t2^*}[b2 t2^]:[x2 t2^]:[rbx2 u12^]" + "" <->{kt}{kt} "[t2^ b2]{t2^*}:[x2 t2^]:[rbx2 u12^]" + "" | +"[t2^ b2]{t2^*}:[x2 t2^]:[rbx2 u12^]" + "" <->{kt}{kt} "[t2^ b2]:[t2^ x2]{t2^*}:[rbx2 u12^]" + "" | +"[t2^ b2]:[t2^ x2]{t2^*}:[rbx2 u12^]" + "" <->{kt}{ku1} "[t2^ b2]:[t2^ x2]:[t2^ rbx2]{u12^*}" + "" | +"[rbx]{u1^*}" + "" ->{ku1} "[rbx u1^]" + "" | +"[rbx2]{u12^*}" + "" ->{ku1} "[rbx2 u12^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Restriction.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Restriction.dna new file mode 100644 index 0000000..deb2775 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Restriction.dna @@ -0,0 +1,72 @@ +directive sample 50000.0 1000 +directive compilation infinite +directive simulation deterministic +directive declare +directive time s +directive concentration nM +directive plot <_ fl^>; +directive plotwindow 0.0 20000.0 0.0 7.0 + +directive event Xi * N * (1.0-badJoinBX_B) @ T1 +directive event Xi * N * (1.0-badJoinBX_X) @ T2 +directive parameters [ + kt,(1.0e-5,2.0e-3),0.0001,log,random; + ku1,(1.0e-6,2.0e-3),0.0001,log,random; + ut,(0.0,0.0),0.0,real,fixed; + Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; + + leakJoinBX_B,(0.0,0.2),0.01,real,random; + badJoinBX_B,(0.0,0.5),0.20,real,random; + leakJoinBX_X,(0.0,0.2),0.01,real,random; + badJoinBX_X,(0.0,0.5),0.20,real,random; + T1,(7000.0,8000.0),7200.0,real,random; + T2,(7000.0,8000.0),7200.0,real,random; + N,(0.0,1.0),0.6,real,fixed +] +directive sweep input = { N = [0.0,0.2,0.4,0.6] } +directive fit_run { burnin = 500 + ; samples = 500 + ; mle_burnin = 100 + ; mle_samples = 100 + ; thin = 10 } +directive fit {input; JoinBX_AddB; } +directive fit {input; JoinBX_AddX; } + +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Translator(x,tx) = +def InputR(h,th) = +def CatalystR(h,th) = +def SignalR(fl,c) = +def RepR(x,tx) = [x]{tx^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] + +def Join(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) ) + +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * RepR(r,tq) +| 0 * SignalR(fl,r) ) + +new x new y new b new rbx new t@kt,ut new u1@ku1,ut +def RepJoinBX(NR) = RepJoin(0.0,NR,rbx,u1) +def JoinBX(NB,NX,NH,NG,Leak) = Join(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) + +new x2 new y2 new b2 new rbx2 new t2@kt,ut new u12@ku1,ut +def RepJoinBX2(NR) = RepJoin(0.0,NR,rbx2,u12) +def JoinBX2(NB,NX,NH,NG,Leak) = Join(NB,NX,NH,NG,0.0,Leak,t2,b2,t2,x2,t2,rbx2,u12) + +def JoinBX_AddB(N) = ( JoinBX(0.0,NMi,NMi,NGi,leakJoinBX_B) | RepJoinBX(NRi) ) +def JoinBX_AddX(N) = ( JoinBX2(NMi,0.0,NMi,NGi,leakJoinBX_X) | RepJoinBX2(NRi) ) + +( JoinBX_AddB(N) | JoinBX_AddX(N) ) diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Ripple Carry Adder.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Ripple Carry Adder.crn new file mode 100644 index 0000000..efeb58f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Ripple Carry Adder.crn @@ -0,0 +1,82 @@ +directive sample 0.0,10000000.0 1000000 +directive plot sum("") +directive simulation jit + +init "" 20.0 | +init "{GlueA T^}" 20.0 | +init "[GlueA* T^*]" 20.0 | +init "{T^}[mPopA T^]:[pPushA T^]{GlueA}" 20.0 | +init "" 20.0 | +init "{GlueB T^}" 20.0 | +init "[GlueB* T^*]" 20.0 | +init "{T^}[mPopB T^]:[pPushB T^]{GlueB}" 20.0 | +init "" 20.0 | +init "{GlueC T^}" 20.0 | +init "[GlueC* T^*]" 20.0 | +init "{T^}[mPopC T^]:[pPushC T^]{GlueC}" 20.0 | +init "" 20.0 | +init "{GlueX T^}" 20.0 | +init "[GlueX* T^*]" 20.0 | +init "{T^}[mPopX T^]:[pPushX T^]{GlueX}" 20.0 | +init "[T^ pPushX]:[T^ GlueX*]::[T^* mPopX]{T^*}:[pPushX T^]{GlueX}" 1.0 | +init "{T^*}[pPopX T^]:[pS12 T^]:[mA.24 T^]:[mPopA T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPopX T^]:[pS13 T^]:[mA.25 T^]:[mPopA T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPopC T^]:[pS8 T^]:[mB.20 T^]:[mOne mPushX T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPopC T^]:[pS9 T^]:[mB.21 T^]:[mZero mPushX T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPopC T^]:[pS10 T^]:[mB.22 T^]:[mOne mPushX T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPopC T^]:[pS11 T^]:[mB.23 T^]:[mZero mPushX T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pBot T^]:[pS2 T^]:[mA.3 T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pOne T^]:[pS2 T^]:[mA.4 T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pZero T^]:[pS2 T^]:[mA.5 T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pBot T^]:[pS3 T^]:[mA.6 T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pBot T^]:[pS4 T^]:[mA.9 T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pBot T^]:[pS5 T^]:[mA.12 T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pBot T^]:[pS6 T^]:[mA.14 T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pBot T^]:[pS7 T^]:[mA.17 T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushA pBot T^]:[pS1 T^]:[mA T^]:[mPopB T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushA pOne T^]:[pS1 T^]:[mA.1 T^]:[mPopB T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushA pZero T^]:[pS1 T^]:[mA.2 T^]:[mPopB T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pOne T^]:[pS3 T^]:[mA.7 T^]:[mPopC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pZero T^]:[pS3 T^]:[mA.8 T^]:[mPopC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pOne T^]:[pS4 T^]:[mA.10 T^]:[mPopC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushB pZero T^]:[pS4 T^]:[mA.11 T^]:[mPopC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pOne T^]:[pS5 T^]:[mB T^]:[mOne mPushC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pZero T^]:[pS5 T^]:[mB.13 T^]:[mOne mPushC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pOne T^]:[pS6 T^]:[mB.15 T^]:[mOne mPushC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pZero T^]:[pS6 T^]:[mB.16 T^]:[mZero mPushC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pOne T^]:[pS7 T^]:[mB.18 T^]:[mZero mPushC T^]" 20.0 | +init "" 20.0 | +init "{T^*}[pPushC pZero T^]:[pS7 T^]:[mB.19 T^]:[mZero mPushC T^]" 20.0 | +init "" 20.0 | +init "[T^ pPushC]:[T^ GlueC*]::[T^* mPopC]:[T^ pPushC]:[T^ GlueC*]::[T^* mPopC]{T^*}:[pPushC T^]{GlueC}" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "[T^ pPushB]:[T^ GlueB*]::[T^* mPopB]:[T^ pPushB]:[T^ GlueB*]::[T^* mPopB]:[T^ pPushB]:[T^ GlueB*]::[T^* mPopB]{T^*}:[pPushB T^]{GlueB}" 1.0 | +init "[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]:[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]:[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]{T^*}:[pPushA T^]{GlueA}" 1.0 | +init "[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]:[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]:[T^ pPushA]:[T^ GlueA*]" 0.0 | +"[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]:[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]:[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]{T^*}:[pPushA T^]{GlueA}" + "" ->{0.0003} "{T^}[mPopA T^]:[pPushA T^]{GlueA}" + "[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]:[T^ pPushA]:[T^ GlueA*]::[T^* mPopA]:[T^ pPushA]:[T^ GlueA*]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Ripple Carry Adder.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Ripple Carry Adder.dna new file mode 100644 index 0000000..d53cfcd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Ripple Carry Adder.dna @@ -0,0 +1,324 @@ +directive sample 10000000.0 1000000 +directive compilation infinite +directive simulation jit +directive polymers +directive plot sum(<_ T^ pS1>); sum(<_ T^ pS2>); sum(<_ ^ pS3>); +sum(<_ T^ pS4>); sum(<_ T^ pS5>); sum(<_ T^ pS6>); sum(<_ T^ pS7>); +sum(<_ T^ pS8>); sum(<_ T^ pS9>); sum(<_ T^ pS10>); sum(<_ T^ pS11>); +sum(<_ T^ pS12>); sum(<_ T^ pS13>); sum(<_ T^ pAcc>); sum(<_ T^ pRej>) + +(* Keep relatively large concentrations of fuels etc *) +def lots = 20 + +(* Need a special sequence to represent "bottom", a domain for sealing irreversible gates and a single toehold. *) +new mBot new pBot new T + +(* Fuel needed to edit a stack of type Z *) +def EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) = +(* Fuel strand 1 *) +( lots * +(* Fuel strand 2 *) +| lots * {GlueZ T^} +(* Backbone monomer 1 *) +| lots * [GlueZ* T^*] +(* Backbone monomer 2 *) +| lots * {T^}[mPopZ T^]:[pPushZ T^]{GlueZ} ) + +(* The empty stack of type Z *) +def EmptyStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 1 element. *) +def OneStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 2 elements (final argument at the top). *) +def TwoStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 3 elements (final argument at the top). *) +def ThreeStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY,mW,pW) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 4 elements (final argument at the top). *) +def FourStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY,mW,pW,mU,pU) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 5 elements (final argument at the top). *) +def FiveStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY,mW,pW,mU,pU,mR,pR) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 6 elements (final argument at the top). *) +def SixStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY,mW,pW,mU,pU,mR,pR,mP,pP) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 7 elements (final argument at the top). *) +def SevenStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mA,pA,mB,pB,mC,pC,mD,pD,mE,pE,mF,pF,mG,pG) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 8 elements (final argument at the top). *) +def EightStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mA,pA,mB,pB,mC,pC,mD,pD,mE,pE,mF,pF,mG,pG,mH,pH) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: + [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Element strand for stack type Z, carrying signal X *) +def Element(mX,mPushZ,pPushZ,pX) = + +(* Three-domain signal strand carrying signal X *) +def Signal(mX,pX) = + +(* Irreversible reaction (3+3 -> 3+3) [X+Y -> A+B] *) +def Irrev33x33(mX,pX,mY,pY, mA,pA,mB,pB) = new mA +(* Reaction gate *) +( lots * {T^*}[pX T^]:[pY T^]:[mA T^]:[mB T^] +(* Fuel *) +| lots * ) + +(* Irreversible reaction 5+3 -> 3+5 [X(Z1)+Y -> B+A(Z2)] *) +def Irrev53x35(mX,mPushZ1,pPushZ1,pX,mY,pY, mB,pB,mA,mPushZ2,pPushZ2,pA) = new mB +(* Reaction gate *) +( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] +(* Fuel *) +| lots * ) + +(* Irreversible reaction 5+3 -> 3+3 [X(Z1)+Y -> A+B] *) +def Irrev53x33(mX,mPushZ1,pPushZ1,pX,mY,pY, mA,pA,mB,pB) = new mA +(* Reaction gate *) +( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^]:[mB T^] +(* Fuel *) +| lots * ) + +(* Irreversible reaction 5+3 -> 3 [X(Z1)+Y -> A] *) +def Irrev53x3(mX,mPushZ1,pPushZ1,pX,mY,pY, mA,pA) = new mA +(* Reaction gate *) +( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^] +(* Fuel *) +| lots * ) + +(* Irreversible reaction 3+3 -> 3+5 [X+Y -> B+A(Z2)] *) +def Irrev33x35(mX,pX,mY,pY, mB,pB,mA,mPushZ2,pPushZ2,pA) = new mB +(* Reaction gate *) +( lots * {T^*}[pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] +(* Fuel *) +| lots * ) + +(* *** EXAMPLE - RIPPLE CARRY ADDER *** *) +new mPushA new pPushA new mPopA new pPopA new GlueA +new mPushB new pPushB new mPopB new pPopB new GlueB +new mPushC new pPushC new mPopC new pPopC new GlueC +new mPushX new pPushX new mPopX new pPopX new GlueX +new mZero new pZero new mOne new pOne +new mS1 new pS1 new mS2 new pS2 new mS3 new pS3 new mS4 new pS4 +new mS5 new pS5 new mS6 new pS6 new mS7 new pS7 new mS8 new pS8 +new mS9 new pS9 new mS10 new pS10 new mS11 new pS11 new mS12 new pS12 +new mS13 new pS13 new mAcc new pAcc new mRej new pRej + +(* Input stacks A and B for 2-bit example A (in binary, 00 + 00) *) +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mZero,pZero) + +(* Input stacks A and B for 2-bit example B (in binary, 00 + 01) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example C (in binary, 00 + 10) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example D (in binary, 00 + 11) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example E (in binary, 01 + 00) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example F (in binary, 01 + 01) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example G (in binary, 01 + 10) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example H (in binary, 01 + 11) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example I (in binary, 10 + 00) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example J (in binary, 10 + 01) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example K (in binary, 10 + 10) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example L (in binary, 10 + 11) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example M (in binary, 11 + 00) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example N (in binary, 11 + 01) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example O (in binary, 11 + 10) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example P (in binary, 11 + 11) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mOne,pOne) +*) + +(* Input stacks A and B for 8-bit example (in decimal, 111+222=333) *) +(* +( EightStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero, mOne,pOne, mOne,pOne, mZero,pZero, mOne,pOne, mOne,pOne, mOne,pOne, mOne,pOne) +| EightStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne, mOne,pOne, mZero,pZero, mOne,pOne, mOne,pOne, mOne,pOne, mOne,pOne, mZero,pZero) +*) + +(* Input stacks A and B for stochastic simulation example from paper *) +(* +( OneStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne) +| OneStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero) +*) + +(* Initial carry-in and output stacks - always the same *) +| OneStack(mPushC,pPushC,mPopC,pPopC,GlueC,mZero,pZero) +| EmptyStack(mPushX,pPushX,mPopX,pPopX,GlueX) +(* Initial state strand and initial "instruction" strand *) +| Signal(mS1, pS1) | Signal(mPopA, pPopA) +(* State transition #1 -> #2 [Bot_A + S1 -> S2 + Pop_B] *) +| Irrev53x33(mBot,mPushA,pPushA,pBot,mS1,pS1, mS2,pS2,mPopB,pPopB) +(* State transition #1 -> #3 [One_A + S1 -> S3 + Pop_B] *) +| Irrev53x33(mOne,mPushA,pPushA,pOne,mS1,pS1, mS3,pS3,mPopB,pPopB) +(* State transition #1 -> #4 [Zero_A + S1 -> S4 + Pop_B] *) +| Irrev53x33(mZero,mPushA,pPushA,pZero,mS1,pS1, mS4,pS4,mPopB,pPopB) +(* State transition #2 -> ACC [Bot_B + S2 -> ACC] *) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS2,pS2, mAcc,pAcc) +(* State transition #2 -> REJ [One_B + S2 -> REJ] *) +| Irrev53x3(mOne,mPushB,pPushB,pOne,mS2,pS2, mRej,pRej) +(* State transition #2 -> REJ [Zero_B + S2 -> REJ] *) +| Irrev53x3(mZero,mPushB,pPushB,pZero,mS2,pS2, mRej,pRej) +(* State transition #3 -> REJ [Bot_B + S3 -> REJ] *) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS3,pS3, mRej,pRej) +(* State transition #3 -> #5 [One_B + S3 -> S5 + Pop_C] *) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS3,pS3, mS5,pS5,mPopC,pPopC) +(* State transition #3 -> #6 [Zero_B + S3 -> S6 + Pop_C] *) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS3,pS3, mS6,pS6,mPopC,pPopC) +(* State transition #4 -> REJ [Bot_B + S4 -> REJ] *) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS4,pS4, mRej,pRej) +(* State transition #4 -> #6 [One_B + S4 -> S6 + Pop_C] *) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS4,pS4, mS6,pS6,mPopC,pPopC) +(* State transition #4 -> #7 [Zero_B + S4 -> S7 + Pop_C] *) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS4,pS4, mS7,pS7,mPopC,pPopC) +(* State transition #5 -> REJ [Bot_C + S5 -> REJ] *) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS5,pS5, mRej,pRej) +(* State transition #5 -> #8 [One_C + S5 -> S8 + One_C] *) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS5,pS5, mS8,pS8,mOne,mPushC,pPushC,pOne) +(* State transition #5 -> #9 [Zero_C + S5 -> S9 + One_C] *) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS5,pS5, mS9,pS9,mOne,mPushC,pPushC,pOne) +(* State transition #6 -> REJ [Bot_C + S6 -> REJ] *) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS6,pS6, mRej,pRej) +(* State transition #6 -> #9 [One_C + S6 -> S9 + One_C] *) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS6,pS6, mS9,pS9,mOne,mPushC,pPushC,pOne) +(* State transition #6 -> #10 [Zero_C + S6 -> S10 + Zero_C] *) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS6,pS6, mS10,pS10,mZero,mPushC,pPushC,pZero) +(* State transition #7 -> REJ [Bot_C + S7 -> REJ] *) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS7,pS7, mRej,pRej) +(* State transition #7 -> #10 [One_C + S7 -> S10 + Zero_C] *) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS7,pS7, mS10,pS10,mZero,mPushC,pPushC,pZero) +(* State transition #7 -> #11 [Zero_C + S7 -> S11 + Zero_C] *) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS7,pS7, mS11,pS11,mZero,mPushC,pPushC,pZero) +(* State transition #8 -> #13 [Pop_C + S8 -> S13 + One_X] *) +| Irrev33x35(mPopC,pPopC,mS8,pS8, mS13,pS13,mOne,mPushX,pPushX,pOne) +(* State transition #9 -> #12 [Pop_C + S9 -> S12 + Zero_X] *) +| Irrev33x35(mPopC,pPopC,mS9,pS9, mS12,pS12,mZero,mPushX,pPushX,pZero) +(* State transition #10 -> #13 [Pop_C + S10 -> S13 + One_X] *) +| Irrev33x35(mPopC,pPopC,mS10,pS10, mS13,pS13,mOne,mPushX,pPushX,pOne) +(* State transition #11 -> #12 [Pop_C + S11 -> S12 + Zero_X] *) +| Irrev33x35(mPopC,pPopC,mS11,pS11, mS12,pS12,mZero,mPushX,pPushX,pZero) +(* State transition #12 -> #1 [Pop_X + S12 -> S1 + Pop_A] *) +| Irrev33x33(mPopX,pPopX,mS12,pS12, mS1,pS1,mPopA,pPopA) +(* State transition #13 -> #1 [Pop_X + S13 -> S1 + Pop_A] *) +| Irrev33x33(mPopX,pPopX,mS13,pS13, mS1,pS1,mPopA,pPopA) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Autocatalytic.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Autocatalytic.crn new file mode 100644 index 0000000..c4e5bba --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Autocatalytic.crn @@ -0,0 +1,68 @@ +directive sample 0.0,(48.0 * 3600.0) 1000 +directive plot ""; "" +directive simulation spatial1d +directive dt 20.0 +directive xmax 0.1 +directive spatialplot "" +directive spatialic centralcore { species = ""; width = 0.1; inner = 1.0 } +directive spatialbc zeroflux +directive defaultdiffusion 1E-10 +directive parameters + [ kJ1 = 9.3389E-06 + ; kJ1r = 5.8863E-05 + ; kJ2 = 8.1539E-05 + ; kJ2r = 6.9742E-05 + ; kJ3 = 0.00040619 + ; kJ3r = 3.3053E-06 + ; kF1 = 1.2135E-05 + ; kF1r = 0.00012982 + ; kF2 = 4.5807E-05 + ; kF2r = 0.0004789 + ; kF3 = 0.00012031 + ; kF3r = 1.1956E-06 + ; kF4 = 3.597E-06 + ; kF4r = 0.0004789 + ; kF5 = 7.1967E-06 + ; kFRpx = 0.00066487 + ; leakBX2X_J = 0.0 + ; leakBX2X_F = 0.0 + ; NG = 200.0 + ; NH = 200.0 ] + +init "" 0.0 | +init "" NH | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" (NG * (1.0 - leakBX2X_F)) | +init "" NH | +init "" 5.0 | +init "{t^*}[b t^]:[x t^]:[rbx u1^]" (NG * (1.0 - leakBX2X_J)) | +init "[t^ b]{t^*}:[x t^]:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]{t^*}:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" 0.0 | +init "" (NG * leakBX2X_J) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" (NG * leakBX2X_F) | +init "" NH | +init "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" NH | +init "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" 0.0 | +init "{u3^*}[px fl^]" NG | +init "[u3^ px]{fl^*}" 0.0 | +init "" 0.0 | +init "[u3^ px]" 0.0 | +"" + "{u3^*}[px fl^]" ->{kFRpx} "[u3^ px]" + "" | +"" + "[t^ b]:[t^ x]{t^*}:[rbx u1^]" <->{kJ3}{kJ3r} "" + "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" | +"" + "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" <->{kF1}{kF1r} "" + "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" | +"" + "[t^ b]{t^*}:[x t^]:[rbx u1^]" <->{kJ2}{kJ2r} "" + "[t^ b]:[t^ x]{t^*}:[rbx u1^]" | +"" + "{t^*}[b t^]:[x t^]:[rbx u1^]" <->{kJ1}{kJ1r} "" + "[t^ b]{t^*}:[x t^]:[rbx u1^]" | +"" + "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" | +"" + "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" ->{kF5} "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" | +"{u3^*}[px fl^]" + "" <->{0.0}{0.0} "[u3^ px]{fl^*}" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Autocatalytic.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Autocatalytic.dna new file mode 100644 index 0000000..a3e9bf5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Autocatalytic.dna @@ -0,0 +1,102 @@ +directive sample 48.0*3600.0 1000 +directive compilation infinite +directive declare +directive plot ; ; + +directive parameters [ + (* Rates *) + kJ1 = 9.3389e-06; kJ1r = 5.8863e-05; + kJ2 = 8.1539e-05; kJ2r = 6.9742e-05; + kJ3 = 4.0619e-04; kJ3r = 3.3053e-06; + kF1 = 1.2135e-05; kF1r = 1.2982e-04; + kF2 = 4.5807e-05; kF2r = 4.7890e-04; + kF3 = 1.2031e-04; kF3r = 1.1956e-06; + kF4 = 3.5970e-06; kF4r = 4.7890e-04; + kF5 = 7.1967e-06; + kFRpx = 6.6487e-04; + + (* Leaks *) + (*leakBX2X_J = 0.0107; leakBX2X_F = 5.7837e-07;*) (* Leaks *) + leakBX2X_J = 0.0; leakBX2X_F = 0.0; (* No Leaks *) + + (* Concentrations *) + NG = 200.0; NH = 200.0 +] + +(* Spatial simulation directives *) +directive simulation spatial1d +directive spatialbc zeroflux +directive spatialic centralcore { width=0.1; species=; inner=1.0 } +directive defaultdiffusion 1e-10 +directive dt 20.0 +directive xmax 0.1 +directive nx 101 +directive spatialplot + +def NB = 5.0 + +new t@0.0,0.0 new u1@0.0,0.0 new u2@0.0,0.0 new u3@0.0,0.0 +new b new x new y new rbx new rby new rxy +new pb new px new py new ig +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tx,x) = + +def Translator(r,tq) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Join(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def JoinAB(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| rxn + Join(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join1(ta,a,tb,b,tr,r,tq) +| rxn + Join1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join2(ta,a,tb,b,tr,r,tq) +| rxn + Join2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join3(ta,a,tb,b,tr,r,tq) +) +def ForkXYZ(N,NH1,NH2,NH3,NH4,NG,Leak,i,tz,z,ty,y,tx,x,tr,r,tq,k1) = +( NG*(1.0-Leak) * Fork(i,tz,z,ty,y,tx,x,tr,r,tq) +| NG*Leak * Output(ty,y) +| NH1 * Output1R(x,tr) +| NH2 * Output2R(y,tx) +| NH3 * Output3R(z,ty) +| NH4 * End(i,tz) +| rxn + Fork(i,tz,z,ty,y,tx,x,tr,r,tq) <->{k1,kF1r} + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF2,kF2r} + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF3,kF3r} + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF4,kF2r} + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) ->{kF5} Fork5(i,tz,z,ty,y,tx,x,tr,r,tq) + +) +def Rep(NR,t,r,k) = +( NR * {t^*}[r fl^] +| rxn + {t^*}[r fl^] ->{k} [t^ r] + ) + +(* Components *) +def JoinBX(NB,NX,NH,NG,Leak) = JoinAB(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def ForkXX(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF1) +def RepX(NG) = Rep(NG,u3,px,kFRpx) + +( JoinBX(0.0,0.0,NH,NG,leakBX2X_J) +| ForkXX(0.0,NH,NH,NH,NH,NG,leakBX2X_F) +| RepX(NG) +| NB * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Consensus.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Consensus.crn new file mode 100644 index 0000000..a0e055a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Consensus.crn @@ -0,0 +1,140 @@ +directive sample 0.0,(96.0 * 3600.0) 1000 +directive plot ""; ""; "" +directive simulation spatial1d +directive dt 20.0 +directive xmax 0.1 +directive spatialplot "" +directive spatialic random 0.2 +directive spatialbc zeroflux +directive defaultdiffusion 1E-10 +directive parameters + [ kJ1 = 9.3389E-06 + ; kJ1r = 5.8863E-05 + ; kJ2 = 8.1539E-05 + ; kJ2r = 6.9742E-05 + ; kJ3 = 0.00040619 + ; kJ3r = 3.3053E-06 + ; kF1 = 1.2135E-05 + ; kF1_YY = 4.2054E-06 + ; kF1r = 0.00012982 + ; kF2 = 4.5807E-05 + ; kF2r = 0.0004789 + ; kF3 = 0.00012031 + ; kF3r = 1.1956E-06 + ; kF4 = 3.597E-06 + ; kF4r = 0.0004789 + ; kF5 = 7.1967E-06 + ; kFRpb = 0.00031439 + ; kFRpx = 0.00066487 + ; kFRpy = 0.00015619 + ; leakXY2B_J = 0.0142 + ; leakXY2B_F = 0.0098 + ; leakBX2X_J = 0.0107 + ; leakBX2X_F = 5.7837E-07 + ; leakBY2Y_J = 0.0088 + ; leakBY2Y_F = 0.0175 + ; X = 80.0 + ; NG = 160.0 + ; NH = 160.0 ] + +init "" 3.78 | +init "" (4.0 * NH) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" (NG * (1.0 - leakXY2B_F)) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" (NG * (1.0 - leakBX2X_F)) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" (NG * (1.0 - leakBY2Y_F)) | +init "" NH | +init "" NH | +init "" NH | +init "" 6.22 | +init "" 0.0 | +init "{t^*}[x t^]:[y t^]:[rxy u1^]" (NG * (1.0 - leakXY2B_J)) | +init "[t^ x]{t^*}:[y t^]:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]{t^*}:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" 0.0 | +init "" (NG * leakXY2B_J) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b t^]:[x t^]:[rbx u1^]" (NG * (1.0 - leakBX2X_J)) | +init "[t^ b]{t^*}:[x t^]:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]{t^*}:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" 0.0 | +init "" (NG * leakBX2X_J) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b t^]:[y t^]:[rby u1^]" (NG * (1.0 - leakBY2Y_J)) | +init "[t^ b]{t^*}:[y t^]:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]{t^*}:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]:[t^ rby]{u1^*}" 0.0 | +init "" (NG * leakBY2Y_J) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" 0.0 | +init "" 0.0 | +init "" (NG * leakXY2B_F) | +init "" (NG * leakBX2X_F) | +init "" (NG * leakBY2Y_F) | +init "" NH | +init "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "" NH | +init "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" NH | +init "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "{u3^*}[pb fl^]" NG | +init "[u3^ pb]{fl^*}" 0.0 | +init "" 0.0 | +init "{u3^*}[px fl^]" NG | +init "[u3^ px]{fl^*}" 0.0 | +init "" 0.0 | +init "{u3^*}[py fl^]" NG | +init "[u3^ py]{fl^*}" 0.0 | +init "" 0.0 | +init "[u3^ py]" 0.0 | +init "[u3^ px]" 0.0 | +init "[u3^ pb]" 0.0 | +"" + "{u3^*}[pb fl^]" ->{kFRpb} "[u3^ pb]" + "" | +"" + "{u3^*}[px fl^]" ->{kFRpx} "[u3^ px]" + "" | +"" + "{u3^*}[py fl^]" ->{kFRpy} "[u3^ py]" + "" | +"" + "[t^ x]:[t^ y]{t^*}:[rxy u1^]" <->{kJ3}{kJ3r} "" + "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" | +"" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" <->{kF1}{kF1r} "" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" | +"" + "[t^ x]{t^*}:[y t^]:[rxy u1^]" <->{kJ2}{kJ2r} "" + "[t^ x]:[t^ y]{t^*}:[rxy u1^]" | +"" + "{t^*}[x t^]:[y t^]:[rxy u1^]" <->{kJ1}{kJ1r} "" + "[t^ x]{t^*}:[y t^]:[rxy u1^]" | +"" + "[t^ b]{t^*}:[x t^]:[rbx u1^]" <->{kJ2}{kJ2r} "" + "[t^ b]:[t^ x]{t^*}:[rbx u1^]" | +"" + "[t^ b]:[t^ x]{t^*}:[rbx u1^]" <->{kJ3}{kJ3r} "" + "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" | +"" + "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" <->{kF1}{kF1r} "" + "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" | +"" + "{t^*}[b t^]:[x t^]:[rbx u1^]" <->{kJ1}{kJ1r} "" + "[t^ b]{t^*}:[x t^]:[rbx u1^]" | +"" + "{t^*}[b t^]:[y t^]:[rby u1^]" <->{kJ1}{kJ1r} "" + "[t^ b]{t^*}:[y t^]:[rby u1^]" | +"" + "[t^ b]{t^*}:[y t^]:[rby u1^]" <->{kJ2}{kJ2r} "" + "[t^ b]:[t^ y]{t^*}:[rby u1^]" | +"" + "[t^ b]:[t^ y]{t^*}:[rby u1^]" <->{kJ3}{kJ3r} "" + "[t^ b]:[t^ y]:[t^ rby]{u1^*}" | +"" + "[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" <->{kF1}{kF1r} "" + "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" | +"" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" | +"" + "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" | +"" + "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" | +"" + "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" | +"" + "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" ->{kF5} "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"" + "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" | +"" + "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" ->{kF5} "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" | +"" + "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" | +"" + "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" ->{kF5} "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" | +"{u3^*}[pb fl^]" + "" <->{0.0}{0.0} "[u3^ pb]{fl^*}" + "" | +"{u3^*}[px fl^]" + "" <->{0.0}{0.0} "[u3^ px]{fl^*}" + "" | +"{u3^*}[py fl^]" + "" <->{0.0}{0.0} "[u3^ py]{fl^*}" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Consensus.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Consensus.dna new file mode 100644 index 0000000..5559ead --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Consensus.dna @@ -0,0 +1,132 @@ +directive sample 96.0*3600.0 1000 +directive compilation infinite +directive declare +directive plot ; ; + +directive parameters [ + (* Rates *) + kJ1 = 9.3389e-06; kJ1r = 5.8863e-05; + kJ2 = 8.1539e-05; kJ2r = 6.9742e-05; + kJ3 = 4.0619e-04; kJ3r = 3.3053e-06; + kF1 = 1.2135e-05; kF1_YY = 4.2054e-06; kF1r = 1.2982e-04; + kF2 = 4.5807e-05; kF2r = 4.7890e-04; + kF3 = 1.2031e-04; kF3r = 1.1956e-06; + kF4 = 3.5970e-06; kF4r = 4.7890e-04; + kF5 = 7.1967e-06; + kFRpb = 3.1439e-04; kFRpx = 6.6487e-04; kFRpy = 1.5619e-04; + + (* Leaks *) + leakXY2B_J = 0.0142; leakXY2B_F = 0.0098; + leakBX2X_J = 0.0107; leakBX2X_F = 5.7837e-07; + leakBY2Y_J = 0.0088; leakBY2Y_F = 0.0175; + + (* Concentrations *) + X = 80.0; NG = 160.0; NH = 160.0 +] + +(* Spatial simulation directives *) +directive spatialplot +directive spatialic random 0.2 +directive defaultdiffusion 1e-10 +directive dt 20.0 +directive xmax 0.1 + +(* 1d simulator block *) + directive simulation spatial1d + directive spatialbc zeroflux + directive nx 101 + def NX = 6.22 + def NY = 3.78 +(* 2d simulator block *) +(* directive simulation spatial2d + directive nx 51 + def NX = 7.5 + def NY = 5.0 *) + +new t@0.0,0.0 new u1@0.0,0.0 new u2@0.0,0.0 new u3@0.0,0.0 +new b new x new y new rbx new rby new rxy +new pb new px new py new ig +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tx,x) = + +def Translator(r,tq) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Join(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def JoinAB(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| rxn + Join(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join1(ta,a,tb,b,tr,r,tq) +| rxn + Join1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join2(ta,a,tb,b,tr,r,tq) +| rxn + Join2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join3(ta,a,tb,b,tr,r,tq) +) +def ForkXYZ(N,NH1,NH2,NH3,NH4,NG,Leak,i,tz,z,ty,y,tx,x,tr,r,tq,k1) = +( NG*(1.0-Leak) * Fork(i,tz,z,ty,y,tx,x,tr,r,tq) +| NG*Leak * Output(ty,y) +| NH1 * Output1R(x,tr) +| NH2 * Output2R(y,tx) +| NH3 * Output3R(z,ty) +| NH4 * End(i,tz) +| rxn + Fork(i,tz,z,ty,y,tx,x,tr,r,tq) <->{k1,kF1r} + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF2,kF2r} + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF3,kF3r} + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF4,kF2r} + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) ->{kF5} Fork5(i,tz,z,ty,y,tx,x,tr,r,tq) + +) +def Rep(NR,t,r,k) = +( NR * {t^*}[r fl^] +| rxn + {t^*}[r fl^] ->{k} [t^ r] + ) + +(* Components *) +def JoinBX(NB,NX,NH,NG,Leak) = JoinAB(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = JoinAB(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = JoinAB(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def ForkBB(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF1) +def ForkXX(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF1) +(*def ForkYY(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF1_YY)*) +def ForkYY(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF1) +def RepB(NG) = Rep(NG,u3,pb,kFRpb) +def RepX(NG) = Rep(NG,u3,px,kFRpx) +def RepY(NG) = Rep(NG,u3,py,kFRpy) + +(* Circuits *) +def XY2B(NH,NG) = +( JoinXY(NX,NY,NH,NG,leakXY2B_J) +| ForkBB(0.0,NH,NH,NH,NH,NG,leakXY2B_F) +| RepB(NG) ) +def BX2X(NH,NG) = +( JoinBX(0.0,0.0,NH,NG,leakBX2X_J) +| ForkXX(0.0,NH,NH,NH,NH,NG,leakBX2X_F) +| RepX(NG) ) +def BY2Y(NH,NG) = +( JoinBY(0.0,0.0,NH,NG,leakBY2Y_J) +| ForkYY(0.0,NH,NH,NH,NH,NG,leakBY2Y_F) +| RepY(NG) ) + +( XY2B(NH,NG) +| BX2X(NH,NG) +| BY2Y(NH,NG) +| NH * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Lotka.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Lotka.crn new file mode 100644 index 0000000..a12a6dc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Lotka.crn @@ -0,0 +1,58 @@ +directive sample 0.0,(96.0 * 3600.0) 3000 +directive plot ""; "" +directive reltolerance 1E-06 +directive simulation spatial1d +directive dt 25.0 +directive xmax 0.1 +directive spatialplot "" +directive spatialic centralcore { species = ""; width = 0.1; inner = 1.0 } +directive spatialic centralcore { species = ""; width = 0.1; inner = 1.0 } +directive defaultdiffusion 1E-10 +directive parameters + [ kt = 0.0001 + ; NX = 1.0 + ; NY = 1.0 + ; NG = 200.0 + ; NH = 200.0 + ; c1 = 0.01 + ; c2 = 0.01 ] + +init "{t^c1*}[y]" NG | +init "[i]:[t^ x]:[t^ x]{u^*}" NG | +init "[i]:[t^ y]:[t^ y]{u^*}" NG | +init "{t^c2*}[x u^]:[i]" NG | +init "{t^*}[x t^]:[y u^]:[i]" NG | +init "" NH | +init "" NH | +init "" (2.0 * NH) | +init "" NX | +init "[t^c2 x]{u^*}:[i]" 0.0 | +init "" 0.0 | +init "[i]:[t^ x]{t^*}:[x u^]" 0.0 | +init "[i]{t^*}:[x t^]:[x u^]" 0.0 | +init "[i t^]:[x t^]:[x u^]" 0.0 | +init "" 0.0 | +init "[t^ x]{t^*}:[y u^]:[i]" 0.0 | +init "" NY | +init "[t^c1 y]" 0.0 | +init "" 0.0 | +init "[t^ x]:[t^ y]{u^*}:[i]" 0.0 | +init "" 0.0 | +init "[i]:[t^ y]{t^*}:[y u^]" 0.0 | +init "[i]{t^*}:[y t^]:[y u^]" 0.0 | +init "[i t^]:[y t^]:[y u^]" 0.0 | +init "" (2.0 * NH) | +init "[t^c2 x]:[u^ i]" 0.0 | +init "[t^ x]:[t^ y]:[u^ i]" 0.0 | +"{t^c2*}[x u^]:[i]" + "" <->{(kt * c2)}{kt} "[t^c2 x]{u^*}:[i]" + "" | +"[i]:[t^ x]:[t^ x]{u^*}" + "" <->{kt}{kt} "[i]:[t^ x]{t^*}:[x u^]" + "" | +"[i]{t^*}:[x t^]:[x u^]" + "" ->{kt} "[i t^]:[x t^]:[x u^]" + "" | +"[i]:[t^ x]{t^*}:[x u^]" + "" <->{kt}{kt} "[i]{t^*}:[x t^]:[x u^]" + "" | +"{t^*}[x t^]:[y u^]:[i]" + "" <->{kt}{kt} "[t^ x]{t^*}:[y u^]:[i]" + "" | +"{t^c1*}[y]" + "" ->{(kt * c1)} "[t^c1 y]" + "" | +"[t^ x]{t^*}:[y u^]:[i]" + "" <->{kt}{kt} "[t^ x]:[t^ y]{u^*}:[i]" + "" | +"[i]:[t^ y]:[t^ y]{u^*}" + "" <->{kt}{kt} "[i]:[t^ y]{t^*}:[y u^]" + "" | +"[i]{t^*}:[y t^]:[y u^]" + "" ->{kt} "[i t^]:[y t^]:[y u^]" + "" | +"[i]:[t^ y]{t^*}:[y u^]" + "" <->{kt}{kt} "[i]{t^*}:[y t^]:[y u^]" + "" | +"[t^c2 x]{u^*}:[i]" + "" ->{kt} "[t^c2 x]:[u^ i]" + "" | +"[t^ x]:[t^ y]{u^*}:[i]" + "" ->{kt} "[t^ x]:[t^ y]:[u^ i]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Lotka.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Lotka.dna new file mode 100644 index 0000000..0d29902 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/SpatialDNA_Lotka.dna @@ -0,0 +1,117 @@ +directive sample 96*3600.0 3000 +directive plot ; +directive compilation infinite +directive simulation spatial1d +directive reltolerance 1e-6 +directive time s +directive concentration nM +directive declare +directive parameters [ + kt = 0.0001; + NX = 1.0; + NY = 1.0; + NG = 200.0; + NH = 200.0; + c1 = 0.01; + c2 = 0.01 +] + +directive dt 25.0 +directive xmax 0.1 +directive nx 101 +directive spatialplot +directive defaultdiffusion 1e-10 +directive spatialic centralcore { width=0.1; species=; inner=1.0 } +directive spatialic centralcore { width=0.1; species=; inner=1.0 } + +def ut = 0.1 +new t @kt,ut +new u @kt,ut +new fl@0.0,0.0 + +def Strand(a) = +def Reverse(a) = +def End(i) = +def Signal_Fork(c) = +def Signal_Join(r) = +def Rep_Fork(c) = {t^*}[c] +def Rep_Join(r) = [r]{t^*} +def Deg(a) = {t^(c1)*}:[a] +def Join_1(a,i) = {t^(c2)*}:[a u^]:[i] +def Join_2(a,b,i) = {t^*}:[a t^]:[b u^]:[i] +def Fork_2(i,c,b) = [i]:[t^ c]:[t^ b]{u^*} + +new x new y new i new rx new ry + +def X2X() = +( NG*Join_1(x,i) +| NG*Fork_2(i,x,x) +| NH*Reverse(x) +| NH*Reverse(i) +| NH* +) +def XY2Y() = +( NG*Join_2(x,y,i) +| NG*Fork_2(i,y,y) +| NH*Reverse(y) +| NH*Reverse(i) +| NH* +) +def DegY() = NG*Deg(y) + +def TestDegY(NY) = +( DegY() +| NY*Strand(y) +) +def TestJoinX(NX) = +( NG*Join_1(x,i) +| NX*Strand(x) +| NG*Reverse(x) +) +def TestJoinXY(NX,NY) = +( NG*Join_2(x,y,i) +| NX*Strand(x) +| NY*Strand(y) +| NG*Reverse(x) +) + +def TestX2X(NX) = +( X2X() +| NX*Strand(x) +| NG*Reverse(x) +) +def TestXY2Y(NX,NY) = +( XY2Y() +| NX*Strand(x) +| NY*Strand(y) +| NG*Reverse(x) +| NG*Reverse(y) +) +def TestDegY(NY) = +( DegY() +| NY*Strand(y) +) +def Lotka(NX,NY) = +( DegY() +| X2X() +| XY2Y() +| NX*Strand(x) +| NY*Strand(y) +) + +Lotka(NX,NY) + +(* +TestJoinX(NX) +TestJoinXY(NX,NY) +Lotka(NX,NY) +TestDegY(NY) +TestX2X(NX) +TestXY2Y(NX,NY) +*) + +(* Gates *) +(*Join_1(x,i)*) +(*Fork_2(i,x,x)*) +(*Join_2(x,y,i)*) +(*Fork_2(i,y,y)*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Wires.crn b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Wires.crn new file mode 100644 index 0000000..9650832 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Wires.crn @@ -0,0 +1,155 @@ +directive sample 0.0,10000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ length = 0.0 + ; c = 50.0 ] +directive sweep sweep_4 = + { length = [0.0, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0] } + +init "{T^*}[ra rb]" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + ((floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) + ((floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))) + ((floor(((((2.0 ^ length) / 64.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 128.0))) + ((floor(((((2.0 ^ length) / 32.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 64.0))) + ((floor(((((2.0 ^ length) / 16.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 32.0))) + ((floor(((((2.0 ^ length) / 8.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 16.0))) + ((floor(((((2.0 ^ length) / 4.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 8.0))) + ((floor(((((2.0 ^ length) / 2.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 4.0))) + (floor((((2.0 ^ length) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 2.0)))))))))))) | +init "" (floor((((2.0 ^ length) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 2.0))) | +init "[T^ ra rb]" 0.0 | +init "" 0.0 | +init "" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + ((floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) + ((floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))) + ((floor(((((2.0 ^ length) / 64.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 128.0))) + ((floor(((((2.0 ^ length) / 32.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 64.0))) + ((floor(((((2.0 ^ length) / 16.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 32.0))) + ((floor(((((2.0 ^ length) / 8.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 16.0))) + ((floor(((((2.0 ^ length) / 4.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 8.0))) + (floor(((((2.0 ^ length) / 2.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 4.0))))))))))) | +init "{T^*}[aa]:[ab T^]" (floor(((((2.0 ^ length) / 2.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 4.0))) | +init "[T^ aa ab]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +init "{T^*}[ba]:[bb T^]" (floor(((((2.0 ^ length) / 4.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 8.0))) | +init "{T^*}[ca]:[cb T^]" (floor(((((2.0 ^ length) / 8.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 16.0))) | +init "{T^*}[da]:[db T^]" (floor(((((2.0 ^ length) / 16.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 32.0))) | +init "{T^*}[ea]:[eb T^]" (floor(((((2.0 ^ length) / 32.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 64.0))) | +init "{T^*}[fa]:[fb T^]" (floor(((((2.0 ^ length) / 64.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 128.0))) | +init "{T^*}[ga]:[gb T^]" (floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))) | +init "{T^*}[ha]:[hb T^]" (floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) | +init "{T^*}[ia]:[ib T^]" (floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) | +init "{T^*}[ha]:[hb T^]" (floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) | +init "{T^*}[ga]:[gb T^]" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + (floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0)))) | +init "{T^*}[fa]:[fb T^]" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + ((floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) + (floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))))) | +init "{T^*}[ea]:[eb T^]" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + ((floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) + ((floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))) + (floor(((((2.0 ^ length) / 64.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 128.0)))))) | +init "{T^*}[da]:[db T^]" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + ((floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) + ((floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))) + ((floor(((((2.0 ^ length) / 64.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 128.0))) + (floor(((((2.0 ^ length) / 32.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 64.0))))))) | +init "{T^*}[ca]:[cb T^]" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + ((floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) + ((floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))) + ((floor(((((2.0 ^ length) / 64.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 128.0))) + ((floor(((((2.0 ^ length) / 32.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 64.0))) + (floor(((((2.0 ^ length) / 16.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 32.0)))))))) | +init "{T^*}[ba]:[bb T^]" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + ((floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) + ((floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))) + ((floor(((((2.0 ^ length) / 64.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 128.0))) + ((floor(((((2.0 ^ length) / 32.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 64.0))) + ((floor(((((2.0 ^ length) / 16.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 32.0))) + (floor(((((2.0 ^ length) / 8.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 16.0))))))))) | +init "{T^*}[aa]:[ab T^]" ((floor(((((2.0 ^ length) / 512.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 1024.0))) + ((floor(((((2.0 ^ length) / 256.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 512.0))) + ((floor(((((2.0 ^ length) / 128.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 256.0))) + ((floor(((((2.0 ^ length) / 64.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 128.0))) + ((floor(((((2.0 ^ length) / 32.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 64.0))) + ((floor(((((2.0 ^ length) / 16.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 32.0))) + ((floor(((((2.0 ^ length) / 8.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 16.0))) + (floor(((((2.0 ^ length) / 4.0) + 1.0) / 2.0)) - floor(((2.0 ^ length) / 8.0)))))))))) | +init "" 0.0 | +init "[T^ ba bb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +init "" 0.0 | +init "[T^ ca cb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +init "" 0.0 | +init "[T^ da db]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +init "" 0.0 | +init "[T^ ea eb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +init "" 0.0 | +init "[T^ fa fb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +init "" 0.0 | +init "[T^ ga gb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +init "" 0.0 | +init "[T^ ha hb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +init "" 0.0 | +init "[T^ ia ib]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ ra rb]" 0.0 | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[aa]:[ab T^]" + "" ->{(c * 5E-05)} "[T^ aa ab]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[aa]:[ab T^]" + "" ->{(c * 5E-05)} "[T^ aa ab]{T^*}" + "" + "" | +"{T^*}[aa]:[ab T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[aa]:[ab T^]" + "" | +"{T^*}[ba]:[bb T^]" + "" ->{(c * 5E-05)} "[T^ ba bb]{T^*}" + "" + "" | +"{T^*}[ba]:[bb T^]" + "" ->{(c * 5E-05)} "[T^ ba bb]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ba]:[bb T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[ba]:[bb T^]" + "" | +"{T^*}[ca]:[cb T^]" + "" ->{(c * 5E-05)} "[T^ ca cb]{T^*}" + "" + "" | +"{T^*}[ca]:[cb T^]" + "" ->{(c * 5E-05)} "[T^ ca cb]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ca]:[cb T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[ca]:[cb T^]" + "" | +"{T^*}[da]:[db T^]" + "" ->{(c * 5E-05)} "[T^ da db]{T^*}" + "" + "" | +"{T^*}[da]:[db T^]" + "" ->{(c * 5E-05)} "[T^ da db]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[da]:[db T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[da]:[db T^]" + "" | +"{T^*}[ea]:[eb T^]" + "" ->{(c * 5E-05)} "[T^ ea eb]{T^*}" + "" + "" | +"{T^*}[ea]:[eb T^]" + "" ->{(c * 5E-05)} "[T^ ea eb]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ea]:[eb T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[ea]:[eb T^]" + "" | +"{T^*}[fa]:[fb T^]" + "" ->{(c * 5E-05)} "[T^ fa fb]{T^*}" + "" + "" | +"{T^*}[fa]:[fb T^]" + "" ->{(c * 5E-05)} "[T^ fa fb]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[fa]:[fb T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[fa]:[fb T^]" + "" | +"{T^*}[ga]:[gb T^]" + "" ->{(c * 5E-05)} "[T^ ga gb]{T^*}" + "" + "" | +"{T^*}[ga]:[gb T^]" + "" ->{(c * 5E-05)} "[T^ ga gb]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ga]:[gb T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[ga]:[gb T^]" + "" | +"{T^*}[ha]:[hb T^]" + "" ->{(c * 5E-05)} "[T^ ha hb]{T^*}" + "" + "" | +"{T^*}[ha]:[hb T^]" + "" ->{(c * 5E-05)} "[T^ ha hb]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ha]:[hb T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[ha]:[hb T^]" + "" | +"{T^*}[ia]:[ib T^]" + "" ->{(c * 5E-05)} "[T^ ia ib]{T^*}" + "" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"{T^*}[ra rb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" | +"[T^ ra rb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ ra rb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Wires.dna b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Wires.dna new file mode 100644 index 0000000..0a628dc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/crn_expectations/unsupported/Wires.dna @@ -0,0 +1,133 @@ +directive duration 10000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migraTon rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Define parameters *) +directive parameters [ length=0.0; c=50.0 ] +directive sweep length = [0.0, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0] + +(* Binary Conversion *) +def num = 2.0**length +def x0 = int_of_float((num+1.0)/2.0) - int_of_float (num/2.0) +def x1 = int_of_float(((num/2.0**1.0)+1.0)/2.0) - int_of_float(num/2.0**2.0) +def x2 = int_of_float(((num/2.0**2.0)+1.0)/2.0) - int_of_float(num/2.0**3.0) +def x3 = int_of_float(((num/2.0**3.0)+1.0)/2.0) - int_of_float(num/2.0**4.0) +def x4 = int_of_float(((num/2.0**4.0)+1.0)/2.0) - int_of_float(num/2.0**5.0) +def x5 = int_of_float(((num/2.0**5.0)+1.0)/2.0) - int_of_float(num/2.0**6.0) +def x6 = int_of_float(((num/2.0**6.0)+1.0)/2.0) - int_of_float(num/2.0**7.0) +def x7 = int_of_float(((num/2.0**7.0)+1.0)/2.0) - int_of_float(num/2.0**8.0) +def x8 = int_of_float(((num/2.0**8.0)+1.0)/2.0) - int_of_float(num/2.0**9.0) +def x9 = int_of_float(((num/2.0**9.0)+1.0)/2.0) - int_of_float(num/2.0**10.0) + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +def STRAND (T, sa, sb) = +def WIRE (T, Inputa, Inputb, To, Outputa, Outputb) = ({T^*}[Inputa]:[Inputb To^]) +def REPORTER (T, Inputa, Inputb) = {T^*}[Inputa Inputb] + +new T @ c * bind, unbind + +def WIRES0() = +( STRAND(T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES1() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES2() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES3() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES4() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES5() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES6() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, fa, fb) +| WIRE(T, fa, fb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES7() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, fa, fb) +| WIRE(T, fa, fb, T, ga, gb) +| WIRE(T, ga, gb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES8() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, fa, fb) +| WIRE(T, fa, fb, T, ga, gb) +| WIRE(T, ga, gb, T, ha, hb) +| WIRE(T, ha, hb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES9() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, fa, fb) +| WIRE(T, fa, fb, T, ga, gb) +| WIRE(T, ga, gb, T, ha, hb) +| WIRE(T, ha, hb, T, ia, ib) +| WIRE(T, ia, ib, T, ra, rb) +| REPORTER(T, ra, rb) ) + +( x0 * WIRES0() +| x1 * WIRES1() +| x2 * WIRES2() +| x3 * WIRES3() +| x4 * WIRES4() +| x5 * WIRES5() +| x6 * WIRES6() +| x7 * WIRES7() +| x8 * WIRES8() +| x9 * WIRES9() ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/deterministicANDCircuir.csv b/ClassicDSD/ClassicDSDTests/deterministicANDCircuir.csv new file mode 100644 index 0000000..f36ecfa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/deterministicANDCircuir.csv @@ -0,0 +1,1004 @@ +Time,<1^ 2=""> + ,<3 4=""^> + ,<2 3=""> +0,1,1,0 +975.779520088317,0.960297390145217,0.960297390145217,0.0143474006557769 +1974.8847405179,0.946328503853114,0.946328503853115,0.0287226926438207 +2993.54022869898,0.932503919541872,0.932503919541873,0.042936221186767 +3998.68405322661,0.919268438815746,0.919268438815746,0.0565428165415085 +4994.34966687047,0.906545918032609,0.906545918032608,0.0696297984230259 +5992.01839735848,0.894156035109541,0.89415603510954,0.0823695721594295 +6986.22165421923,0.882162459367293,0.882162459367292,0.0947092025134033 +7984.05592952309,0.870449751288784,0.870449751288783,0.106751778053743 +8981.81418707614,0.859056107900702,0.859056107900701,0.118465093587746 +9973.76389019663,0.84804365151114,0.848043651511139,0.129798208032984 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+999992.217285544,0.0651792309222631,0.0651792309222581,0.933237023857832 diff --git a/ClassicDSD/ClassicDSDTests/simulations/ANDCircuit.dna b/ClassicDSD/ClassicDSDTests/simulations/ANDCircuit.dna new file mode 100644 index 0000000..78488ff --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/simulations/ANDCircuit.dna @@ -0,0 +1,17 @@ +directive simulation { plots = [<1^ 2>; <3 4^>; <2 3>] + ; points = 1000 + ; final = 1000000.0 } +directive deterministic {reltolerance=0.00001} +def N1 = 1 +def N2 = 1 +def N = 10 +def Input1() = <1^ 2> +def Input2() = <3 4^> +def Output() = <2 3> +def AND() = {1^*}[2 3]{4^*} + +( N1 of Input1() +| N2 of Input2() +| N of AND() +| 0 of Output() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/simulations/README.txt b/ClassicDSD/ClassicDSDTests/simulations/README.txt new file mode 100644 index 0000000..e81090b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/simulations/README.txt @@ -0,0 +1,10 @@ +This directory is to contain (potentially) long-running regression tests for the simulators. + +A test X comes in the form of two files: X.dna and X.cvs. +X.dna should be a valid DSD program containing a deterministic simulation and X.csv should contain the expected result. +A seldomly (nightly?) run test engine will find all .dna files in this directory and each will be run and the result commpared to the corresponding .csv file. +If no such .csv file exists, the test will not be run. +If at any point the produced values deviate from the expected values beyond the tolerance, the test has failed. +To add a new test to the suite, simply add a .dan file and a cooresponding .csv file to this directory. + +For the moment there is only support for deterministic simulations with no sweeps. \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/simulations/ultrasensitive.bkp b/ClassicDSD/ClassicDSDTests/simulations/ultrasensitive.bkp new file mode 100644 index 0000000..83f4787 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/simulations/ultrasensitive.bkp @@ -0,0 +1,52 @@ +directive simulation { final = 500000.0 + ; points = 1000 + ; plots = [<_ tl1p^ l1p>; <_ tl2p^ l2p>; <_ tl3p^ l3p>] } +directive deterministic {stiff = true; reltolerance = 0.00001} +def bind = 0.00003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 10000 +new tstim@bind,unbind +new tl1@bind,unbind new tl1p@bind,unbind +new tl2@bind,unbind new tl2p@bind,unbind +new tl3@bind,unbind new tl3p@bind,unbind + +def BTr(M,N, tx,x, ty,y) = +new ta@bind,unbind new a new b new tB@bind,unbind new B +( M of {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tB^] +| M of +| M of [x]:{ta^*} +| M of [B]:{tx^*} +| N of +) + +def BF2(M,N, tx,x, ty,y, tz,z) = +new ta@bind,unbind new a new b new c new tB@bind,unbind new B +( M of {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] +| M of +| M of [x]:{ta^*} +| M of [B]:{tx^*} +| N of +) + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M of {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M of +| M of [B]:{tx^*} +| M of [x]:[ty^ d]:[td^ y]:{ta^*} +| M of +| M of {td^*}:[y] +| M of {ty^*}:[d] +| N of +) + +( BF2(Buff,10, tstim,stim, tl1,l1, tstim,stim) +| BTr(Buff,10, tl1,l1, tl1p,l1p) +| BJ2x2(Buff,10, tl1p,l1p, tl2,l2, tl1,l1, tl2p,l2p) +| BJ2x2(Buff,10, tl2p,l2p, tl3,l3, tl2,l2, tl3p,l3p) +| BTr(Buff,1, tl3p,l3p, tl3,l3) +| 1000 of +| 1000 of +| 10 of +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/simulations/ultrasensitive.csv b/ClassicDSD/ClassicDSDTests/simulations/ultrasensitive.csv new file mode 100644 index 0000000..3f486df --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/simulations/ultrasensitive.csv @@ -0,0 +1,1002 @@ +Time,sum(<_ tl1p^ l1p>),sum(<_ tl2p^ l2p>),sum(<_ tl3p^ l3p>) +0,0,0,0 +499.4053818,0.023397084,0.000332783,2.60E-06 +993.4481472,0.094104772,0.003497298,8.46E-05 +1497.322033,0.208216316,0.012745695,0.000546688 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--- /dev/null +++ b/ClassicDSD/ClassicDSDTests/simulations/ultrasensitive.dna @@ -0,0 +1,52 @@ +directive simulation { final = 500000.0 + ; points = 1000 + ; plots = [<_ tl1p^ l1p>; <_ tl2p^ l2p>; <_ tl3p^ l3p>] } +directive deterministic {stiff = true; reltolerance = 0.00001} +def bind = 0.00003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 10000 +new tstim@bind,unbind +new tl1@bind,unbind new tl1p@bind,unbind +new tl2@bind,unbind new tl2p@bind,unbind +new tl3@bind,unbind new tl3p@bind,unbind + +def BTr(M,N, tx,x, ty,y) = +new ta@bind,unbind new a new b new tB@bind,unbind new B +( M of {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^] +| M of +| M of [x]{ta^*} +| M of [B]{tx^*} +| N of +) + +def BF2(M,N, tx,x, ty,y, tz,z) = +new ta@bind,unbind new a new b new c new tB@bind,unbind new B +( M of {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] +| M of +| M of [x]{ta^*} +| M of [B]{tx^*} +| N of +) + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M of {tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M of +| M of [B]{tx^*} +| M of [x]:[ty^ d]:[td^ y]{ta^*} +| M of +| M of {td^*}[y] +| M of {ty^*}[d] +| N of +) + +( BF2(Buff,10, tstim,stim, tl1,l1, tstim,stim) +| BTr(Buff,10, tl1,l1, tl1p,l1p) +| BJ2x2(Buff,10, tl1p,l1p, tl2,l2, tl1,l1, tl2p,l2p) +| BJ2x2(Buff,10, tl2p,l2p, tl3,l3, tl2,l2, tl3p,l3p) +| BTr(Buff,1, tl3p,l3p, tl3,l3) +| 1000 of +| 1000 of +| 10 of +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/2-domain, DCM - Two domain fork-join.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/2-domain, DCM - Two domain fork-join.dna new file mode 100644 index 0000000..222d67e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/2-domain, DCM - Two domain fork-join.dna @@ -0,0 +1,27 @@ +directive simulation {final=300; plots=[; ; ; ; sum([[t^ _]:[_ t^]])]; } +directive compilation infinite +new t @ 1.0, 1.0 +def F(N, x, y, z) = + (new a + ( N * + | N * + | N * + | N * {t^*}[x t^]:[a t^]:[a] + | N * [x]:[t^ z]:[t^ y]:[t^ a]{t^*})) +def J(N, x, y, z) = + (new a + new b + ( N * + | N * + | N * + | N * {t^*}[x t^]:[y t^]:[a t^]:[a] + | N * [x]:[t^ b]:[t^ z]:[t^ a]{t^*} + | N * {t^*}[b y]{t^*})) +( F(10.0,x,y,z) +| F(10.0,u,v,w) +| J(10.0,y,v,yv) +| J(10.0,y,w,yw) +| J(10.0,z,v,zv) +| J(10.0,z,w,zw) +| 1.0 * +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/2-domain, DCM - Two-domain transducer.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/2-domain, DCM - Two-domain transducer.dna new file mode 100644 index 0000000..3fd90ac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/2-domain, DCM - Two-domain transducer.dna @@ -0,0 +1,11 @@ +directive simulation {final=10000; plots=[; ; ]; } +directive compilation infinite +new t +def T(N, x, y) = + (new a + ( N * + | N * + | N * {t^*}[x t^]:[a t^]:[a] + | N * [x]:[t^ y]:[t^ a]{t^*})) +( +| T(1.0,x,y)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Fork.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Fork.dna new file mode 100644 index 0000000..1bb335c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Fork.dna @@ -0,0 +1,22 @@ +directive simulation {final=30000; plots=[sum([<_ tx^ x>]); [B]:[tx^]; sum([<_ ty^ y>]); sum([<_ tz^ z>]); [tB^ B]{tx^}:[x ta^]:[a ty]:[b tz^]:[c tB^]]; } +directive stochastic {scale=100} +def bind = 0.0003 +def unbind = 0.1126 +def Buff = 100.0 +new tx @ bind, unbind +new ty @ bind, unbind +new tz @ bind, unbind +def BF2(M, N, tx, x, ty, y, tz, z) = + (new ta @ bind, unbind + new a + new b + new c + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] + | M * + | M * [x]{ta^*} + | M * [B]{tx^*} + | N * )) +( BF2(Buff,1.0,tx,x,ty,y,tz,z) +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Join.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Join.dna new file mode 100644 index 0000000..254c9de --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Join.dna @@ -0,0 +1,29 @@ +directive simulation {final=100000; plots=[sum([<_ tx^ x>]); sum([<_ ty^ y>]); sum([<_ tz^ z>]); sum([<_ tw^ w>]); ; [tB^ B]{tx^}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]]; } +directive stochastic {scale=100} +def bind = 0.0003 +def unbind = 0.1126 +def Buff = 100.0 +new tx @ bind, unbind +new ty @ bind, unbind +new tz @ bind, unbind +new tw @ bind, unbind +def BJ2x2(M, N, tx, x, ty, y, tz, z, tw, w) = + (new ta @ bind, unbind + new a + new b + new c + new td @ bind, unbind + new d + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] + | M * + | M * [B]{tx^*} + | M * [x]:[ty^ d]:[td^ y]{ta^*} + | M * + | M * {td^*}[y] + | M * {ty^*}[d] + | N * )) +( BJ2x2(Buff,1.0,tx,x,ty,y,tz,z,tw,w) +| 1.0 * +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Transducer.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Transducer.dna new file mode 100644 index 0000000..bfadc91 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Buffered Transducer.dna @@ -0,0 +1,20 @@ +directive simulation {final=30000; plots=[sum([<_ tx^ x>]); sum([<_ ty^ y>]); [tB^ B]{tx^}:[x ta^]:[a ty^]:[b tB^]]; } +directive stochastic {scale=100} +def bind = 0.0003 +def unbind = 0.1126 +def Buff = 100.0 +new tx @ bind, unbind +new ty @ bind, unbind +def BTr(M, N, tx, x, ty, y) = + (new ta @ bind, unbind + new a + new b + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^] + | M * + | M * [x]{ta^*} + | M * [B]{tx^*} + | N * )) +( BTr(Buff,1.0,tx,x,ty,y) +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Oscillating.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Oscillating.dna new file mode 100644 index 0000000..f22c2e8 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Oscillating.dna @@ -0,0 +1,31 @@ +directive simulation {final=500000; plots=[sum([<_ tp^ p>]); sum([<_ tq^ q>]); sum([<_ tr^ r>]); sum([]); [tB^ B]{tp^}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]]; } +directive stochastic {scale=100} +def bind = 0.0003 +def unbind = 0.1126 +def Buff = 100.0 +new tp @ bind, unbind +new tq @ bind, unbind +new tr @ bind, unbind +def BJ2x2(M, N, tx, x, ty, y, tz, z, tw, w) = + (new ta @ bind, unbind + new a + new b + new c + new td @ bind, unbind + new d + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] + | M * + | M * [B]{tx^*} + | M * [x]:[ty^ d]:[td^ y]{ta^*} + | M * + | M * {td^*}[y] + | M * {ty^*}[d] + | N * )) +( BJ2x2(Buff,1.0,tp,p,tq,q,tq,q,tq,q) +| BJ2x2(Buff,1.0,tq,q,tr,r,tr,r,tr,r) +| BJ2x2(Buff,1.0,tr,r,tp,p,tp,p,tp,p) +| 3.0 * +| 2.0 * +| 2.0 *
) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Transducer Composition.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Transducer Composition.dna new file mode 100644 index 0000000..b77ccaa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Transducer Composition.dna @@ -0,0 +1,16 @@ +directive simulation {final=5000; plots=[<_ tx^ x>; <_ ty^ y>; <_ tz^ z>]; } +directive stochastic {scale=1000} +def bind = 0.0003 +def unbind = 0.1126 +new tx @ bind, unbind +new ty @ bind, unbind +new tz @ bind, unbind +def Tr(N, tx, x, ty, y) = + (new a + new ta @ bind, unbind + ( N * {tx^*}[x ta^]:[a ty^] + | N * + | N * [x]{ta^*})) +( Tr(10.0,tx,x,ty,y) +| Tr(10.0,ty,y,tz,z) +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Transducer.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Transducer.dna new file mode 100644 index 0000000..4ac57ac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Transducer.dna @@ -0,0 +1,14 @@ +directive simulation {final=5000; plots=[<_ tx^ x>; <_ ty^ y>]; } +directive stochastic {scale=1000} +def bind = 0.0003 +def unbind = 0.1126 +new tx @ bind, unbind +new ty @ bind, unbind +def Tr(N, tx, x, ty, y) = + (new a + new ta @ bind, unbind + ( N * {tx^*}[x ta^]:[a ty^] + | N * + | N * [x]{ta^*})) +( Tr(10.0,tx,x,ty,y) +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Ultrasensitive.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Ultrasensitive.dna new file mode 100644 index 0000000..6bd1e3d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/3-domain, DNA 2016 - Ultrasensitive.dna @@ -0,0 +1,59 @@ +directive simulation {final=500000; plots=[sum([<_ tl1p^ l1p>]); sum([<_ tl2p^ l2p>]); sum([<_ tl3p^ l3p>])]; } +def bind = 3E-05 +def unbind = 0.1126 +def Buff = 10000.0 +new tstim @ bind, unbind +new tl1 @ bind, unbind +new tl1p @ bind, unbind +new tl2 @ bind, unbind +new tl2p @ bind, unbind +new tl3 @ bind, unbind +new tl3p @ bind, unbind +def BTr(M, N, tx, x, ty, y) = + (new ta @ bind, unbind + new a + new b + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^] + | M * + | M * [x]{ta^*} + | M * [B]{tx^*} + | N * )) +def BF2(M, N, tx, x, ty, y, tz, z) = + (new ta @ bind, unbind + new a + new b + new c + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] + | M * + | M * [x]{ta^*} + | M * [B]{tx^*} + | N * )) +def BJ2x2(M, N, tx, x, ty, y, tz, z, tw, w) = + (new ta @ bind, unbind + new a + new b + new c + new td @ bind, unbind + new d + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] + | M * + | M * [B]{tx^*} + | M * [x]:[ty^ d]:[td^ y]{ta^*} + | M * + | M * {td^*}[y] + | M * {ty^*}[d] + | N * )) +( BF2(Buff,10.0,tstim,stim,tl1,l1,tstim,stim) +| BTr(Buff,10.0,tl1,l1,tl1p,l1p) +| BJ2x2(Buff,10.0,tl1p,l1p,tl2,l2,tl1,l1,tl2p,l2p) +| BJ2x2(Buff,10.0,tl2p,l2p,tl3,l3,tl2,l2,tl3p,l3p) +| BTr(Buff,1.0,tl3p,l3p,tl3,l3) +| 1000.0 * +| 1000.0 * +| 10.0 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Co-operative - Lotka.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Co-operative - Lotka.dna new file mode 100644 index 0000000..c8f2771 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Co-operative - Lotka.dna @@ -0,0 +1,23 @@ +directive simulation {final=20000; plots=[; ]; } +directive deterministic {reltolerance=1E-07} +def bind = 1E-05 +def unbind = 0.1 +def Excess = 100.0 +new x @ bind, unbind +new t @ bind, unbind +def SpeciesL(N, al, a) = N * +def SpeciesR(N, a, ar) = N *
+def BinaryLRxRR(N, al, a, b, br, c, cr, d, dr) = + (new i + ( constant N * {t^*}[a x^ b]{t^*} + | constant (N * Excess) * {x^*}[b i]:[t^ cr]:[t^ dr])) +def UnaryLxLL(N, al, a, cl, c, dl, d) = + (new i + ( constant N * {t^*}[a x^] + | constant (N * Excess) * {x^*}[i]:[cl t^]:[dl t^])) +def UnaryRx(N, a, ar) = constant N * [a]{t^*} +( UnaryLxLL(1000.0,y1l,y1,y1l,y1,y1l,y1) +| BinaryLRxRR(30000.0,y1l,y1,y2,y2r,y2,y2r,y2,y2r) +| UnaryRx(1000.0,y2,y2r) +| SpeciesL(1000.0,y1l,y1) +| SpeciesR(1000.0,y2,y2r)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Co-operative - Mapk.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Co-operative - Mapk.dna new file mode 100644 index 0000000..6f9d768 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Co-operative - Mapk.dna @@ -0,0 +1,56 @@ +directive simulation {final=20000; plots=[; ; ; ; ; ; ; ]; } +directive stochastic {scale=10} +def bind = 0.0003 +def unbind = 0.1126 +def Init = 50.0 +def Low = 1.0 +def Excess = 100.0 +new x @ bind, unbind +new t @ bind, unbind +def SpeciesL(N, al, a) = N * +def SpeciesR(N, a, ar) = N * +def BinaryLRxLR(N, al, a, b, br, cl, c, d, dr) = + (new i + ( constant N * {t^*}[a x^ b]{t^*} + | constant (N * Excess) * {x^*}[b i]:[cl t^]:[i]:[t^ dr])) +new e1l +new e1 +new kkk +new kkkr +new kkl +new kk +new k +new kr +new e2l +new e2 +new kkpase +new kkpaser +new kpasel +new kpase +new kkks +new kkksr +new kkpl +new kkp +new kkppl +new kkpp +new kp +new kpr +new kpp +new kppr +( SpeciesL(1.0,e1l,e1) +| SpeciesR(10.0,kkk,kkkr) +| SpeciesL(100.0,kkl,kk) +| SpeciesR(100.0,k,kr) +| SpeciesL(1.0,e2l,e2) +| SpeciesR(1.0,kkpase,kkpaser) +| SpeciesL(1.0,kpasel,kpase) +| BinaryLRxLR(Init,e1l,e1,kkk,kkkr,e1l,e1,kkks,kkksr) +| BinaryLRxLR(Low,e2l,e2,kkks,kkksr,e2l,e2,kkk,kkkr) +| BinaryLRxLR(Init,kkl,kk,kkks,kkksr,kkpl,kkp,kkks,kkksr) +| BinaryLRxLR(Init,kkpl,kkp,kkks,kkksr,kkppl,kkpp,kkks,kkksr) +| BinaryLRxLR(Low,kkppl,kkpp,kkpase,kkpaser,kkpl,kkp,kkpase,kkpaser) +| BinaryLRxLR(Low,kkpl,kkp,kkpase,kkpaser,kkl,kk,kkpase,kkpaser) +| BinaryLRxLR(Init,kkppl,kkpp,k,kr,kkppl,kkpp,kp,kpr) +| BinaryLRxLR(Init,kkppl,kkpp,kp,kpr,kkppl,kkpp,kpp,kppr) +| BinaryLRxLR(Low,kpasel,kpase,kpp,kppr,kpasel,kpase,kp,kpr) +| BinaryLRxLR(Low,kpasel,kpase,kp,kpr,kpasel,kpase,k,kr)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized Fanout) SQRT.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized Fanout) SQRT.dna new file mode 100644 index 0000000..352b4a4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized Fanout) SQRT.dna @@ -0,0 +1,87 @@ +directive simulation {final=36000; points=2000; plots=[; ; ; ]; } +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def num = 15.0 +def Copies = 1000.0 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + (( ((1.0 - x) * ON) * STRAND(T,x_0a,x_0b) + | (x * ON) * STRAND(T,x_1a,x_1b))) +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def THREEINPUTOR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] + | {Ti3^*}[Input3a]:[Input3b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE(Ti, Inputa, Inputb, To, Outputa, Outputb) = ( {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + (( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def x1 = (((num + 1.0) / 2.0) - (num / 2.0)) +def x2 = ((((num / 2.0) + 1.0) / 2.0) - (num / 4.0)) +def x3 = ((((num / 4.0) + 1.0) / 2.0) - (num / 8.0)) +def x4 = ((((num / 8.0) + 1.0) / 2.0) - (num / 16.0)) +def MSB(N) = + (( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,Tmsb_0,MSB_0a,MSB_0b) + | N * REPORTER(Tmsb_0,MSB_0a,MSB_0b) + | N * OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,Tmsb_1,MSB_1a,MSB_1b) + | N * REPORTER(Tmsb_1,MSB_1a,MSB_1b))) +def LSB1(N) = + (( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * FANOUT(T,x4_1a,x4_1b,Tx4_1o,x4_1oa,x4_1ob,2.0) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta1,a1a,a1b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta2,a2a,a2b) + | N * OR(Tx4_1o,x4_1oa,x4_1ob,T,x3_0a,x3_0b,Ta3,a3a,a3b) + | N * THREEINPUTAND(Tx4_1o,x4_1oa,x4_1ob,T,x3_1a,x3_1b,Ta2,a2a,a2b,Ta4,a4a,a4b) + | N * AND(Ta1,a1a,a1b,Ta3,a3a,a3b,Ta5,a5a,a5b) + | N * OR(Ta4,a4a,a4b,Ta5,a5a,a5b,Tlsb_1,LSB_1a,LSB_1b) + | N * REPORTER(Tlsb_1,LSB_1a,LSB_1b))) +def LSB0(N) = + (( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * FANOUT(T,x4_0a,x4_0b,Tx4_0o,x4_0oa,x4_0ob,2.0) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta6,a6a,a6b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta7,a7a,a7b) + | N * AND(T,x3_1a,x3_1b,Tx4_0o,x4_0oa,x4_0ob,Ta8,a8a,a8b) + | N * THREEINPUTOR(Ta6,a6a,a6b,T,x3_0a,x3_0b,Tx4_0o,x4_0oa,x4_0ob,Ta9,a9a,a9b) + | N * OR(Ta7,a7a,a7b,Ta8,a8a,a8b,Ta10,a10a,a10b) + | N * AND(Ta9,a9a,a9b,Ta10,a10a,a10b,Tlsb_0,LSB_0a,LSB_0b) + | N * REPORTER(Tlsb_0,LSB_0a,LSB_0b))) +def M0() = +def M1() = +def L0() = +def L1() = +def SQUAREROOT(N) = + (( 0.0 * M0() + | 0.0 * M1() + | 0.0 * L0() + | 0.0 * L1() + | LSB0(N) + | LSB1(N) + | MSB(N))) +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized) Fanout.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized) Fanout.dna new file mode 100644 index 0000000..9c78072 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized) Fanout.dna @@ -0,0 +1,23 @@ +directive simulation {final=3600; points=2000; plots=[]; } +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( 0.0 * OUTPUT() +| 1.0 * INPUT() +| 1.0 * FANOUT(tA,Aa,Ab,tC,Ca,Cb,2.0) +| 10.0 * REPORTER(tC,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized) SQRT.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized) SQRT.dna new file mode 100644 index 0000000..cec70c7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - (localized) SQRT.dna @@ -0,0 +1,178 @@ +directive simulation {final=36000; points=2000; plots=[; ; ; ]; } +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def num = 15.0 +def Copies = 1000.0 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + (( ((1.0 - x) * ON) * STRAND(T,x_0a,x_0b) + | (x * ON) * STRAND(T,x_1a,x_1b))) +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def THREEINPUTOR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] + | {Ti3^*}[Input3a]:[Input3b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE(Ti, Inputa, Inputb, To, Outputa, Outputb) = ( {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + (( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def x1 = (((num + 1.0) / 2.0) - (num / 2.0)) +def x2 = ((((num / 2.0) + 1.0) / 2.0) - (num / 4.0)) +def x3 = ((((num / 4.0) + 1.0) / 2.0) - (num / 8.0)) +def x4 = ((((num / 8.0) + 1.0) / 2.0) - (num / 16.0)) +def MSB(N) = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new T @ untetheredbind, untetheredunbind + new Tmsb_0 @ tetheredbind, tetheredunbind + new Tmsb_1 @ tetheredbind, tetheredunbind + ( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,Tmsb_0,MSB_0a,MSB_0b) + | N * REPORTER(Tmsb_0,MSB_0a,MSB_0b) + | N * OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,Tmsb_1,MSB_1a,MSB_1b) + | N * REPORTER(Tmsb_1,MSB_1a,MSB_1b))) +def LSB1(N) = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new x4_1oa + new x4_1ob + new a1a + new a1b + new a2a + new a2b + new a3a + new a3b + new a4a + new a4b + new a5a + new a5b + new T @ untetheredbind, untetheredunbind + new Tx4_1o @ tetheredbind, tetheredunbind + new Ta1 @ tetheredbind, tetheredunbind + new Ta2 @ tetheredbind, tetheredunbind + new Ta3 @ tetheredbind, tetheredunbind + new Ta4 @ tetheredbind, tetheredunbind + new Ta5 @ tetheredbind, tetheredunbind + new Tlsb_1 @ tetheredbind, tetheredunbind + ( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * FANOUT(T,x4_1a,x4_1b,Tx4_1o,x4_1oa,x4_1ob,2.0) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta1,a1a,a1b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta2,a2a,a2b) + | N * OR(Tx4_1o,x4_1oa,x4_1ob,T,x3_0a,x3_0b,Ta3,a3a,a3b) + | N * THREEINPUTAND(Tx4_1o,x4_1oa,x4_1ob,T,x3_1a,x3_1b,Ta2,a2a,a2b,Ta4,a4a,a4b) + | N * AND(Ta1,a1a,a1b,Ta3,a3a,a3b,Ta5,a5a,a5b) + | N * OR(Ta4,a4a,a4b,Ta5,a5a,a5b,Tlsb_1,LSB_1a,LSB_1b) + | N * REPORTER(Tlsb_1,LSB_1a,LSB_1b))) +def LSB0(N) = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new x4_0oa + new x4_0ob + new a6a + new a6b + new a7a + new a7b + new a8a + new a8b + new a9a + new a9b + new a10a + new a10b + new T @ untetheredbind, untetheredunbind + new Tx4_0o @ tetheredbind, tetheredunbind + new Ta6 @ tetheredbind, tetheredunbind + new Ta7 @ tetheredbind, tetheredunbind + new Ta8 @ tetheredbind, tetheredunbind + new Ta9 @ tetheredbind, tetheredunbind + new Ta10 @ tetheredbind, tetheredunbind + new Tlsb_0 @ tetheredbind, tetheredunbind + ( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * FANOUT(T,x4_0a,x4_0b,Tx4_0o,x4_0oa,x4_0ob,2.0) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta6,a6a,a6b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta7,a7a,a7b) + | N * AND(T,x3_1a,x3_1b,Tx4_0o,x4_0oa,x4_0ob,Ta8,a8a,a8b) + | N * THREEINPUTOR(Ta6,a6a,a6b,T,x3_0a,x3_0b,Tx4_0o,x4_0oa,x4_0ob,Ta9,a9a,a9b) + | N * OR(Ta7,a7a,a7b,Ta8,a8a,a8b,Ta10,a10a,a10b) + | N * AND(Ta9,a9a,a9b,Ta10,a10a,a10b,Tlsb_0,LSB_0a,LSB_0b) + | N * REPORTER(Tlsb_0,LSB_0a,LSB_0b))) +def M0() = +def M1() = +def L0() = +def L1() = +def SQUAREROOT(N) = + (( 0.0 * M0() + | 0.0 * M1() + | 0.0 * L0() + | 0.0 * L1() + | LSB0(N) + | LSB1(N) + | MSB(N))) +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - And.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - And.dna new file mode 100644 index 0000000..5708197 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - And.dna @@ -0,0 +1,23 @@ +directive simulation {final=3600; points=2000; plots=[]; } +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( 0.0 * OUTPUT() +| 0.0 * INPUT_A() +| 0.0 * INPUT_B() +| 10.0 * AND(tA,Aa,Ab,tB,Ba,Bb,tC,Ca,Cb) +| 10.0 * REPORTER(tC,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - Fanout.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - Fanout.dna new file mode 100644 index 0000000..651a38a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - Fanout.dna @@ -0,0 +1,23 @@ +directive simulation {final=3600; points=2000; plots=[]; } +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def FANOUT(Ti, Ia, Ib, To, Oa, Ob) = + (( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( 0.0 * OUTPUT() +| 1.0 * INPUT() +| 1.0 * FANOUT(tA,Aa,Ab,tC,Ca,Cb) +| 10.0 * REPORTER(tC,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - Or.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - Or.dna new file mode 100644 index 0000000..fe7b3ca --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - Or.dna @@ -0,0 +1,25 @@ +directive simulation {final=3600; points=2000; plots=[]; } +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( 0.0 * OUTPUT() +| 0.0 * INPUT_A() +| 0.0 * INPUT_B() +| 10.0 * OR(tA,Aa,Ab,tB,Ba,Bb,tC,Ca,Cb) +| 10.0 * REPORTER(tC,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - SQRT.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - SQRT.dna new file mode 100644 index 0000000..4801ffd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Formal Analysis - SQRT.dna @@ -0,0 +1,81 @@ +directive simulation {final=36000; points=2000; plots=[; ; ; ]; } +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def num = 12.0 +def Copies = 20.0 +def ON = 20.0 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def STRAND(T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + (( ((1.0 - x) * ON) * STRAND(T,x_0a,x_0b) + | (x * ON) * STRAND(T,x_1a,x_1b))) +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def THREEINPUTOR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] + | {Ti3^*}[Input3a]:[Input3b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE(Ti, Inputa, Inputb, To, Outputa, Outputb) = ( {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + (( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def x1 = (((num + 1.0) / 2.0) - (num / 2.0)) +def x2 = ((((num / 2.0) + 1.0) / 2.0) - (num / 4.0)) +def x3 = ((((num / 4.0) + 1.0) / 2.0) - (num / 8.0)) +def x4 = ((((num / 8.0) + 1.0) / 2.0) - (num / 16.0)) +def MSB(N) = + (( N * AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,Tmsb_0,MSB_0a,MSB_0b) + | N * REPORTER(Tmsb_0,MSB_0a,MSB_0b) + | N * OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,Tmsb_1,MSB_1a,MSB_1b) + | N * REPORTER(Tmsb_1,MSB_1a,MSB_1b))) +def LSB1(N) = + (( N * FANOUT2(T,x4_1a,x4_1b,Tx4_1o,x4_1oa,x4_1ob) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta1,a1a,a1b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta2,a2a,a2b) + | N * OR(Tx4_1o,x4_1oa,x4_1ob,T,x3_0a,x3_0b,Ta3,a3a,a3b) + | N * THREEINPUTAND(Tx4_1o,x4_1oa,x4_1ob,T,x3_1a,x3_1b,Ta2,a2a,a2b,Ta4,a4a,a4b) + | N * AND(Ta1,a1a,a1b,Ta3,a3a,a3b,Ta5,a5a,a5b) + | N * OR(Ta4,a4a,a4b,Ta5,a5a,a5b,Tlsb_1,LSB_1a,LSB_1b) + | N * REPORTER(Tlsb_1,LSB_1a,LSB_1b))) +def LSB0(N) = + (( N * FANOUT2(T,x4_0a,x4_0b,Tx4_0o,x4_0oa,x4_0ob) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta6,a6a,a6b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta7,a7a,a7b) + | N * AND(T,x3_1a,x3_1b,Tx4_0o,x4_0oa,x4_0ob,Ta8,a8a,a8b) + | N * THREEINPUTOR(Ta6,a6a,a6b,T,x3_0a,x3_0b,Tx4_0o,x4_0oa,x4_0ob,Ta9,a9a,a9b) + | N * OR(Ta7,a7a,a7b,Ta8,a8a,a8b,Ta10,a10a,a10b) + | N * AND(Ta9,a9a,a9b,Ta10,a10a,a10b,Tlsb_0,LSB_0a,LSB_0b) + | N * REPORTER(Tlsb_0,LSB_0a,LSB_0b))) +def Input() = + (( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b))) +def M0() = +def M1() = +def L0() = +def L1() = +def SQUAREROOT(N) = + (( 0.0 * M0() + | 0.0 * M1() + | 0.0 * L0() + | 0.0 * L1() + | Input() + | LSB0(N) + | LSB1(N) + | MSB(N))) +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Kim et al., Mol Syst Biol 2011 - Oscillator.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Kim et al., Mol Syst Biol 2011 - Oscillator.dna new file mode 100644 index 0000000..33e47aa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Kim et al., Mol Syst Biol 2011 - Oscillator.dna @@ -0,0 +1,130 @@ +directive simulation {final=72000; plots=[T21(); T12()]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive parameters [ + kTA21 = 7.4E-05, {interval=Real; distribution=Uniform(7.4E-05,7.4E-05); variation=Fixed}; + kTA12 = 1.4E-05, {interval=Real; distribution=Uniform(1.4E-05,1.4E-05); variation=Fixed}; + kAI1 = 5.3E-05, {interval=Real; distribution=Uniform(5.3E-05,5.3E-05); variation=Fixed}; + krAI1 = 2.4E-05, {interval=Real; distribution=Uniform(2.4E-05,2.4E-05); variation=Fixed}; + kAI2 = 3.1E-05, {interval=Real; distribution=Uniform(3.1E-05,3.1E-05); variation=Fixed}; + kTAI21 = 2.8E-05, {interval=Real; distribution=Uniform(2.8E-05,2.8E-05); variation=Fixed}; + kTAI12 = 0.00014, {interval=Real; distribution=Uniform(0.00014,0.00014); variation=Fixed}; + kAIrA1 = 2.8E-05, {interval=Real; distribution=Uniform(2.8E-05,2.8E-05); variation=Fixed}; + cRNaseH = 15, {interval=Real; distribution=Uniform(15,15); variation=Fixed}; + cRNAP = 125, {interval=Real; distribution=Uniform(125,125); variation=Fixed}; + kRNAP = 0.0323, {interval=Real; distribution=Uniform(0.0323,0.0323); variation=Fixed}; + kRNaseH = 0.0196, {interval=Real; distribution=Uniform(0.0196,0.0196); variation=Fixed}; + S = 0.02, {interval=Real; distribution=Uniform(0.02,0.02); variation=Fixed}; +] +directive compilation infinite +directive polymers +dom ta2 = {bind = kTAI12; colour = "lightblue"} +dom a2 = {bind = kTA12; colour = "red"} +dom t = {bind = 0.0; colour = "blue"} +dom p = {bind = 0.0; colour = "purple"} +dom ta1 = {bind = kTAI21; colour = "darkgreen"} +dom a1 = {bind = kTA21; colour = "magenta"} +dom tdI1 = {bind = kAIrA1; colour = "black"} +dom AI1 = {bind = kAI1; subdomains = [ p; a1; ta1 ]} +dom AI2 = {bind = kAI2; subdomains = [ ta2; a2; t ]} +dom rAI1 = {bind = krAI1; subdomains = [ a1; ta1; tdI1 ]} +dom TA12 = {bind = kTA12; subdomains = [ a2; t ]} +dom TA21 = {bind = kTA21; subdomains = [ t*; p; a1 ]} +new RNaseH +new RNaseHA2rI2 +new RNaseHrA1dI1 +new RNAP +new RNAPT12A2 +new RNAPT21A1 +new RNAPT12 +new RNAPT21 +def RNaseH() = +def RNaseHA2rI2() = +def RNaseHrA1dI1() = +def RNAP() = +def RNAPT12A2() = +def RNAPT21A1() = +def RNAPT12() = +def RNAPT21() = +def rA1() = +def A1() = +def dI1() = +def A2() = +def rI2() = +def A2rI2() = [ta2^ a2^ t^] +def rA1dI1() = {p^*}[a1^ ta1^ tdI1^] +def A1dI1() = [p^ a1^ ta1^]{tdI1^*} +def T12() = [prom tra1 a1^ ta1^ tdI1^ t^ h] +def T12A2() = {ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h] +def T21() = [prom trI2 ta2^ a2^ t^ h] +def T21A1() = {ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h] +def T11A2() = {ta2^*}[a2^ t^]::[prom trI2 ta2^ a2^ t^ h] +def T11() = [prom trI2 ta2^ a2^ t^ h] +def kplus = 0.1 +def kplusH = 0.1 +def kminusON12 = 6.8 +def kminusOFF12 = 262.0 +def kminusON21 = 24.7 +def kminusOFF21 = 267.0 +def kminusH1 = 7.6 +def kminusH2 = 1.6 +def kcatON12 = 0.05 +def kcatOFF12 = 0.002 +def kcatON21 = 0.08 +def kcatOFF21 = 0.02 +def kcatH1 = 0.05 +def kcatH2 = 0.24 +def KMH1 = ((kminusH1 + kcatH1) / kplusH) +def KMH2 = ((kminusH2 + kcatH2) / kplusH) +def KMON12 = ((kminusON12 + kcatON12) / kplus) +def KMON21 = ((kminusON21 + kcatON21) / kplus) +def KMOFF12 = ((kminusOFF12 + kcatOFF12) / kplus) +def KMOFF21 = ((kminusOFF21 + kcatOFF21) / kplus) +def Activation() = + (( 120.0 * T11() + | 500.0 * A2() + | 0.0 * A2rI2() + | 0.0 * T11A2() + | rxn A2rI2() ->{kRNaseH} A2() + | rxn T11A2() ->{kRNAP} T11A2() + rI2() + | 0.0 * rI2())) +def RNaseH_enzymatic() = + (( 15.0 * RNaseH() + | rxn RNaseH() + A2rI2() <->{kplusH}{kminusH2} RNaseHA2rI2() + | rxn RNaseHA2rI2() ->{kcatH2} RNaseH() + A2() + | rxn RNaseH() + rA1dI1() <->{kplusH}{kminusH1} RNaseHrA1dI1() + | rxn RNaseHrA1dI1() ->{kcatH1} RNaseH() + dI1())) +def RNaseH_firstorder() = + (( rxn A2rI2() ->{((S * kcatH2) * (cRNaseH / KMH2))} A2() + | rxn rA1dI1() ->{((S * kcatH1) * (cRNaseH / KMH1))} dI1())) +def RNAP_enzymatic() = + (( 125.0 * RNAP() + | rxn RNAP() + T12A2() <->{kplus}{kminusON12} RNAPT12A2() + | rxn RNAPT12A2() ->{kcatON12} RNAP() + T12A2() + rA1() + | rxn RNAP() + T21A1() <->{kplus}{kminusON21} RNAPT21A1() + | rxn RNAPT21A1() ->{kcatON21} RNAP() + T21A1() + rI2() + | rxn RNAP() + T12() <->{kplus}{kminusOFF12} RNAPT12() + | rxn RNAPT12() ->{kcatOFF12} RNAP() + T12() + rA1() + | rxn RNAP() + T21() <->{kplus}{kminusOFF21} RNAPT21() + | rxn RNAPT21() ->{kcatOFF21} RNAP() + T21() + rI2())) +def RNAP_firstorder() = + (( rxn T12A2() ->{(kcatON12 * (cRNAP / (KMON12 + cRNAP)))} T12A2() + rA1() + | rxn T21A1() ->{(kcatON21 * (cRNAP / (KMON21 + cRNAP)))} T21A1() + rI2() + | rxn T12() ->{(kcatOFF12 * (cRNAP / (KMOFF12 + cRNAP)))} T12() + rA1() + | rxn T21() ->{(kcatOFF21 * (cRNAP / (KMOFF21 + cRNAP)))} T21() + rI2())) +def System() = + (( 120.0 * T12() + | 500.0 * A2() + | 250.0 * T21() + | 250.0 * A1() + | 1000.0 * dI1() + | 0.0 * rA1() + | 0.0 * rI2() + | 0.0 * A2rI2() + | 0.0 * T12A2() + | 0.0 * T21A1() + | 0.0 * rA1dI1() + | 0.0 * A1dI1() + | RNaseH_firstorder() + | RNAP_firstorder())) +System() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Remote transmission lines.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Remote transmission lines.dna new file mode 100644 index 0000000..14345b4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Remote transmission lines.dna @@ -0,0 +1,23 @@ +directive simulation {final=40000; plots=[input(); fuel(); probe(); reporter()]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive polymers +directive localconcentrations [(a, 100000); (b, 100000)] +dom a0 = {colour = "red"} +dom x = {colour = "green"} +dom y = {colour = "blue"} +dom r = {colour = "purple"} +dom Q = {colour = "black"} +dom F = {colour = "black"} +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami1() = [[ {tether(a) a0^*}[s]{y^> | {tether(a, b) x^*}[s]{y^> | {tether(b) x^*}[s]]] +def origami2() = [[ {tether(a) b0^*}[s]{y^> | {tether(a, b) x^*}[s]{y^> | {tether(b) x^*}[s]{r^>]] +def reporter() = {s F^} +( input() +| 4.0 * fuel() +| probe() +| origami1() +| origami2() +| 0.0 * reporter()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.dna new file mode 100644 index 0000000..c859f72 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.dna @@ -0,0 +1,21 @@ +directive simulation {final=40000; plots=[reporter()]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive polymers +directive localconcentrations [(a, 1000000); (b, 100000); (c, 1000000); (d, 100000)] +dom a0 = {colour = "red"} +dom x = {colour = "green"} +dom y = {colour = "blue"} +dom b0 = {colour = "purple"} +dom blank = {colour = "black"} +def input1() = +def input2() = +def fuel() = [s*]{x^> +def probe() = [s*]{F} +def reporter() = {s F} +def origami() = [[ {tether(a, b) a0^*}[s]{y^> | {tether(c, d) b0^*}[s]{y^> | {tether(a, c) x^*}[s]{blank^> | {tether(b, d) x^*}[s]{z^>]] +( input1() +| 2.0 * fuel() +| probe() +| 0.0 * reporter() +| origami()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Threshold spatial AND.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Threshold spatial AND.dna new file mode 100644 index 0000000..2fab705 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Threshold spatial AND.dna @@ -0,0 +1,17 @@ +directive simulation {final=10000; } +directive simulator deterministic +directive deterministic {stiff=true} +directive polymers +directive localconcentrations [(a, 1000000); (b, 100000); (c, 1000000); (d, 100000)] +dom a0 = {colour = "red"} +dom x = {colour = "green"} +dom y = {colour = "blue"} +dom b0 = {colour = "purple"} +dom blank = {colour = "black"} +def input1() = +def input2() = +def fuel() = [s*]{x^> +def origami() = [[ {tether(a, b) a0^*}[s]{y^> | {tether(c, d) b0^*}[s]{y^> | {tether(a, c) x^*}[s]{blank^> | {tether(b, d) x^*}[s]{y^>]] +( input1() +| 3.0 * fuel() +| origami()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Transmission lines.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Transmission lines.dna new file mode 100644 index 0000000..0255aa0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., DNA 2014 - Transmission lines.dna @@ -0,0 +1,21 @@ +directive simulation {final=40000; plots=[input(); fuel(); probe(); reporter()]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive polymers +directive localconcentrations [(a, 100000); (b, 100000)] +dom a0 = {colour = "red"} +dom x = {colour = "green"} +dom y = {colour = "blue"} +dom r = {colour = "purple"} +dom Q = {colour = "black"} +dom F = {colour = "black"} +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami() = [[ {tether(a) a0^*}[s]{y^> | {tether(a, b) x^*}[s]{y^> | {tether(b) x^*}[s]{r^>]] +def reporter() = {s F^} +( input() +| 2.0 * fuel() +| probe() +| origami() +| 0.0 * reporter()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Buffered oscillators.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Buffered oscillators.dna new file mode 100644 index 0000000..f832266 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Buffered oscillators.dna @@ -0,0 +1,34 @@ +directive simulation {final=250000; plots=[sum([<_ t^ A>]); sum([<_ t^ B>]); sum([<_ t^ C>]); {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I]]; } +directive stochastic {scale=100} +directive deterministic {reltolerance=0.0001} +def bind = 0.0003 +def unbind = 0.1126 +new t @ bind, unbind +def Species(M, h, A) = M * +def BJ2x2(Buffer, Fuel, Init, A, B, C, D) = + (new I + new J + new K + new Ch + new Dh + ( Buffer * {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * [K]{t^*} + | (Init * 10.0) * + | Init * )) +def Buffer = 100.0 +def Init = 10.0 +def Fuel = 1000.0 +new Ah +new A +new Bh +new B +new Ch +new C +( BJ2x2(Buffer,Fuel,Init,A,B,B,B) +| BJ2x2(Buffer,Fuel,Init,B,C,C,C) +| BJ2x2(Buffer,Fuel,Init,C,A,A,A) +| Species(2.0,Ah,A) +| Species(4.0,Bh,B) +| Species(2.0,Ch,C)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Join gates.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Join gates.dna new file mode 100644 index 0000000..358d8fc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Join gates.dna @@ -0,0 +1,35 @@ +directive simulation {final=2000000; plots=[sum([<_ t^ A>]); sum([<_ t^ B>]); sum([<_ t^ C>]); sum([<_ t^ D>]); ; {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I]]; } +directive stochastic {scale=100} +def bind = 0.0003 +def unbind = 0.1126 +new t @ bind, unbind +def Species(M, h, A) = M * +def BJ2x2(Buffer, Fuel, Init, A, B, C, D) = + (new I + new J + new K + new Ch + new Dh + ( Buffer * {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * [K]{t^*} + | (Init * 10.0) * + | Init * )) +def J2x2(Fuel, N, A, B, C, D) = + (new I + new J + new K + new Ch + new Dh + ( N * {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * {t^*}[K] + | (N * 10.0) * )) +def Buffer = 1000.0 +def Fuel = 1000.0 +def Init = 1.0 +( BJ2x2(Buffer,Fuel,Init,A,B,C,D) +| Species(1.0,hA,A) +| Species(1.0,hB,B)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Unbuffered oscillators.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Unbuffered oscillators.dna new file mode 100644 index 0000000..0316942 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin et al., Interface 2012 - Unbuffered oscillators.dna @@ -0,0 +1,31 @@ +directive simulation {final=5000000; points=5000; plots=[sum([<_ t^ A>]); sum([<_ t^ B>]); sum([<_ t^ C>]); {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^]; {t^*}[B t^]:[C t^]:[Ch t^]:[Dh t^]; {t^*}[C t^]:[A t^]:[Ch t^]:[Dh t^]]; } +directive simulator deterministic +directive stochastic {scale=100} +directive deterministic {stiff=true; reltolerance=0.0001} +def bind = 0.0003 +def unbind = 0.1126 +new t @ bind, unbind +def Species(M, h, A) = M * +def J2x2_NoGC(Fuel, N, A, B, C, D) = + (new I + new J + new K + new Ch + new Dh + ( N * {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^] + | Fuel * + | (N * 10.0) * )) +def N = 100.0 +def Fuel = 1000.0 +new Ah +new A +new Bh +new B +new Ch +new C +( J2x2_NoGC(Fuel,N,A,B,B,B) +| J2x2_NoGC(Fuel,N,B,C,C,C) +| J2x2_NoGC(Fuel,N,C,A,A,A) +| Species(2.0,Ah,A) +| Species(4.0,Bh,B) +| Species(2.0,Ch,C)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin, Parker et al., Interface 2012 - Model-checking examples.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin, Parker et al., Interface 2012 - Model-checking examples.dna new file mode 100644 index 0000000..820415b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Lakin, Parker et al., Interface 2012 - Model-checking examples.dna @@ -0,0 +1,55 @@ +directive simulation {final=300000; plots=[; ; ]; } +directive compilation infinite +def kt = 1000000.0 +def exp_DeltaG_over_RT = 3.75479E-07 +def bind = (kt * 1E-09) +def unbind = (kt * exp_DeltaG_over_RT) +new t @ bind, unbind +def S(N, x) = N * +def T(N, x, y) = + (new c + ( N * + | N * + | N * {t^*}[x t^]:[c]:[a t^]:[a] + | N * [x]:[t^ y]:[c]:[t^ a]{t^*})) +def T2(N, x, y) = + (new a + new c + ( N * + | N * + | N * {t^*}[x t^]:[c]:[a t^]:[a] + | N * [x]:[t^ y]:[c]:[t^ a]{t^*})) +def C(N, x, y, z) = + (new a + new c + ( N * {t^*}[x t^]:[y t^]:[c]:[a t^]:[a] + | N * + | N * [x]:[t^ z]:[c]:[t^ y]:[t^ a]{t^*} + | N * )) +def C_NoGC(N, x, y, z) = + (new a + new c + ( N * {t^*}[x t^]:[y t^]:[c]:[a t^] + | N * + | N * [t^ z]:[c]:[t^ y]:[t^ a]{t^*} + | N * )) +def C_NoGC_Constant(N, x, y, z) = + (new a + new c + ( constant N * {t^*}[x t^]:[y t^]:[c]:[a t^] + | constant N * + | constant N * + | constant N * [t^ z]:[c]:[t^ y]:[t^ a]{t^*} + | constant N * + | constant N * [t^ x]:[t^ y]:[t^ c a]{t^*} + | constant N * {t^*}[z c t^]:[y t^]:[a t^] + | constant N * + | constant N * + | constant N * )) +new x0 +new x1 +new x2 +def N = 1.0 +( S(N,x0) +| T(N,x0,x1) +| T(N,x1,x2)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - AND gate with nicks.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - AND gate with nicks.dna new file mode 100644 index 0000000..0e3e984 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - AND gate with nicks.dna @@ -0,0 +1,25 @@ +directive simulation {final=18000; plots=[]; } +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive leaks +directive leak (1E-09 * c) +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, sa, sb) = +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +new T @ (c * bind), unbind +( in1 * STRAND(T,Aa,Ab) +| in2 * STRAND(T,Ba,Bb) +| AND(T,Aa,Ab,T,Ba,Bb,T,Ca,Cb) +| REPORTER(T,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - AND gate.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - AND gate.dna new file mode 100644 index 0000000..d2cdb75 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - AND gate.dna @@ -0,0 +1,22 @@ +directive simulation {final=18000; plots=[]; } +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, s) = +def AND(Ti1, Input1, Ti2, Input2, To, Output) = {Ti1^*}[Input1 Ti2^]:[Input2 To^] +def REPORTER(Ti, Input) = {Ti^*}[Input] +new T @ (c0 * bind), unbind +( in1 * STRAND(T,A) +| in2 * STRAND(T,B) +| AND(T,A,T,B,T,C) +| REPORTER(T,C)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR gate with nicks.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR gate with nicks.dna new file mode 100644 index 0000000..4f5d476 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR gate with nicks.dna @@ -0,0 +1,26 @@ +directive simulation {final=18000; plots=[]; } +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive leaks +directive leak (1E-09 * c) +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, sa, sb) = +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +new T @ (c * bind), unbind +( in1 * STRAND(T,Aa,Ab) +| in2 * STRAND(T,Ba,Bb) +| OR(T,Aa,Ab,T,Ba,Bb,T,Ca,Cb) +| REPORTER(T,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR gate.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR gate.dna new file mode 100644 index 0000000..3b15d43 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR gate.dna @@ -0,0 +1,24 @@ +directive simulation {final=18000; plots=[]; } +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, s) = +def OR(Ti1, Input1, Ti2, Input2, To, Output) = + (( {Ti1^*}[Input1 To^] + | {Ti2^*}[Input2 To^])) +def REPORTER(Ti, Input) = {Ti^*}[Input] +new T @ (c0 * bind), unbind +( in1 * STRAND(T,A) +| in2 * STRAND(T,B) +| OR(T,A,T,B,T,C) +| REPORTER(T,C)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR of ANDs.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR of ANDs.dna new file mode 100644 index 0000000..54a6529 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - OR of ANDs.dna @@ -0,0 +1,33 @@ +directive simulation {final=720; plots=[]; } +directive simulator cme +directive parameters [ + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + sweep_1 = [c = [50; 500; 5000; 50000; 500000; 5000000]]; +] +directive compilation infinite +directive leaks +directive leak (1E-09 * c) +directive tau 1 +def Si1 = 0.0 +def Si2 = 0.0 +def Si3 = 0.0 +def Si4 = 1.0 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, sa, sb) = +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +new T @ (c * bind), unbind +( Si1 * STRAND(T,Aa,Ab) +| Si2 * STRAND(T,Ba,Bb) +| Si3 * STRAND(T,Ca,Cb) +| Si4 * STRAND(T,Da,Db) +| AND(T,Aa,Ab,T,Ba,Bb,T,Ea,Eb) +| AND(T,Ca,Cb,T,Da,Db,T,Fa,Fb) +| OR(T,Ea,Eb,T,Fa,Fb,T,Ga,Gb) +| REPORTER(T,Ga,Gb)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - Square root.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - Square root.dna new file mode 100644 index 0000000..037dd5a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - Square root.dna @@ -0,0 +1,223 @@ +directive simulation {final=5000; plots=[; ; ; ]; } +directive simulator cme +directive parameters [ + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + sweep_1 = [c = [50; 500; 5000; 50000]]; +] +directive compilation infinite +directive leaks +directive polymers +directive declare +directive leak (1E-09 * c) +directive tau 1 +def num = 0.0 +def x1 = (num % 2.0) +def r1 = ((num - x1) / 2.0) +def x2 = (r1 % 2.0) +def r2 = ((r1 - x2) / 2.0) +def x3 = (r2 % 2.0) +def r3 = ((r2 - x3) / 2.0) +def x4 = (r3 % 2.0) +def bind = 5E-05 +def unbind = 26.0 +def untetheredbind = (c * bind) +def untetheredunbind = unbind +def tetheredbind = (c * bind) +def tetheredunbind = unbind +def STRAND(T, sa, sb) = +def CIN = (c0 / c) +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + (( constant (CIN * (1.0 - x)) * STRAND(T,x_0a,x_0b) + | constant (CIN * x) * STRAND(T,x_1a,x_1b))) +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def THREEINPUTOR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] + | {Ti3^*}[Input3a]:[Input3b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE(Ti, Inputa, Inputb, To, Outputa, Outputb) = ( {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def MSB1() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new MSB_1a + new MSB_1b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,T,MSB_1a,MSB_1b) + | REPORTER(T,MSB_1a,MSB_1b))) +def MSB0() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new MSB_0a + new MSB_0b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,T,MSB_0a,MSB_0b) + | REPORTER(T,MSB_0a,MSB_0b))) +def MSB() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new MSB_0a + new MSB_0b + new MSB_1a + new MSB_1b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,T,MSB_0a,MSB_0b) + | REPORTER(T,MSB_0a,MSB_0b) + | OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,T,MSB_1a,MSB_1b) + | REPORTER(T,MSB_1a,MSB_1b))) +def LSB1() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new x4_1oa + new x4_1ob + new LSB_1a + new LSB_1b + new a1a + new a1b + new a2a + new a2b + new a3a + new a3b + new a4a + new a4b + new a5a + new a5b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | FANOUT(T,x4_1a,x4_1b,T,x4_1oa,x4_1ob,2.0) + | OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,T,a1a,a1b) + | AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,T,a2a,a2b) + | OR(T,x4_1oa,x4_1ob,T,x3_0a,x3_0b,T,a3a,a3b) + | THREEINPUTAND(T,x4_1oa,x4_1ob,T,x3_1a,x3_1b,T,a2a,a2b,T,a4a,a4b) + | AND(T,a1a,a1b,T,a3a,a3b,T,a5a,a5b) + | OR(T,a4a,a4b,T,a5a,a5b,T,LSB_1a,LSB_1b) + | REPORTER(T,LSB_1a,LSB_1b))) +def LSB0() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new x4_0oa + new x4_0ob + new LSB_0a + new LSB_0b + new a6a + new a6b + new a7a + new a7b + new a8a + new a8b + new a9a + new a9b + new a10a + new a10b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | FANOUT(T,x4_0a,x4_0b,T,x4_0oa,x4_0ob,2.0) + | OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,T,a6a,a6b) + | AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,T,a7a,a7b) + | AND(T,x3_1a,x3_1b,T,x4_0oa,x4_0ob,T,a8a,a8b) + | THREEINPUTOR(T,a6a,a6b,T,x3_0a,x3_0b,T,x4_0oa,x4_0ob,T,a9a,a9b) + | OR(T,a7a,a7b,T,a8a,a8b,T,a10a,a10b) + | AND(T,a9a,a9b,T,a10a,a10b,T,LSB_0a,LSB_0b) + | REPORTER(T,LSB_0a,LSB_0b))) +def SQUAREROOT() = + (( LSB0() + | LSB1() + | MSB())) +LSB1() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - Wires.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - Wires.dna new file mode 100644 index 0000000..786bcc0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Localization - Wires.dna @@ -0,0 +1,125 @@ +directive simulation {final=10000; plots=[]; } +directive simulator cme +directive parameters [ + length = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + sweep_1 = [length = [0; 1; 2; 3; 4; 5; 6; 7; 8; 9]]; +] +directive compilation infinite +directive leaks +directive leak (1E-09 * c) +directive tau 1 +def num = (2.0 ** length) +def x0 = (num % 2.0) +def r0 = ((num - x0) / 2.0) +def x1 = (r0 % 2.0) +def r1 = ((r0 - x1) / 2.0) +def x2 = (r1 % 2.0) +def r2 = ((r1 - x2) / 2.0) +def x3 = (r2 % 2.0) +def r3 = ((r2 - x3) / 2.0) +def x4 = (r3 % 2.0) +def r4 = ((r3 - x4) / 2.0) +def x5 = (r4 % 2.0) +def r5 = ((r4 - x5) / 2.0) +def x6 = (r5 % 2.0) +def r6 = ((r5 - x6) / 2.0) +def x7 = (r6 % 2.0) +def r7 = ((r6 - x7) / 2.0) +def x8 = (r7 % 2.0) +def r8 = ((r7 - x8) / 2.0) +def x9 = (r8 % 2.0) +def r9 = ((r8 - x9) / 2.0) +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, sa, sb) = +def WIRE(T, Inputa, Inputb, To, Outputa, Outputb) = ( {T^*}[Inputa]:[Inputb To^]) +def REPORTER(T, Inputa, Inputb) = {T^*}[Inputa Inputb] +new T @ (c * bind), unbind +def WIRES0() = + (( STRAND(T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES1() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES2() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES3() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES4() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES5() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES6() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,fa,fb) + | WIRE(T,fa,fb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES7() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,fa,fb) + | WIRE(T,fa,fb,T,ga,gb) + | WIRE(T,ga,gb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES8() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,fa,fb) + | WIRE(T,fa,fb,T,ga,gb) + | WIRE(T,ga,gb,T,ha,hb) + | WIRE(T,ha,hb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES9() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,fa,fb) + | WIRE(T,fa,fb,T,ga,gb) + | WIRE(T,ga,gb,T,ha,hb) + | WIRE(T,ha,hb,T,ia,ib) + | WIRE(T,ia,ib,T,ra,rb) + | REPORTER(T,ra,rb))) +( x0 * WIRES0() +| x1 * WIRES1() +| x2 * WIRES2() +| x3 * WIRES3() +| x4 * WIRES4() +| x5 * WIRES5() +| x6 * WIRES6() +| x7 * WIRES7() +| x8 * WIRES8() +| x9 * WIRES9()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Montagne et al., Mol Syst Biol 2011 - Oscillator.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Montagne et al., Mol Syst Biol 2011 - Oscillator.dna new file mode 100644 index 0000000..fe54854 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Montagne et al., Mol Syst Biol 2011 - Oscillator.dna @@ -0,0 +1,62 @@ +directive simulation {final=100000; plots=[A(); B(); Inh()]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive parameters [ + ka = 0.00043333, {interval=Real; distribution=Uniform(0.00043333,0.00043333); variation=Fixed}; + kda = 0.0383, {interval=Real; distribution=Uniform(0.0383,0.0383); variation=Fixed}; + kdb = 0.0135, {interval=Real; distribution=Uniform(0.0135,0.0135); variation=Fixed}; + kdInhT1 = 9.5E-05, {interval=Real; distribution=Uniform(9.5E-05,9.5E-05); variation=Fixed}; + kdInhT3 = 3.5E-05, {interval=Real; distribution=Uniform(3.5E-05,3.5E-05); variation=Fixed}; + kpol = 0.2833, {interval=Real; distribution=Uniform(0.2833,0.2833); variation=Fixed}; + kIpol = 0.115, {interval=Real; distribution=Uniform(0.115,0.115); variation=Fixed}; + knick = 0.05, {interval=Real; distribution=Uniform(0.05,0.05); variation=Fixed}; + kexoa = 0.0053, {interval=Real; distribution=Uniform(0.0053,0.0053); variation=Fixed}; + kexob = 0.0062, {interval=Real; distribution=Uniform(0.0062,0.0062); variation=Fixed}; + kexoInh = 0.02, {interval=Real; distribution=Uniform(0.02,0.02); variation=Fixed}; + ku = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; +] +directive unproductive +dom a = {bind = ka; unbind = kda; colour = "red"} +dom b = {bind = ka; unbind = kdb; colour = "green"} +dom inh = {bind = ka; unbind = kdInhT3; colour = "blue"} +def Signal(x) = +def Primed(x, y) = [x^]{y^*} +def Extended(x, y) = [x^ y^] +def Template(x, y) = {x^* y^*} +def LHTemplate(x, y) = [x^]{y^*} +def RHTemplate(x, y) = {x^*}[y^] +def Nicked(x, y) = [x^]:[y^] +def Inhibited(x, y) = [y^ x^ y^] +def Activation(N, x, y, kp, kn) = + (( N * Template(x,y) + | rxn Primed(x,y) ->{kp} Extended(x,y) + | rxn Extended(x,y) ->{kn} Nicked(x,y) + | rxn Nicked(x,y) ->{kp} Extended(x,y) + Signal(y) + | 0.0 * Primed(x,y) + | 0.0 * Extended(x,y) + | 0.0 * Nicked(x,y))) +def Repression(N, x, y, kp, kn) = + (( Activation(N,y,y,kp,kn) + | rxn Signal(x) + Template(y,y) <->{ka}{kdInhT1} Inhibited(x,y) + | rxn Signal(x) + LHTemplate(y,y) <->{ka}{ku} Inhibited(x,y) + Signal(y) + | rxn Signal(x) + RHTemplate(y,y) <->{ka}{ku} Inhibited(x,y) + Signal(y) + | 0.0 * Inhibited(x,y))) +def Exo(x, k) = ( rxn Signal(x) ->{k} ) +def A() = Signal(a) +def B() = Signal(b) +def Inh() = Signal(inh) +def Oscillator() = + (( 0.1 * A() + | 0.1 * B() + | 0.1 * Inh() + | Activation(5.0,a,b,kpol,knick) + | Activation(30.0,b,inh,kIpol,knick) + | Repression(30.0,inh,a,kpol,knick) + | Exo(a,kexoa) + | Exo(b,kexob) + | Exo(inh,kexoInh))) +def Catalysis() = + (( 0.1 * A() + | 0.1 * B() + | Activation(5.0,a,b,kpol,knick))) +Oscillator() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Nature Nanotech 2013 - Consensus Modules.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Nature Nanotech 2013 - Consensus Modules.dna new file mode 100644 index 0000000..3981087 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Nature Nanotech 2013 - Consensus Modules.dna @@ -0,0 +1,301 @@ +directive simulation {final=43200; plots=[; ; ]; } +directive simulator deterministic +directive parameters [ + ka = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + kq = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + kr = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + kb = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + kc = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ua = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + ub = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + ur = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uq = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uc = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + kt = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ku1 = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ku2 = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ku3 = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ut = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uu1 = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uu2 = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uu3 = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + X = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; + NG = 75, {interval=Real; distribution=Uniform(75,75); variation=Fixed}; + NH = 100, {interval=Real; distribution=Uniform(100,100); variation=Fixed}; + NR = 150, {interval=Real; distribution=Uniform(150,150); variation=Fixed}; + Xv = 40, {interval=Real; distribution=Uniform(40,40); variation=Fixed}; + NGv = 120, {interval=Real; distribution=Uniform(120,120); variation=Fixed}; + NHv = 120, {interval=Real; distribution=Uniform(120,120); variation=Fixed}; + NRv = 120, {interval=Real; distribution=Uniform(120,120); variation=Fixed}; + Xh = 10, {interval=Real; distribution=Uniform(10,10); variation=Fixed}; + NGh = 15, {interval=Real; distribution=Uniform(15,15); variation=Fixed}; + NHh = 20, {interval=Real; distribution=Uniform(20,20); variation=Fixed}; + NRh = 30, {interval=Real; distribution=Uniform(30,30); variation=Fixed}; + Xi = 10, {interval=Real; distribution=Uniform(10,10); variation=Fixed}; + NGi = 30, {interval=Real; distribution=Uniform(30,30); variation=Fixed}; + NHi = 30, {interval=Real; distribution=Uniform(30,30); variation=Fixed}; + NRi = 30, {interval=Real; distribution=Uniform(30,30); variation=Fixed}; + NMi = 100, {interval=Real; distribution=Uniform(100,100); variation=Fixed}; + Xr = 1, {interval=Real; distribution=Uniform(1,1); variation=Fixed}; + NRr = 3, {interval=Real; distribution=Uniform(3,3); variation=Fixed}; + Xm = 40, {interval=Real; distribution=Uniform(40,40); variation=Fixed}; + NGm = 80, {interval=Real; distribution=Uniform(80,80); variation=Fixed}; + NHm = 80, {interval=Real; distribution=Uniform(80,80); variation=Fixed}; + NRm = 120, {interval=Real; distribution=Uniform(120,120); variation=Fixed}; + leakXY2B_J = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badXY2B_X = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakXY2B_F = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badXY2B_Y = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakBX2X_J = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badBX2X_B = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakBX2X_F = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badBX2X_X = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakBY2Y_J = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badBY2Y_B = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakBY2Y_F = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badBY2Y_Y = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_B = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_B = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_X = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_X = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_H = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_H = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_B = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_B = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_Y = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_Y = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_H = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_H = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_X = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_X = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_Y = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_Y = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_H = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_H = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2B_R = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2B_R = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2B_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2B_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2B_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2B_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2X_R = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2X_R = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2X_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2X_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2X_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2X_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2Y_R = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2Y_R = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2Y_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2Y_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2Y_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2Y_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; +] +directive compilation infinite +directive declare +new fl @ 0.0, 0.0 +def Input(ta, a) = +def Catalyst(tb, b) = +def Helper(tr, r) = +def Output(tc, c) = +def Translator(r, tq) = +def InputR(a, tb) = +def OutputR(c, tr) = +def CatalystR(b, tr) = +def Output1R(b, tr) = +def Output2R(c, tb) = +def Output3R(d, tc) = +def End(i, tc) = +def Signal_Fork(c, fl) = +def Signal_Join(fl, r) = +def Rep_Fork(tc, c) = {tc^*}[c] +def Rep_Join(r, tq) = [r]{tq^*} +def Join_AB(ta, a, tb, b, tr, r, tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join_ABRev(ta, a, tb, b, tr, r, tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork_C(i, tc, c, tr, r, tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i, tc, c, tb, b, tr, r, tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i, td, d, tc, c, tb, b, tr, r, tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Join(NA, NB, NH, NG, NV, Leak, ta, a, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Join_AB(ta,a,tb,b,tr,r,tq) + | (NG * Leak) * Translator(r,tq) + | NA * Input(ta,a) + | NB * Catalyst(tb,b) + | NH * Helper(tr,r) + | NV * InputR(a,tb) + | NV * CatalystR(b,tr))) +def JoinRev(NA, NB, NH, NG, NV, Leak, ta, a, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Join_ABRev(ta,a,tb,b,tr,r,tq) + | (NG * Leak) * Input(ta,a) + | NA * Translator(r,tq) + | NB * CatalystR(b,tr) + | NH * InputR(a,tb) + | NV * Helper(tr,r) + | NV * Catalyst(tb,b))) +def Fork(N, NH1, NH2, NG, Leak, i, tc, c, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Fork_C(i,tc,c,tr,r,tq) + | (NG * Leak) * Output(tc,c) + | N * Translator(r,tq) + | NH1 * OutputR(c,tr) + | NH2 * End(i,tc) + | 0.0 * Helper(tr,r))) +def Fork2(N, NH1, NH2, NH3, NG, Leak, i, tc, c, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Fork_BC(i,tc,c,tb,b,tr,r,tq) + | (NG * Leak) * Output(tc,c) + | N * Translator(r,tq) + | NH1 * CatalystR(b,tr) + | NH2 * OutputR(c,tb) + | NH3 * End(i,tc) + | 0.0 * Helper(tr,r) + | 0.0 * Catalyst(tb,b))) +def Fork3(N, NH1, NH2, NH3, NH4, NG, Leak, i, td, d, tc, c, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) + | N * Translator(r,tq) + | NH1 * Output1R(b,tr) + | NH2 * Output2R(c,tb) + | NH3 * Output3R(d,tc) + | NH4 * End(i,td) + | 0.0 * Helper(tr,r))) +def RepJoin(N, NR, r, tq) = + (( N * Translator(r,tq) + | NR * Rep_Join(r,tq) + | 0.0 * Signal_Join(fl,r))) +def RepFork(N, NR, tc, c) = + (( N * Output(tc,c) + | NR * Rep_Fork(tc,c) + | 0.0 * Signal_Fork(c,fl))) +dom t = {seq = CTGATC; bind = kt; unbind = ut} +dom u1 = {seq = CTTCAG; bind = ku1; unbind = ut} +dom u2 = {seq = CCATAC; bind = ku2; unbind = ut} +dom u3 = {seq = ATACCC; bind = ku3; unbind = ut} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} +def RepJoinBX(NR) = RepJoin(0.0,NR,rbx,u1) +def RepJoinBY(NR) = RepJoin(0.0,NR,rby,u1) +def RepJoinXY(NR) = RepJoin(0.0,NR,rxy,u1) +def RepJoinRevB(NR) = RepFork(0.0,NR,t,b) +def RepJoinRevX(NR) = RepFork(0.0,NR,t,x) +def JoinBX(NB, NX, NH, NG, Leak) = Join(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB, NY, NH, NG, Leak) = Join(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX, NY, NH, NG, Leak) = Join(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def JoinBXRev(NB, NX, NH, NG, Leak) = JoinRev(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBYRev(NB, NY, NH, NG, Leak) = JoinRev(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXYRev(NX, NY, NH, NG, Leak) = JoinRev(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def Fork2B(NT, NH1, NH2, NH3, NH4, NG, Leak, NR) = + (( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) + | RepFork((NG * Leak),NR,u3,pb))) +def ForkXY2B(NT, NH1, NH2, NH3, NH4, NG, Leak, NR) = + (( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) + | RepFork((NG * Leak),NR,t,b))) +def Fork2X(NT, NH1, NH2, NH3, NH4, NG, Leak, NR) = + (( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1) + | RepFork((NG * Leak),NR,u3,px))) +def Fork2Y(NT, NH1, NH2, NH3, NH4, NG, Leak, NR) = + (( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1) + | RepFork((NG * Leak),NR,u3,py))) +def JoinBX_AddB(N) = + (( JoinBX(((N * Xi) * (1.0 - badJoinBX_B)),NMi,NMi,NGi,leakJoinBX_B) + | RepJoinBX(NRi))) +def JoinBX_AddX(N) = + (( JoinBX(NMi,((N * Xi) * (1.0 - badJoinBX_X)),NMi,NGi,leakJoinBX_X) + | RepJoinBX(NRi))) +def JoinBX_AddH(N) = + (( JoinBX(NMi,NMi,((N * Xi) * (1.0 - badJoinBX_H)),NGi,leakJoinBX_H) + | RepJoinBX(NRi))) +def JoinBY_AddB(N) = + (( JoinBY(((N * Xi) * (1.0 - badJoinBY_B)),NMi,NMi,NGi,leakJoinBY_B) + | RepJoinBY(NRi))) +def JoinBY_AddY(N) = + (( JoinBY(NMi,((N * Xi) * (1.0 - badJoinBY_Y)),NMi,NGi,leakJoinBY_Y) + | RepJoinBY(NRi))) +def JoinBY_AddH(N) = + (( JoinBY(NMi,NMi,((N * Xi) * (1.0 - badJoinBY_H)),NGi,leakJoinBY_H) + | RepJoinBY(NRi))) +def JoinXY_AddX(N) = + (( JoinXY(((N * Xi) * (1.0 - badJoinXY_X)),NMi,NMi,NGi,leakJoinXY_X) + | RepJoinXY(NRi))) +def JoinXY_AddY(N) = + (( JoinXY(NMi,((N * Xi) * (1.0 - badJoinXY_Y)),NMi,NGi,leakJoinXY_Y) + | RepJoinXY(NRi))) +def JoinXY_AddH(N) = + (( JoinXY(NMi,NMi,((N * Xi) * (1.0 - badJoinXY_H)),NGi,leakJoinXY_H) + | RepJoinXY(NRi))) +def Fork2B_AddR(N) = ( Fork2B(((N * Xi) * (1.0 - badFork2B_R)),NMi,NMi,NMi,NMi,NGi,leakFork2B_R,NRi)) +def Fork2B_AddH1(N) = ( Fork2B(NMi,((N * Xi) * (1.0 - badFork2B_H1)),NMi,NMi,NMi,NGi,leakFork2B_H1,NRi)) +def Fork2B_AddH2(N) = ( Fork2B(NMi,NMi,((N * Xi) * (1.0 - badFork2B_H2)),NMi,NMi,NGi,leakFork2B_H2,NRi)) +def Fork2X_AddR(N) = ( Fork2X(((N * Xi) * (1.0 - badFork2X_R)),NMi,NMi,NMi,NMi,NGi,leakFork2X_R,NRi)) +def Fork2X_AddH1(N) = ( Fork2X(NMi,((N * Xi) * (1.0 - badFork2X_H1)),NMi,NMi,NMi,NGi,leakFork2X_H1,NRi)) +def Fork2X_AddH2(N) = ( Fork2X(NMi,NMi,((N * Xi) * (1.0 - badFork2X_H2)),NMi,NMi,NGi,leakFork2X_H2,NRi)) +def Fork2Y_AddR(N) = ( Fork2Y(((N * Xi) * (1.0 - badFork2Y_R)),NMi,NMi,NMi,NMi,NGi,leakFork2Y_R,NRi)) +def Fork2Y_AddH1(N) = ( Fork2Y(NMi,((N * Xi) * (1.0 - badFork2Y_H1)),NMi,NMi,NMi,NGi,leakFork2Y_H1,NRi)) +def Fork2Y_AddH2(N) = ( Fork2Y(NMi,NMi,((N * Xi) * (1.0 - badFork2Y_H2)),NMi,NMi,NGi,leakFork2Y_H2,NRi)) +def JoinBX_AddRev1(N) = + (( JoinBXRev(NMi,NMi,((N * Xi) * (1.0 - badJoinBX_R1)),NGi,leakJoinBX_R1) + | RepJoinRevB(NRi))) +def JoinBX_AddRev2(N) = + (( JoinBXRev(NMi,((N * Xi) * (1.0 - badJoinBX_R2)),NMi,NGi,leakJoinBX_R2) + | RepJoinRevB(NRi))) +def JoinBX_AddRev3(N) = + (( JoinBXRev(((N * Xi) * (1.0 - badJoinBX_R3)),NMi,NMi,NGi,leakJoinBX_R3) + | RepJoinRevB(NRi))) +def JoinBY_AddRev1(N) = + (( JoinBYRev(NMi,NMi,((N * Xi) * (1.0 - badJoinBY_R1)),NGi,leakJoinBY_R1) + | RepJoinRevB(NRi))) +def JoinBY_AddRev2(N) = + (( JoinBYRev(NMi,((N * Xi) * (1.0 - badJoinBY_R2)),NMi,NGi,leakJoinBY_R2) + | RepJoinRevB(NRi))) +def JoinBY_AddRev3(N) = + (( JoinBYRev(((N * Xi) * (1.0 - badJoinBY_R3)),NMi,NMi,NGi,leakJoinBY_R3) + | RepJoinRevB(NRi))) +def JoinXY_AddRev1(N) = + (( JoinXYRev(NMi,NMi,((N * Xi) * (1.0 - badJoinXY_R1)),NGi,leakJoinXY_R1) + | RepJoinRevX(NRi))) +def JoinXY_AddRev2(N) = + (( JoinXYRev(NMi,((N * Xi) * (1.0 - badJoinXY_R2)),NMi,NGi,leakJoinXY_R2) + | RepJoinRevX(NRi))) +def JoinXY_AddRev3(N) = + (( JoinXYRev(((N * Xi) * (1.0 - badJoinXY_R3)),NMi,NMi,NGi,leakJoinXY_R3) + | RepJoinRevX(NRi))) +def XY2B(Nx, Ny, X, NH, NG, NR) = + (( JoinXY(((X * Nx) * (1.0 - badXY2B_X)),((X * Ny) * (1.0 - badXY2B_Y)),NH,NG,leakXY2B_J) + | ForkXY2B(0.0,NH,NH,NH,NH,NG,leakXY2B_F,NR))) +def BX2X(N, X, NH, NG, NR) = + (( JoinBX((X * (1.0 - badBX2X_B)),((X * N) * (1.0 - badBX2X_B)),NH,NG,leakBX2X_J) + | Fork2X(0.0,NH,NH,NH,NH,NG,leakBX2X_F,NR))) +def BY2Y(N, X, NH, NG, NR) = + (( JoinBY((X * (1.0 - badBY2Y_B)),((X * N) * (1.0 - badBY2Y_B)),NH,NG,leakBY2Y_J) + | Fork2Y(0.0,NH,NH,NH,NH,NG,leakBY2Y_F,NR))) +def AM(Nx, Ny) = + (( XY2B(Nx,Ny,Xm,NHm,NGm,NRm) + | BX2X(0.0,0.0,NHm,NGm,NRm) + | BY2Y(0.0,0.0,(NHm * 1.2),(NGm * 1.2),NRm) + | (NHm * 0.8) * )) +def N = 0.4 +def Nx = 0.3 +def Ny = 0.7 +JoinBX_AddRev3(N) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Nature Nanotech 2013 - Consensus Parameterized.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Nature Nanotech 2013 - Consensus Parameterized.dna new file mode 100644 index 0000000..8443080 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Nature Nanotech 2013 - Consensus Parameterized.dna @@ -0,0 +1,118 @@ +directive simulation {final=54000; points=500; plots=[; ; ]; } +directive simulator deterministic +directive parameters [ + kF1_YY = 4.3095E-06, {interval=Real; distribution=Uniform(4.3095E-06,4.3095E-06); variation=Fixed}; + kJ1 = 7.9236E-06, {interval=Real; distribution=Uniform(7.9236E-06,7.9236E-06); variation=Fixed}; + kJ1r = 8.2974E-05, {interval=Real; distribution=Uniform(8.2974E-05,8.2974E-05); variation=Fixed}; + kJ2 = 0.00012138, {interval=Real; distribution=Uniform(0.00012138,0.00012138); variation=Fixed}; + kJ2r = 1.0223E-06, {interval=Real; distribution=Uniform(1.0223E-06,1.0223E-06); variation=Fixed}; + kJ3 = 0.0005016, {interval=Real; distribution=Uniform(0.0005016,0.0005016); variation=Fixed}; + kJ3r = 1.0123E-06, {interval=Real; distribution=Uniform(1.0123E-06,1.0123E-06); variation=Fixed}; + kF1 = 1.2721E-05, {interval=Real; distribution=Uniform(1.2721E-05,1.2721E-05); variation=Fixed}; + kF1r = 0.00023276, {interval=Real; distribution=Uniform(0.00023276,0.00023276); variation=Fixed}; + kF2 = 5.653E-05, {interval=Real; distribution=Uniform(5.653E-05,5.653E-05); variation=Fixed}; + kF2r = 0.00012561, {interval=Real; distribution=Uniform(0.00012561,0.00012561); variation=Fixed}; + kF3 = 7.4418E-05, {interval=Real; distribution=Uniform(7.4418E-05,7.4418E-05); variation=Fixed}; + kF3r = 1.0293E-06, {interval=Real; distribution=Uniform(1.0293E-06,1.0293E-06); variation=Fixed}; + kF4 = 1.3428E-06, {interval=Real; distribution=Uniform(1.3428E-06,1.3428E-06); variation=Fixed}; + kF5 = 0.00097709, {interval=Real; distribution=Uniform(0.00097709,0.00097709); variation=Fixed}; + X = 80, {interval=Real; distribution=Uniform(80,80); variation=Fixed}; + NG = 160, {interval=Real; distribution=Uniform(160,160); variation=Fixed}; + NH = 160, {interval=Real; distribution=Uniform(160,160); variation=Fixed}; + Nx = 0.7, {interval=Real; distribution=Uniform(0.7,0.7); variation=Fixed}; + leakXY2B_J = 0.0172, {interval=Real; distribution=Uniform(0.0172,0.0172); variation=Fixed}; + leakXY2B_F = 0.009, {interval=Real; distribution=Uniform(0.009,0.009); variation=Fixed}; + leakBX2X_J = 0.0114, {interval=Real; distribution=Uniform(0.0114,0.0114); variation=Fixed}; + leakBX2X_F = 2.2677E-06, {interval=Real; distribution=Uniform(2.2677E-06,2.2677E-06); variation=Fixed}; + leakBY2Y_J = 0.0105, {interval=Real; distribution=Uniform(0.0105,0.0105); variation=Fixed}; + leakBY2Y_F = 0.0154, {interval=Real; distribution=Uniform(0.0154,0.0154); variation=Fixed}; + badXY2B_X = 3.5686E-05, {interval=Real; distribution=Uniform(3.5686E-05,3.5686E-05); variation=Fixed}; + badXY2B_Y = 7.6834E-05, {interval=Real; distribution=Uniform(7.6834E-05,7.6834E-05); variation=Fixed}; + badBX2X_B = 0.1504, {interval=Real; distribution=Uniform(0.1504,0.1504); variation=Fixed}; + badBX2X_X = 0.1195, {interval=Real; distribution=Uniform(0.1195,0.1195); variation=Fixed}; + badBY2Y_B = 1.0204E-05, {interval=Real; distribution=Uniform(1.0204E-05,1.0204E-05); variation=Fixed}; + badBY2Y_Y = 0.25, {interval=Real; distribution=Uniform(0.25,0.25); variation=Fixed}; +] +directive sweeps [ + mysweep = [Nx = [0.1; 0.2; 0.3; 0.4; 0.5; 0.6; 0.7; 0.8; 0.9]]; +] +directive compilation infinite +directive declare +new t @ 0.0, 0.0 +new u1 @ 0.0, 0.0 +new u2 @ 0.0, 0.0 +new u3 @ 0.0, 0.0 +new b +new x +new y +new rbx +new rby +new rxy +new pb +new px +new py +new ig +new fl @ 0.0, 0.0 +def Input(ta, a) = +def Catalyst(tb, b) = +def Helper(tr, r) = +def Translator(r, tq) = +def Output1R(b, tr) = +def Output2R(c, tb) = +def Output3R(d, tc) = +def End(i, tc) = +def Signal_Fork(c, fl) = +def Signal_Join(fl, r) = +def Join(ta, a, tb, b, tr, r, tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join1(ta, a, tb, b, tr, r, tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join2(ta, a, tb, b, tr, r, tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join3(ta, a, tb, b, tr, r, tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork(i, td, d, tc, c, tb, b, tr, r, tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork1(i, td, d, tc, c, tb, b, tr, r, tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork2(i, td, d, tc, c, tb, b, tr, r, tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork3(i, td, d, tc, c, tb, b, tr, r, tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork4(i, td, d, tc, c, tb, b, tr, r, tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork5(i, td, d, tc, c, tb, b, tr, r, tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] +def JoinAB(NA, NB, NH, NG, NV, Leak, ta, a, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Join(ta,a,tb,b,tr,r,tq) + | (NG * Leak) * Translator(r,tq) + | NA * Input(ta,a) + | NB * Catalyst(tb,b) + | NH * Helper(tr,r) + | rxn + Join(ta,a,tb,b,tr,r,tq) <->{kJ1}{kJ1r} + Join1(ta,a,tb,b,tr,r,tq) + | rxn + Join1(ta,a,tb,b,tr,r,tq) <->{kJ2}{kJ2r} + Join2(ta,a,tb,b,tr,r,tq) + | rxn + Join2(ta,a,tb,b,tr,r,tq) <->{kJ3}{kJ3r} + Join3(ta,a,tb,b,tr,r,tq))) +def ForkXYZ(N, NH1, NH2, NH3, NH4, NG, Leak, i, tz, z, ty, y, tx, x, tr, r, tq, k1) = + (( (NG * (1.0 - Leak)) * Fork(i,tz,z,ty,y,tx,x,tr,r,tq) + | N * Translator(r,tq) + | NH1 * Output1R(x,tr) + | NH2 * Output2R(y,tx) + | NH3 * Output3R(z,ty) + | NH4 * End(i,tz) + | rxn + Fork(i,tz,z,ty,y,tx,x,tr,r,tq) <->{k1}{kF1r} + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) + | rxn + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF2}{kF2r} + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) + | rxn + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF3}{kF3r} + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) + | rxn + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF4}{kF2r} + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) + | rxn + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) ->{kF5} Fork5(i,tz,z,ty,y,tx,x,tr,r,tq) + )) +def JoinBX(NB, NX, NH, NG, Leak) = JoinAB(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB, NY, NH, NG, Leak) = JoinAB(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX, NY, NH, NG, Leak) = JoinAB(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def ForkBB(NT, NH1, NH2, NH3, NH4, NG, Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF1) +def ForkXX(NT, NH1, NH2, NH3, NH4, NG, Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF1) +def ForkYY(NT, NH1, NH2, NH3, NH4, NG, Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF1_YY) +def XY2B(Nx, Ny, X, NH, NG) = + (( JoinXY(((X * Nx) * (1.0 - badXY2B_X)),((X * Ny) * (1.0 - badXY2B_Y)),NH,NG,leakXY2B_J) + | ForkBB(0.0,NH,NH,NH,NH,NG,leakXY2B_F))) +def BX2X(N, X, NH, NG) = + (( JoinBX((X * (1.0 - badBX2X_B)),((X * N) * (1.0 - badBX2X_B)),NH,NG,leakBX2X_J) + | ForkXX(0.0,NH,NH,NH,NH,NG,leakBX2X_F))) +def BY2Y(N, X, NH, NG) = + (( JoinBY((X * (1.0 - badBY2Y_B)),((X * N) * (1.0 - badBY2Y_B)),NH,NG,leakBY2Y_J) + | ForkYY(0.0,NH,NH,NH,NH,NG,leakBY2Y_F))) +def AM() = + (( XY2B(Nx,(1.0 - Nx),X,NH,NG) + | BX2X(0.0,0.0,NH,NG) + | BY2Y(0.0,0.0,(NH * 1.2),(NG * 1.2)) + | (NH * 0.8) * )) +def N = 0.4 +AM() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Scienze 2007 - Catalytic Directives.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Scienze 2007 - Catalytic Directives.dna new file mode 100644 index 0000000..a3cb866 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Scienze 2007 - Catalytic Directives.dna @@ -0,0 +1,7 @@ +directive simulation {final=7000; plots=[<2 3^ 4>; <4 5^>; <1 2>; <6 3^ 4>; <1>[2]:<6>[3^ 4]{5^*}]; } +directive stochastic {scale=500} +new 3 @ 0.00042, 0.04 +new 5 @ 0.00065, 0.004 +( 13.0 * <2 3^ 4> +| 10.0 * <4 5^> +| 10.0 * <1>[2]:<6>[3^ 4]{5^*}) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Scienze 2007 - Catalytic.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Scienze 2007 - Catalytic.dna new file mode 100644 index 0000000..137af6f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Scienze 2007 - Catalytic.dna @@ -0,0 +1,7 @@ +directive simulation {final=7000; } +directive stochastic {scale=500} +new 3 @ 0.00042, 0.04 +new 5 @ 0.00065, 0.004 +( 13.0 * <2 3^ 4> +| 10.0 * <4 5^> +| 10.0 * <1>[2]:<6>[3^ 4]{5^*}) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - AND Circuit.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - AND Circuit.dna new file mode 100644 index 0000000..0d441b6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - AND Circuit.dna @@ -0,0 +1,13 @@ +directive simulation {final=1000000; plots=[<1^ 2>; <3 4^>; <2 3>]; } +directive stochastic {scale=100} +def N1 = 1.0 +def N2 = 1.0 +def N = 10.0 +def Input1() = <1^ 2> +def Input2() = <3 4^> +def Output() = <2 3> +def AND() = {1^*}[2 3]{4^*} +( N1 * Input1() +| N2 * Input2() +| N * AND() +| 0.0 * Output()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Hairpin-free HCR.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Hairpin-free HCR.dna new file mode 100644 index 0000000..b2fd792 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Hairpin-free HCR.dna @@ -0,0 +1,10 @@ +directive simulation {final=10000; } +directive polymers +directive jit +def XS = 1000.0 +def N = 3.0 +( +| N * {t^*}[a u^]{b*} +| XS * [a]{u^*} +| XS * [b] +| N * [b t^]) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Migrations.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Migrations.dna new file mode 100644 index 0000000..be1e59c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Migrations.dna @@ -0,0 +1,4 @@ +directive simulation {final=1; } +directive compilation detailed +( 1000.0 * [a1]:[a2 a3] +| 1000.0 * [b1]:[b2]:[b3]) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Monomers.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Monomers.dna new file mode 100644 index 0000000..8f6e498 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Simple - Monomers.dna @@ -0,0 +1,4 @@ +directive simulation {points=100; } +directive polymers +directive jit +( 5.0 * {t^*}[x]:[y]) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Square root - Qian and Winfree 4 bit square root circuit.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Square root - Qian and Winfree 4 bit square root circuit.dna new file mode 100644 index 0000000..5768535 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Square root - Qian and Winfree 4 bit square root circuit.dna @@ -0,0 +1,273 @@ +directive simulation {final=36000; points=10000; plots=[<_ _ _ y1_1>; <_ _ _ y1_0>; <_ _ _ y2_1>; <_ _ _ y2_0>]; } +directive stochastic {scale=20} +directive toeholds 0.002 1.3 +directive leak 1E-08 +directive tau 1 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = 5E-05 +dom t = {seq = TCT; bind = shorttoeholdbind; unbind = shorttoeholdunbind} +dom S1 = {seq = CATCCATTCCACTCA} +dom S2 = {seq = CAAAACAAAACCTCA} +dom S3 = {seq = CACCCTAAAATCTCA} +dom S4 = {seq = CACATAACAACCACA} +dom S5L = {seq = CACC} +dom S5 = {seq = ACCAAAC} +dom S5R = {seq = TTCA} +dom S6 = {seq = CATAACACAATCACA} +dom S7L = {seq = CAAC} +dom S7 = {seq = ATATCAA} +dom S7R = {seq = TTCA} +dom S8 = {seq = CACTAACATACAACA} +dom S9L = {seq = CACC} +dom S9 = {seq = ATCAAAT} +dom S9R = {seq = AACA} +dom S10 = {seq = CATACAACATCTACA} +dom S11L = {seq = CAAT} +dom S11 = {seq = ATCCATA} +dom S11R = {seq = ACCA} +dom S12L = {seq = CATC} +dom S12 = {seq = AATCAAC} +dom S12R = {seq = ACCA} +dom S13L = {seq = CACA} +dom S13 = {seq = ACTCATT} +dom S13R = {seq = ACCA} +dom S14L = {seq = CATT} +dom S14 = {seq = ATTCAAA} +dom S14R = {seq = CCCA} +dom S15L = {seq = CACA} +dom S15 = {seq = CTATAAT} +dom S15R = {seq = TCCA} +dom S16L = {seq = CACT} +dom S16 = {seq = TCATAAA} +dom S16R = {seq = TCCA} +dom S17L = {seq = CAAC} +dom S17 = {seq = TCCTAAT} +dom S17R = {seq = ATCA} +dom S18L = {seq = CATC} +dom S18 = {seq = TTCTAAC} +dom S18R = {seq = ATCA} +dom S19L = {seq = CACC} +dom S19 = {seq = TCTTAAA} +dom S19R = {seq = CACA} +dom S20L = {seq = CAAT} +dom S20 = {seq = CTAACAC} +dom S20R = {seq = TCCA} +dom S21L = {seq = CAAC} +dom S21 = {seq = CATACTA} +dom S21R = {seq = AACA} +dom S22L = {seq = CATT} +dom S22 = {seq = CCTACAT} +dom S22R = {seq = TTCA} +dom S23L = {seq = CAAA} +dom S23 = {seq = TCTTCAT} +dom S23R = {seq = CCCA} +dom S24 = {seq = CACTCATCCTTTACA} +dom S25 = {seq = CAATTCACTCAATCA} +dom S26 = {seq = CATTCATTACCTCCA} +dom S27 = {seq = CAAACACTCTATTCA} +dom S28L = {seq = CATC} +dom S28 = {seq = TACAATT} +dom S28R = {seq = CACA} +dom S29L = {seq = CACC} +dom S29 = {seq = AATACTC} +dom S29R = {seq = CTCA} +dom S30L = {seq = CACC} +dom S30 = {seq = ATTACAA} +dom S30R = {seq = TCCA} +dom S31L = {seq = CAAT} +dom S31 = {seq = CCACACT} +dom S31R = {seq = TCCA} +dom S32L = {seq = CACA} +dom S32 = {seq = CTTCAAA} +dom S32R = {seq = CTCA} +dom S33L = {seq = CAAC} +dom S33 = {seq = TCAAACA} +dom S33R = {seq = TACA} +dom S34L = {seq = CACA} +dom S34 = {seq = TAACAAA} +dom S34R = {seq = ACCA} +dom S35L = {seq = CACT} +dom S35 = {seq = CTCCATC} +dom S35R = {seq = ACCA} +dom S36L = {seq = CAAA} +dom S36 = {seq = CTAAACA} +dom S36R = {seq = ACCA} +dom S37L = {seq = CACC} +dom S37 = {seq = TCTTCCC} +dom S37R = {seq = TTCA} +dom S38L = {seq = CATA} +dom S38 = {seq = CCCTTTT} +dom S38R = {seq = CTCA} +dom S39L = {seq = CACT} +dom S39 = {seq = ATACACA} +dom S39R = {seq = CCCA} +dom S40L = {seq = CAAT} +dom S40 = {seq = ACAAATC} +dom S40R = {seq = CACA} +dom S41L = {seq = CAAC} +dom S41 = {seq = AAACCAT} +dom S41R = {seq = TACA} +dom S42L = {seq = CACT} +dom S42 = {seq = TTTCACT} +dom S42R = {seq = ATCA} +dom S43L = {seq = CATC} +dom S43 = {seq = ATACCTA} +dom S43R = {seq = CTCA} +dom S44L = {seq = CAAA} +dom S44 = {seq = ACTCTCT} +dom S44R = {seq = CTCA} +dom S45L = {seq = CACC} +dom S45 = {seq = CAAAACC} +dom S45R = {seq = CACA} +dom S46L = {seq = CAAA} +dom S46 = {seq = CCCAACT} +dom S46R = {seq = CACA} +dom S47L = {seq = CATT} +dom S47 = {seq = CTCCCAC} +dom S47R = {seq = CTCA} +dom S48L = {seq = CATC} +dom S48 = {seq = ACCACTA} +dom S48R = {seq = TACA} +dom S49L = {seq = CATC} +dom S49 = {seq = CTTAACT} +dom S49R = {seq = CCCA} +dom S50L = {seq = CATT} +dom S50 = {seq = ACCAACC} +dom S50R = {seq = ACCA} +dom S51L = {seq = CACA} +dom S51 = {seq = AACTACA} +dom S51R = {seq = TCCA} +dom S52L = {seq = CACT} +dom S52 = {seq = TCACAAC} +dom S52R = {seq = TACA} +dom S53L = {seq = CATA} +dom S53 = {seq = TCTAATC} +dom S53R = {seq = TCCA} +dom fL = {seq = CATT} +dom f = {seq = TTTTTTT} +dom fR = {seq = TTCA} +def N = 5.0 +def OFF = (1.0 * N) +def ON = (9.0 * N) +def signal(N, (iL, i, iR), (jL, j, jR)) = ( N * ) +def gateL(N, (iL, i, iR), (jL, j, jR)) = ( N * {t^*}[iL^ i iR^ t^]) +def gateR(N, (iL, i, iR), (jL, j, jR)) = ( N * [t^ jL^ j jR^]{t^*}) +def thresholdL(N, (iL, i, iR), (jL, j, jR)) = ( N * {iR^* t^*}[jL^ j jR^]) +def thresholdR(N, (iL, i, iR), (jL, j, jR)) = ( N * [iL^ i iR^]{t^* jL^*}) +def reporter(N, (iL, i, iR), Fluor) = ( N * {t^*}[iL^ i iR^]) +def F = (fL,f,fR) +def seesawOR2I2O(I1, I2, K1, K2) = + (( gateL((20.0 * N),I1,I2) + | thresholdL((6.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | gateL((10.0 * N),I2,K2) + | signal((40.0 * N),I2,F))) +def seesawAND2I2O(I1, I2, K1, K2) = + (( gateL((20.0 * N),I1,I2) + | thresholdL((12.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | gateL((10.0 * N),I2,K2) + | signal((40.0 * N),I2,F))) +def seesawOR2I1O(I1, I2, K1) = + (( gateL((20.0 * N),I1,I2) + | thresholdL((6.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | signal((20.0 * N),I2,F))) +def seesawAND2I1O(I1, I2, K1) = + (( gateL((20.0 * N),I1,I2) + | thresholdL((12.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | signal((20.0 * N),I2,F))) +def seesawAND3I1O(I1, I2, K1) = + (( gateL((30.0 * N),I1,I2) + | thresholdL((22.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | signal((20.0 * N),I2,F))) +def seesawOR3I1O(I1, I2, K1) = + (( gateL((30.0 * N),I1,I2) + | thresholdL((6.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | signal((20.0 * N),I2,F))) +def inputfanout3O(J, I, K1, K2, K3) = + (( thresholdL((2.0 * N),J,I) + | gateL((10.0 * N),I,K1) + | gateL((10.0 * N),I,K2) + | gateL((10.0 * N),I,K3) + | signal((60.0 * N),I,F))) +def reporterREST(I1, I2, I3) = + (( gateL((10.0 * N),I1,I2) + | thresholdL((4.0 * N),I1,I2) + | gateL((10.0 * N),I2,I3) + | signal((20.0 * N),I2,F))) +def X5 = (S5L,S5,S5R) +def X7 = (S7L,S7,S7R) +def X9 = (S9L,S9,S9R) +def X11 = (S11L,S11,S11R) +def X12 = (S12L,S12,S12R) +def X13 = (S13L,S13,S13R) +def X14 = (S14L,S14,S14R) +def X15 = (S15L,S15,S15R) +def X16 = (S16L,S16,S16R) +def X17 = (S17L,S17,S17R) +def X18 = (S18L,S18,S18R) +def X19 = (S19L,S19,S19R) +def X20 = (S20L,S20,S20R) +def X21 = (S21L,S21,S21R) +def X22 = (S22L,S22,S22R) +def X23 = (S23L,S23,S23R) +def X28 = (S28L,S28,S28R) +def X29 = (S29L,S29,S29R) +def X30 = (S30L,S30,S30R) +def X31 = (S31L,S31,S31R) +def X32 = (S32L,S32,S32R) +def X33 = (S33L,S33,S33R) +def X34 = (S34L,S34,S34R) +def X35 = (S35L,S35,S35R) +def X36 = (S36L,S36,S36R) +def X37 = (S37L,S37,S37R) +def X38 = (S38L,S38,S38R) +def X39 = (S39L,S39,S39R) +def X40 = (S40L,S40,S40R) +def X41 = (S41L,S41,S41R) +def X42 = (S42L,S42,S42R) +def X43 = (S43L,S43,S43R) +def X44 = (S44L,S44,S44R) +def X45 = (S45L,S45,S45R) +def X46 = (S46L,S46,S46R) +def X47 = (S47L,S47,S47R) +def X48 = (S48L,S48,S48R) +def X49 = (S49L,S49,S49R) +def X50 = (S50L,S50,S50R) +def X52 = (S52L,S52,S52R) +new S54L +new S54 +new S54R +def X54 = (S54L,S54,S54R) +( signal(ON,X5,X22) +| signal(OFF,X7,X20) +| signal(ON,X9,X22) +| signal(OFF,X11,X20) +| signal(OFF,X12,X13) +| signal(ON,X14,X15) +| signal(ON,X16,X17) +| signal(OFF,X18,X19) +| seesawOR2I2O(X20,X21,X38,X40) +| seesawAND2I2O(X22,X23,X36,X42) +| seesawOR2I1O(X28,X29,X40) +| seesawAND2I1O(X30,X31,X42) +| seesawAND2I1O(X32,X33,X48) +| seesawOR2I1O(X34,X35,X50) +| seesawAND3I1O(X36,X37,X46) +| seesawOR3I1O(X38,X39,X44) +| seesawAND2I1O(X40,X41,X46) +| seesawOR2I1O(X42,X43,X44) +| seesawAND2I1O(X44,X45,X52) +| seesawOR2I1O(X46,X47,X54) +| inputfanout3O(X12,X13,X28,X32,X38) +| inputfanout3O(X14,X15,X30,X34,X36) +| inputfanout3O(X16,X17,X30,X32,X38) +| inputfanout3O(X18,X19,X28,X34,X36) +| reporter((15.0 * N),X48,y2_0) +| reporter((15.0 * N),X50,y2_1) +| reporter((15.0 * N),X52,y1_0) +| reporter((15.0 * N),X54,y1_1)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Stack Machine, DNA17 - Ripple carry adder.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Stack Machine, DNA17 - Ripple carry adder.dna new file mode 100644 index 0000000..15c01fa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Stack Machine, DNA17 - Ripple carry adder.dna @@ -0,0 +1,149 @@ +directive simulation {final=10000000; points=1000000; plots=[sum([<_ T^ pS1>]); sum([<_ T^ pS2>]); sum([<_^ pS3>]); sum([<_ T^ pS4>]); sum([<_ T^ pS5>]); sum([<_ T^ pS6>]); sum([<_ T^ pS7>]); sum([<_ T^ pS8>]); sum([<_ T^ pS9>]); sum([<_ T^ pS10>]); sum([<_ T^ pS11>]); sum([<_ T^ pS12>]); sum([<_ T^ pS13>]); sum([<_ T^ pAcc>]); sum([<_ T^ pRej>])]; } +directive compilation infinite +directive polymers +directive jit +def lots = 20.0 +new mBot +new pBot +new T +def EditStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ) = + (( lots * + | lots * {GlueZ T^} + | lots * [GlueZ* T^*] + | lots * {T^}[mPopZ T^]:[pPushZ T^]{GlueZ})) +def EmptyStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def OneStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def TwoStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def ThreeStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def FourStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def FiveStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU, mR, pR) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def SixStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU, mR, pR, mP, pP) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def SevenStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mA, pA, mB, pB, mC, pC, mD, pD, mE, pE, mF, pF, mG, pG) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def EightStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mA, pA, mB, pB, mC, pC, mD, pD, mE, pE, mF, pF, mG, pG, mH, pH) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def Element(mX, mPushZ, pPushZ, pX) = +def Signal(mX, pX) = +def Irrev33x33(mX, pX, mY, pY, mA, pA, mB, pB) = + (new mA + ( lots * {T^*}[pX T^]:[pY T^]:[mA T^]:[mB T^] + | lots * )) +def Irrev53x35(mX, mPushZ1, pPushZ1, pX, mY, pY, mB, pB, mA, mPushZ2, pPushZ2, pA) = + (new mB + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] + | lots * )) +def Irrev53x33(mX, mPushZ1, pPushZ1, pX, mY, pY, mA, pA, mB, pB) = + (new mA + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^]:[mB T^] + | lots * )) +def Irrev53x3(mX, mPushZ1, pPushZ1, pX, mY, pY, mA, pA) = + (new mA + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^] + | lots * )) +def Irrev33x35(mX, pX, mY, pY, mB, pB, mA, mPushZ2, pPushZ2, pA) = + (new mB + ( lots * {T^*}[pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] + | lots * )) +new mPushA +new pPushA +new mPopA +new pPopA +new GlueA +new mPushB +new pPushB +new mPopB +new pPopB +new GlueB +new mPushC +new pPushC +new mPopC +new pPopC +new GlueC +new mPushX +new pPushX +new mPopX +new pPopX +new GlueX +new mZero +new pZero +new mOne +new pOne +new mS1 +new pS1 +new mS2 +new pS2 +new mS3 +new pS3 +new mS4 +new pS4 +new mS5 +new pS5 +new mS6 +new pS6 +new mS7 +new pS7 +new mS8 +new pS8 +new mS9 +new pS9 +new mS10 +new pS10 +new mS11 +new pS11 +new mS12 +new pS12 +new mS13 +new pS13 +new mAcc +new pAcc +new mRej +new pRej +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA,mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB,mZero,pZero,mZero,pZero) +| OneStack(mPushC,pPushC,mPopC,pPopC,GlueC,mZero,pZero) +| EmptyStack(mPushX,pPushX,mPopX,pPopX,GlueX) +| Signal(mS1,pS1) +| Signal(mPopA,pPopA) +| Irrev53x33(mBot,mPushA,pPushA,pBot,mS1,pS1,mS2,pS2,mPopB,pPopB) +| Irrev53x33(mOne,mPushA,pPushA,pOne,mS1,pS1,mS3,pS3,mPopB,pPopB) +| Irrev53x33(mZero,mPushA,pPushA,pZero,mS1,pS1,mS4,pS4,mPopB,pPopB) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS2,pS2,mAcc,pAcc) +| Irrev53x3(mOne,mPushB,pPushB,pOne,mS2,pS2,mRej,pRej) +| Irrev53x3(mZero,mPushB,pPushB,pZero,mS2,pS2,mRej,pRej) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS3,pS3,mRej,pRej) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS3,pS3,mS5,pS5,mPopC,pPopC) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS3,pS3,mS6,pS6,mPopC,pPopC) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS4,pS4,mRej,pRej) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS4,pS4,mS6,pS6,mPopC,pPopC) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS4,pS4,mS7,pS7,mPopC,pPopC) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS5,pS5,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS5,pS5,mS8,pS8,mOne,mPushC,pPushC,pOne) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS5,pS5,mS9,pS9,mOne,mPushC,pPushC,pOne) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS6,pS6,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS6,pS6,mS9,pS9,mOne,mPushC,pPushC,pOne) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS6,pS6,mS10,pS10,mZero,mPushC,pPushC,pZero) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS7,pS7,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS7,pS7,mS10,pS10,mZero,mPushC,pPushC,pZero) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS7,pS7,mS11,pS11,mZero,mPushC,pPushC,pZero) +| Irrev33x35(mPopC,pPopC,mS8,pS8,mS13,pS13,mOne,mPushX,pPushX,pOne) +| Irrev33x35(mPopC,pPopC,mS9,pS9,mS12,pS12,mZero,mPushX,pPushX,pZero) +| Irrev33x35(mPopC,pPopC,mS10,pS10,mS13,pS13,mOne,mPushX,pPushX,pOne) +| Irrev33x35(mPopC,pPopC,mS11,pS11,mS12,pS12,mZero,mPushX,pPushX,pZero) +| Irrev33x33(mPopX,pPopX,mS12,pS12,mS1,pS1,mPopA,pPopA) +| Irrev33x33(mPopX,pPopX,mS13,pS13,mS1,pS1,mPopA,pPopA)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Directives.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Directives.dna new file mode 100644 index 0000000..42a9b99 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Directives.dna @@ -0,0 +1,14 @@ +directive simulation {final=6000; plots=[Input1(); Input2(); Output(); Signal()]; } +directive simulator deterministic +directive compilation infinite +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10.0 * Input1() +| 10.0 * Input2() +| 100.0 * Join() +| 100.0 * Reporter() +| 0.0 * Signal()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Events.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Events.dna new file mode 100644 index 0000000..6ad2ac3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Events.dna @@ -0,0 +1,24 @@ +directive simulation {final=6000; plots=[Signal()]; } +directive simulator deterministic +directive stochastic {scale=10} +directive deterministic {stiff=true} +directive parameters [ + N = 1, {interval=Real; distribution=Uniform(1,1); variation=Fixed}; + T1 = 600, {interval=Real; distribution=Uniform(600,600); variation=Fixed}; +] +directive sweeps [ + sweep_1 = [N = [0; 0.2; 0.4; 0.6]]; +] +directive compilation infinite +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0.0 * Input1() +| 10.0 * Input2() +| 100.0 * Join() +| 100.0 * Reporter() +| 0.0 * Signal() +| (N * 10.0) * @ T1) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Reporter.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Reporter.dna new file mode 100644 index 0000000..0863351 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join Reporter.dna @@ -0,0 +1,13 @@ +directive simulation {final=10000; plots=[Input1(); Input2(); Signal()]; } +directive stochastic {scale=10} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10.0 * Input1() +| 10.0 * Input2() +| 100.0 * Join() +| 100.0 * Reporter() +| 0.0 * Signal()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join.dna new file mode 100644 index 0000000..3b6b14b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Tutorial, VEMDP 2014 - Join.dna @@ -0,0 +1,10 @@ +directive simulation {final=10000; plots=[Input1(); Input2(); Output()]; } +directive stochastic {scale=10} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +( 10.0 * Input1() +| 10.0 * Input2() +| 100.0 * Join() +| 0.0 * Output()) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.dna new file mode 100644 index 0000000..12a89e6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.dna @@ -0,0 +1,157 @@ +directive simulation {final=150000; plots=[([R()] - [R'()]); ([V()] - [V'()]); ([Y()] - [Y'()]); ([L()] - [L'()])]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive parameters [ + deg = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + cat = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + pol = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + nick = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + x0 = 4, {interval=Real; distribution=Uniform(4,4); variation=Fixed}; + ann = 0.01, {interval=Real; distribution=Uniform(0.01,0.01); variation=Fixed}; + bind = 5.4E-06, {interval=Real; distribution=Uniform(5.4E-06,5.4E-06); variation=Fixed}; + bind2 = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + bind1 = 5E-05, {interval=Real; distribution=Uniform(5E-05,5E-05); variation=Fixed}; + unbind = 0.1126, {interval=Real; distribution=Uniform(0.1126,0.1126); variation=Fixed}; + Cmax = 1000, {interval=Real; distribution=Uniform(1000,1000); variation=Fixed}; + c = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + kt = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + ku = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + s = 2, {interval=Real; distribution=Uniform(2,2); variation=Fixed}; +] +directive compilation infinite +directive declare +new t @ kt, unbind +new u @ ku, unbind +new x +new x' +new v +new v' +new y +new y' +new r +new r' +new e +new e' +new load +new load' +new i +def Signal((x, x')) = +def Degradation(k, (x, x')) = (Cmax / k) * {t^(c)*}[x] +def Annihilation((x, x')) = + (( Cmax * {t^*}[x t^]:[x'] + | Cmax * {t^*}[x' t^]:[x] + | Cmax * + | Cmax * )) +def Catalysis(k, (x, x'), (y, y')) = + (( (Cmax * k) * {t^(c)*}[x u^]:[y u^]:[i] + | (Cmax * k) * [i]:[t^ x]{u^*} + | (Cmax * k) * [i]:[t^ y]{u^*} + | (Cmax * k) * + | (Cmax * k) * + | (Cmax * k) * )) +def Signal'((x, x')) = Signal((x',x)) +def Degradation'(k, (x, x')) = Degradation(k,(x',x)) +def Catalysis'(k, (x, x'), (y, y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k, x, (y, y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k, (x, x'), y) = Catalysis(k,(x',x),y) +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') +def Catalysis2(k, x, y) = + (( Catalysis(k,x,y) + | Catalysis'(k,x,y))) +def Catalysis2Inv(k, x, y) = + (( CatalysisInv(k,x,y) + | CatalysisInv'(k,x,y))) +def Degradation2(k, x) = + (( Degradation(k,x) + | Degradation'(k,x))) +def Integration(kI, x, y) = Catalysis2(kI,x,y) +def Gain(k, kD, x, y) = + (( Catalysis2(k,x,y) + | Degradation2(kD,y))) +def Summation(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2(k2,x2,y) + | Degradation2(kD,y))) +def SummationInv(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2Inv(k2,x2,y) + | Degradation2(kD,y))) +def PI(kP, kI, r, y, v, e) = + (( SummationInv(1.0,1.0,1.0,r,y,e) + | Integration(kI,e,x) + | Summation(kP,1.0,1.0,e,x,v) + | Annihilation(x))) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = + (( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) + | rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) + | rxn Signal(y) ->{0.1} + | rxn Signal'(y) ->{0.1} + | rxn Signal'(y) + Signal(y) ->{0.1} + | rxn L() + Signal(y) ->{0.01} L() + | rxn L'() + Signal'(y) ->{0.01} L'() + | rxn L() + L'() ->{1} )) +def System() = + (( 0.0 * V() + | 0.0 * V'() + | 0.0 * Y() + | 0.0 * Y'() + | 0.0 * L() + | 0.0 * L'() + | x0 * R() + | 0.0 * R'() + | PI(1.0,1.0,r,y,v,e) + | Plant(v,y) + | Annihilation(r) + | Annihilation(v) + | Annihilation(e))) +def TestAnnihilation() = + (( 2.0 * X() + | X'() + | Annihilation(x))) +def TestCatalysis() = + (( X() + | 0.0 * Y() + | Catalysis(1.0,x,y))) +def TestDegradation() = + (( X() + | 0.0 * X'() + | Degradation(1.0,x))) +def TestGain() = + (( X() + | 0.0 * Y() + | 0.0 * Y'() + | Gain(1.0,2.0,x,y) + | Annihilation(y))) +def TestSummation() = + (( 2.0 * X() + | E() + | 0.0 * V() + | 0.0 * V'() + | Summation(1.0,1.0,1.0,x,e,v) + | Annihilation(v))) +def TestSummationInv() = + (( 2.0 * Y() + | R() + | 0.0 * E() + | 0.0 * E'() + | SummationInv(1.0,1.0,1.0,y,r,e) + | Annihilation(e))) +( System() +| (2.0 * x0) * R() @ 100000.0 +| (2.0 * x0) * R'() @ 50000.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.dna new file mode 100644 index 0000000..9ca395a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.dna @@ -0,0 +1,187 @@ +directive simulation {final=150000; plots=[([R()] - [R'()]); ([V()] - [V'()]); ([Y()] - [Y'()]); ([L()] - [L'()])]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive parameters [ + deg = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + cat = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + pol = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + nick = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + x0 = 4, {interval=Real; distribution=Uniform(4,4); variation=Fixed}; + ann = 0.01, {interval=Real; distribution=Uniform(0.01,0.01); variation=Fixed}; + bind = 5.4E-06, {interval=Real; distribution=Uniform(5.4E-06,5.4E-06); variation=Fixed}; + bind2 = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + bind1 = 5E-05, {interval=Real; distribution=Uniform(5E-05,5E-05); variation=Fixed}; + unbind = 0.1126, {interval=Real; distribution=Uniform(0.1126,0.1126); variation=Fixed}; + Cmax = 1000, {interval=Real; distribution=Uniform(1000,1000); variation=Fixed}; + c = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + kt = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + ku = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + s = 2, {interval=Real; distribution=Uniform(2,2); variation=Fixed}; +] +directive compilation infinite +directive declare +dom x1 = {colour = "red"; bind = kt} +dom x1' = {colour = "red"; bind = kt} +dom x3 = {colour = "red"; bind = kt} +dom x3' = {colour = "red"; bind = kt} +dom r1 = {colour = "purple"; bind = kt} +dom r1' = {colour = "purple"; bind = kt} +dom r3 = {colour = "purple"; bind = kt} +dom r3' = {colour = "purple"; bind = kt} +dom e1 = {colour = "blue"; bind = kt} +dom e1' = {colour = "blue"; bind = kt} +dom e3 = {colour = "blue"; bind = kt} +dom e3' = {colour = "blue"; bind = kt} +dom v1 = {colour = "orange"; bind = kt} +dom v1' = {colour = "orange"; bind = kt} +dom v3 = {colour = "orange"; bind = kt} +dom v3' = {colour = "orange"; bind = kt} +dom y1 = {colour = "green"; bind = kt} +dom y1' = {colour = "green"; bind = kt} +dom y3 = {colour = "green"; bind = kt} +dom y3' = {colour = "green"; bind = kt} +dom load = {colour = "black"; bind = kt} +dom load' = {colour = "black"; bind = kt} +dom load = {colour = "black"; bind = kt} +dom load' = {colour = "black"; bind = kt} +dom t = {colour = "magenta"; bind = kt; unbind = unbind} +new xh +new x2 +new xh' +new x2' +new vh +new v2 +new vh' +new v2' +new yh +new y2 +new yh' +new y2' +new rh +new r2 +new rh' +new r2' +new eh +new e2 +new eh' +new e2' +def Signal0((xh, x1, x2, x3), x') = +def Degradation0(k, (xh, x1, x2, x3), x') = (Cmax / k) * {x1^(c)*}[x2 x3^] +def Annihilation0((xh, x1, x2, x3), (xh', x1', x2', x3')) = + (( Cmax * {x1^*}[x2 x3^ x1'^]:[x2' x3'^] + | Cmax * + | Cmax * {x1'^*}[x2' x3'^ x1^]:[x2 x3^] + | Cmax * )) +def Catalysis0(k, (xh, x1, x2, x3), x', (yh, y1, y2, y3), y') = + (( (Cmax * k) * {x1^(c)*}[x2 x3^] + | (Cmax * k) * {x3^*}[yh y1^]:[xh x1^])) +def Signal((x, x')) = Signal0(x,x') +def Degradation(k, (x, x')) = Degradation0(k,x,x') +def Catalysis(k, (x, x'), (y, y')) = Catalysis0(k,x,x',y,y') +def Annihilation((x, x')) = Annihilation0(x,x') +def Signal'((x, x')) = Signal((x',x)) +def Degradation'(k, (x, x')) = Degradation(k,(x',x)) +def Catalysis'(k, (x, x'), (y, y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k, x, (y, y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k, (x, x'), y) = Catalysis(k,(x',x),y) +def x = ((xh,x1,x2,x3),(xh',x1',x2',x3')) +def y = ((yh,y1,y2,y3),(yh',y1',y2',y3')) +def v = ((vh,v1,v2,v3),(vh',v1',v2',v3')) +def e = ((eh,e1,e2,e3),(eh',e1',e2',e3')) +def r = ((rh,r1,r2,r3),(rh',r1',r2',r3')) +def Catalysis2(k, x, y) = + (( Catalysis(k,x,y) + | Catalysis'(k,x,y))) +def Catalysis2Inv(k, x, y) = + (( CatalysisInv(k,x,y) + | CatalysisInv'(k,x,y))) +def Degradation2(k, x) = + (( Degradation(k,x) + | Degradation'(k,x))) +def Integration(kI, x, y) = Catalysis2(kI,x,y) +def Gain(k, kD, x, y) = + (( Catalysis2(k,x,y) + | Degradation2(kD,y))) +def Summation(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2(k2,x2,y) + | Degradation2(kD,y))) +def SummationInv(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2Inv(k2,x2,y) + | Degradation2(kD,y))) +def PI(kP, kI, r, y, v, e) = + (( SummationInv(1.0,1.0,1.0,r,y,e) + | Integration(kI,e,x) + | Summation(kP,1.0,1.0,e,x,v) + | Annihilation(x))) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = + (( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) + | rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) + | rxn Signal(y) ->{0.1} + | rxn Signal'(y) ->{0.1} + | rxn Signal'(y) + Signal(y) ->{0.1} + | rxn L() + Signal(y) ->{0.01} L() + | rxn L'() + Signal'(y) ->{0.01} L'() + | rxn L() + L'() ->{1} )) +def System() = + (( 0.0 * V() + | 0.0 * V'() + | 0.0 * Y() + | 0.0 * Y'() + | 0.0 * L() + | 0.0 * L'() + | x0 * R() + | 0.0 * R'() + | PI(1.0,1.0,r,y,v,e) + | Plant(v,y) + | Annihilation(r) + | Annihilation(v) + | Annihilation(e))) +def TestAnnihilation() = + (( 2.0 * X() + | X'() + | Annihilation(x))) +def TestCatalysis() = + (( X() + | 0.0 * Y() + | Catalysis(1.0,x,y))) +def TestDegradation() = + (( X() + | 0.0 * X'() + | Degradation(1.0,x))) +def TestGain() = + (( X() + | 0.0 * Y() + | 0.0 * Y'() + | Gain(1.0,2.0,x,y) + | Annihilation(y))) +def TestSummation() = + (( 2.0 * X() + | E() + | 0.0 * V() + | 0.0 * V'() + | Summation(1.0,1.0,1.0,x,e,v) + | Annihilation(v))) +def TestSummationInv() = + (( 2.0 * Y() + | R() + | 0.0 * E() + | 0.0 * E'() + | SummationInv(1.0,1.0,1.0,y,r,e) + | Annihilation(e))) +( System() +| (2.0 * x0) * R() @ 100000.0 +| (2.0 * x0) * R'() @ 50000.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.dna new file mode 100644 index 0000000..e5dc28d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.dna @@ -0,0 +1,143 @@ +directive simulation {final=150000; plots=[([R()] - [R'()]); ([V()] - [V'()]); ([Y()] - [Y'()]); ([L()] - [L'()])]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive parameters [ + deg = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + cat = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + pol = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + nick = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + x0 = 4, {interval=Real; distribution=Uniform(4,4); variation=Fixed}; + ann = 0.01, {interval=Real; distribution=Uniform(0.01,0.01); variation=Fixed}; + bind = 5.4E-06, {interval=Real; distribution=Uniform(5.4E-06,5.4E-06); variation=Fixed}; + bind2 = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + bind1 = 5E-05, {interval=Real; distribution=Uniform(5E-05,5E-05); variation=Fixed}; + unbind = 0.1126, {interval=Real; distribution=Uniform(0.1126,0.1126); variation=Fixed}; + Cmax = 1000, {interval=Real; distribution=Uniform(1000,1000); variation=Fixed}; + c = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + kt = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + ku = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + s = 2, {interval=Real; distribution=Uniform(2,2); variation=Fixed}; +] +directive declare +new x +new x' +new v +new v' +new y +new y' +new r +new r' +new e +new e' +new load +new load' +def Signal((x, x')) = +def Signal'((x, x')) = Signal((x',x)) +def Degradation(k, x) = ( rxn Signal(x) ->{(deg / k)} ) +def Degradation'(k, (x, x')) = Degradation(k,(x',x)) +def Catalysis(k, x, y) = ( rxn Signal(x) ->{(cat * k)} Signal(x) + Signal(y)) +def Catalysis'(k, (x, x'), (y, y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k, x, (y, y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k, (x, x'), y) = Catalysis(k,(x',x),y) +def Annihilation(x) = ( rxn Signal(x) + Signal'(x) ->{ann} ) +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') +def Catalysis2(k, x, y) = + (( Catalysis(k,x,y) + | Catalysis'(k,x,y))) +def Catalysis2Inv(k, x, y) = + (( CatalysisInv(k,x,y) + | CatalysisInv'(k,x,y))) +def Degradation2(k, x) = + (( Degradation(k,x) + | Degradation'(k,x))) +def Integration(kI, x, y) = Catalysis2(kI,x,y) +def Gain(k, kD, x, y) = + (( Catalysis2(k,x,y) + | Degradation2(kD,y))) +def Summation(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2(k2,x2,y) + | Degradation2(kD,y))) +def SummationInv(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2Inv(k2,x2,y) + | Degradation2(kD,y))) +def PI(kP, kI, r, y, v, e) = + (( SummationInv(1.0,1.0,1.0,r,y,e) + | Integration(kI,e,x) + | Summation(kP,1.0,1.0,e,x,v) + | Annihilation(x))) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = + (( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) + | rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) + | rxn Signal(y) ->{0.1} + | rxn Signal'(y) ->{0.1} + | rxn Signal'(y) + Signal(y) ->{0.1} + | rxn L() + Signal(y) ->{0.01} L() + | rxn L'() + Signal'(y) ->{0.01} L'() + | rxn L() + L'() ->{1} )) +def System() = + (( 0.0 * V() + | 0.0 * V'() + | 0.0 * Y() + | 0.0 * Y'() + | 0.0 * L() + | 0.0 * L'() + | x0 * R() + | 0.0 * R'() + | PI(1.0,1.0,r,y,v,e) + | Plant(v,y) + | Annihilation(r) + | Annihilation(v) + | Annihilation(e))) +def TestAnnihilation() = + (( 2.0 * X() + | X'() + | Annihilation(x))) +def TestCatalysis() = + (( X() + | 0.0 * Y() + | Catalysis(1.0,x,y))) +def TestDegradation() = + (( X() + | 0.0 * X'() + | Degradation(1.0,x))) +def TestGain() = + (( X() + | 0.0 * Y() + | 0.0 * Y'() + | Gain(1.0,2.0,x,y) + | Annihilation(y))) +def TestSummation() = + (( 2.0 * X() + | E() + | 0.0 * V() + | 0.0 * V'() + | Summation(1.0,1.0,1.0,x,e,v) + | Annihilation(v))) +def TestSummationInv() = + (( 2.0 * Y() + | R() + | 0.0 * E() + | 0.0 * E'() + | SummationInv(1.0,1.0,1.0,y,r,e) + | Annihilation(e))) +( System() +| (2.0 * x0) * R() @ 100000.0 +| (2.0 * x0) * R'() @ 50000.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.dna new file mode 100644 index 0000000..071f6d3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.dna @@ -0,0 +1,178 @@ +directive simulation {final=150000; plots=[([R()] - [R'()]); ([V()] - [V'()]); ([Y()] - [Y'()]); ([L()] - [L'()])]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive parameters [ + deg = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + cat = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + pol = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + nick = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + x0 = 4, {interval=Real; distribution=Uniform(4,4); variation=Fixed}; + ann = 0.01, {interval=Real; distribution=Uniform(0.01,0.01); variation=Fixed}; + bind = 5.4E-06, {interval=Real; distribution=Uniform(5.4E-06,5.4E-06); variation=Fixed}; + bind2 = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + bind1 = 5E-05, {interval=Real; distribution=Uniform(5E-05,5E-05); variation=Fixed}; + unbind = 0.1126, {interval=Real; distribution=Uniform(0.1126,0.1126); variation=Fixed}; + Cmax = 1000, {interval=Real; distribution=Uniform(1000,1000); variation=Fixed}; + c = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + kt = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + ku = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + s = 2, {interval=Real; distribution=Uniform(2,2); variation=Fixed}; +] +directive unproductive +directive declare +dom x1 = {colour = "red"; bind = bind; unbind = unbind} +dom x2 = {colour = "red"; bind = bind; unbind = unbind} +dom r1 = {colour = "purple"; bind = bind; unbind = unbind} +dom r2 = {colour = "purple"; bind = bind; unbind = unbind} +dom e1 = {colour = "blue"; bind = bind; unbind = unbind} +dom e2 = {colour = "blue"; bind = bind; unbind = unbind} +dom v1 = {colour = "orange"; bind = bind; unbind = unbind} +dom v2 = {colour = "orange"; bind = bind; unbind = unbind} +dom y1 = {colour = "green"; bind = bind; unbind = unbind} +dom y2 = {colour = "green"; bind = bind; unbind = unbind} +dom load = {colour = "black"} +dom load' = {colour = "black"} +dom dx = {bind = ann; subdomains = [ x1; x2 ]} +dom dr = {bind = ann; subdomains = [ r1; r2 ]} +dom de = {bind = ann; subdomains = [ e1; e2 ]} +dom dv = {bind = ann; subdomains = [ v1; v2 ]} +dom dy = {bind = ann; subdomains = [ y1; y2 ]} +def Signal((x1, x2)) = +def Signal'((x1, x2)) = +def Template((x1, x2), (y1, y2)) = [x2^]:[y1^ y2^] +def Template'((x1, x2), (y1, y2)) = [x1^*]:[y2^* y1^*] +def TemplateOff((x1, x2), (y1, y2)) = {x2^*}[y1^ y2^] +def TemplateOff'((x1, x2), (y1, y2)) = {x1^}[y2^* y1^*] +def TemplateDS((x1, x2), (y1, y2)) = [x2^ y1^ y2^] +def TemplateDS'((x1, x2), (y1, y2)) = [x1^* y2^* y1^*] +def TemplateOffInv((x1, x2), (y1, y2)) = {x2^*}[y2^* y1^*] +def TemplateOffInv'((x1, x2), (y1, y2)) = {x1^}[y1^ y2^] +def TemplateInv((x1, x2), (y1, y2)) = [x2^]:[y2^* y1^*] +def TemplateInv'((x1, x2), (y1, y2)) = [x1^*]:[y1^ y2^] +def TemplateDSInv((x1, x2), (y1, y2)) = [x2^ y2^* y1^*] +def TemplateDSInv'((x1, x2), (y1, y2)) = [x1^* y1^ y2^] +def Ann((x1, x2)) = [x1^ x2^] +def r = (r1,r2) +def e = (e1,e2) +def v = (v1,v2) +def y = (y1,y2) +def x = (x1,x2) +def Catalysis(k, x, y) = + (( (Cmax * k) * TemplateOff(x,y) + | rxn Template(x,y) ->{pol} TemplateDS(x,y) + Signal(y) + | rxn TemplateDS(x,y) ->{nick} Template(x,y) + | 0.0 * Template(x,y) + | 0.0 * TemplateDS(x,y))) +def Catalysis'(k, x, y) = + (( (Cmax * k) * TemplateOff'(x,y) + | rxn Template'(x,y) ->{pol} TemplateDS'(x,y) + Signal'(y) + | rxn TemplateDS'(x,y) ->{nick} Template'(x,y))) +def CatalysisInv(k, x, y) = + (( (Cmax * k) * TemplateOffInv(x,y) + | rxn TemplateInv(x,y) ->{pol} TemplateDSInv(x,y) + Signal'(y) + | rxn TemplateDSInv(x,y) ->{nick} TemplateInv(x,y) + | 0.0 * TemplateInv(x,y) + | 0.0 * TemplateDSInv(x,y))) +def CatalysisInv'(k, x, y) = + (( (Cmax * k) * TemplateOffInv'(x,y) + | rxn TemplateInv'(x,y) ->{pol} TemplateDSInv'(x,y) + Signal(y) + | rxn TemplateDSInv'(x,y) ->{nick} TemplateInv'(x,y))) +def Annihilation(x) = 0.0 * Ann(x) +def Degradation(k, x) = CatalysisInv((1.0 / k),x,x) +def Degradation'(k, x) = CatalysisInv'((1.0 / k),x,x) +def Catalysis2(k, x, y) = + (( Catalysis(k,x,y) + | Catalysis'(k,x,y))) +def Catalysis2Inv(k, x, y) = + (( CatalysisInv(k,x,y) + | CatalysisInv'(k,x,y))) +def Degradation2(k, x) = + (( Degradation(k,x) + | Degradation'(k,x))) +def Integration(kI, x, y) = Catalysis2(kI,x,y) +def Gain(k, kD, x, y) = + (( Catalysis2(k,x,y) + | Degradation2(kD,y))) +def Summation(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2(k2,x2,y) + | Degradation2(kD,y))) +def SummationInv(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2Inv(k2,x2,y) + | Degradation2(kD,y))) +def PI(kP, kI, r, y, v, e) = + (( SummationInv(1.0,1.0,1.0,r,y,e) + | Integration(kI,e,x) + | Summation(kP,1.0,1.0,e,x,v) + | Annihilation(x))) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = + (( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) + | rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) + | rxn Signal(y) ->{0.1} + | rxn Signal'(y) ->{0.1} + | rxn Signal'(y) + Signal(y) ->{0.1} + | rxn L() + Signal(y) ->{0.01} L() + | rxn L'() + Signal'(y) ->{0.01} L'() + | rxn L() + L'() ->{1} )) +def System() = + (( 0.0 * V() + | 0.0 * V'() + | 0.0 * Y() + | 0.0 * Y'() + | 0.0 * L() + | 0.0 * L'() + | x0 * R() + | 0.0 * R'() + | PI(1.0,1.0,r,y,v,e) + | Plant(v,y) + | Annihilation(r) + | Annihilation(v) + | Annihilation(e))) +def TestAnnihilation() = + (( 2.0 * X() + | X'() + | Annihilation(x))) +def TestCatalysis() = + (( X() + | 0.0 * Y() + | Catalysis(1.0,x,y))) +def TestDegradation() = + (( X() + | 0.0 * X'() + | Degradation(1.0,x))) +def TestGain() = + (( X() + | 0.0 * Y() + | 0.0 * Y'() + | Gain(1.0,2.0,x,y) + | Annihilation(y))) +def TestSummation() = + (( 2.0 * X() + | E() + | 0.0 * V() + | 0.0 * V'() + | Summation(1.0,1.0,1.0,x,e,v) + | Annihilation(v))) +def TestSummationInv() = + (( 2.0 * Y() + | R() + | 0.0 * E() + | 0.0 * E'() + | SummationInv(1.0,1.0,1.0,y,r,e) + | Annihilation(e))) +( System() +| (2.0 * x0) * R() @ 100000.0 +| (2.0 * x0) * R'() @ 50000.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.dna new file mode 100644 index 0000000..f977c76 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.dna @@ -0,0 +1,207 @@ +directive simulation {final=150000; plots=[([R()] - [R'()]); ([V()] - [V'()]); ([Y()] - [Y'()]); ([L()] - [L'()])]; } +directive simulator deterministic +directive deterministic {stiff=true} +directive parameters [ + deg = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + cat = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + pol = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + nick = 0.0167, {interval=Real; distribution=Uniform(0.0167,0.0167); variation=Fixed}; + x0 = 4, {interval=Real; distribution=Uniform(4,4); variation=Fixed}; + ann = 0.01, {interval=Real; distribution=Uniform(0.01,0.01); variation=Fixed}; + bind = 5.4E-06, {interval=Real; distribution=Uniform(5.4E-06,5.4E-06); variation=Fixed}; + bind2 = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + bind1 = 5E-05, {interval=Real; distribution=Uniform(5E-05,5E-05); variation=Fixed}; + unbind = 0.1126, {interval=Real; distribution=Uniform(0.1126,0.1126); variation=Fixed}; + Cmax = 1000, {interval=Real; distribution=Uniform(1000,1000); variation=Fixed}; + c = 0.0008, {interval=Real; distribution=Uniform(0.0008,0.0008); variation=Fixed}; + kt = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + ku = 0.001, {interval=Real; distribution=Uniform(0.001,0.001); variation=Fixed}; + s = 2, {interval=Real; distribution=Uniform(2,2); variation=Fixed}; +] +directive compilation infinite +directive declare +def kbind = bind1 +dom x1 = {colour = "red"; bind = kbind; unbind = unbind} +dom x2 = {colour = "red"; bind = kbind; unbind = unbind} +dom r1 = {colour = "purple"; bind = kbind; unbind = unbind} +dom r2 = {colour = "purple"; bind = kbind; unbind = unbind} +dom e1 = {colour = "blue"; bind = kbind; unbind = unbind} +dom e2 = {colour = "blue"; bind = kbind; unbind = unbind} +dom v1 = {colour = "orange"; bind = kbind; unbind = unbind} +dom v2 = {colour = "orange"; bind = kbind; unbind = unbind} +dom y1 = {colour = "green"; bind = kbind; unbind = unbind} +dom y2 = {colour = "green"; bind = kbind; unbind = unbind} +dom t = {colour = "cyan"; bind = bind2; unbind = unbind} +dom u = {colour = "magenta"; bind = bind2; unbind = unbind} +dom rh = {colour = "brown"} +dom eh = {colour = "brown"} +dom vh = {colour = "brown"} +dom xh = {colour = "brown"} +dom yh = {colour = "brown"} +dom dx = {bind = ann; subdomains = [ x1; x2 ]} +dom dr = {bind = ann; subdomains = [ r1; r2 ]} +dom de = {bind = ann; subdomains = [ e1; e2 ]} +dom dv = {bind = ann; subdomains = [ v1; v2 ]} +dom dy = {bind = ann; subdomains = [ y1; y2 ]} +new rs +new rs' +new es +new es' +new vs +new vs' +new xs +new xs' +new ys +new ys' +new load +new load' +new prom +def Signal((x1, x2, xs, xs', xh)) = +def Signal'((x1, x2, xs, xs', xh)) = +def Template((x1, x2, xs, xs', xh), (y1, y2, ys, ys', yh)) = [xs* t^*]::[prom ys y1^ y2^ yh] +def Template'((x1, x2, xs, xs', xh), (y1, y2, ys, ys', yh)) = [xs'* t^*]::[prom ys' y2^* y1^* yh] +def TemplateOff((x1, x2, xs, xs', xh), (y1, y2, ys, ys', yh)) = [u^* xs*]::[prom ys y1^ y2^ yh] +def TemplateOff'((x1, x2, xs, xs', xh), (y1, y2, ys, ys', yh)) = [u^* xs'*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv((x1, x2, xs, xs', xh), (y1, y2, ys, ys', yh)) = [u^* xs*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv'((x1, x2, xs, xs', xh), (y1, y2, ys, ys', yh)) = [u^* xs'*]::[prom ys y1^ y2^ yh] +def TemplateInv((x1, x2, xs, xs', xh), (y1, y2, ys, ys', yh)) = [xs* t^*]::[prom ys' y2^* y1^* yh] +def TemplateInv'((x1, x2, xs, xs', xh), (y1, y2, ys, ys', yh)) = [xs'* t^*]::[prom ys y1^ y2^ yh] +def Transducer((x1, x2, xs, xs', xh)) = [t^ xs]{x1^*} +def Transducer'((x1, x2, xs, xs', xh)) = [t^ xs']{x2^} +def TransducerRev((x1, x2, xs, xs', xh)) = {t^*}[xs x1^] +def TransducerRev'((x1, x2, xs, xs', xh)) = {t^*}[xs' x2^*] +def Rev((x1, x2, xs, xs', xh)) = +def Rev'((x1, x2, xs, xs', xh)) = +def Fwd(t, (x1, x2, xs, xs', xh)) = +def Fwd'(t, (x1, x2, xs, xs', xh)) = +def Ann((x1, x2, xs, xs', xh)) = {xh}[x1^ x2^]{xs'} +def r = (r1,r2,rs,rs',rh) +def e = (e1,e2,es,es',eh) +def v = (v1,v2,vs,vs',vh) +def y = (y1,y2,ys,ys',yh) +def x = (x1,x2,xs,xs',xh) +def Catalysis(k, x, y) = + (( (Cmax * k) * TemplateOff(x,y) + | (Cmax * k) * Transducer(x) + | (Cmax * k) * TransducerRev(x) + | (Cmax * k) * Rev(x) + | rxn Template(x,y) ->{pol} Template(x,y) + Signal(y) + | 0.0 * Template(x,y) + | 0.0 * Fwd(t,x))) +def Catalysis'(k, x, y) = + (( (Cmax * k) * TemplateOff'(x,y) + | (Cmax * k) * Transducer'(x) + | (Cmax * k) * TransducerRev'(x) + | (Cmax * k) * Rev'(x) + | rxn Template'(x,y) ->{pol} Template'(x,y) + Signal'(y))) +def CatalysisInv(k, x, y) = + (( (Cmax * k) * TemplateOffInv(x,y) + | (Cmax * k) * Transducer(x) + | (Cmax * k) * TransducerRev(x) + | (Cmax * k) * Rev(x) + | rxn TemplateInv(x,y) ->{pol} TemplateInv(x,y) + Signal'(y))) +def CatalysisInv'(k, x, y) = + (( (Cmax * k) * TemplateOffInv'(x,y) + | (Cmax * k) * Transducer'(x) + | (Cmax * k) * TransducerRev'(x) + | (Cmax * k) * Rev'(x) + | rxn TemplateInv'(x,y) ->{pol} TemplateInv'(x,y) + Signal(y))) +def Degradation(k, x) = ( rxn Signal(x) ->{(deg / k)} ) +def Degradation'(k, x) = ( rxn Signal'(x) ->{(deg / k)} ) +def Annihilation(x) = 0.0 * Ann(x) +def Catalysis2(k, x, y) = + (( Catalysis(k,x,y) + | Catalysis'(k,x,y))) +def Catalysis2Inv(k, x, y) = + (( CatalysisInv(k,x,y) + | CatalysisInv'(k,x,y))) +def Degradation2(k, x) = + (( Degradation(k,x) + | Degradation'(k,x))) +def Integration(kI, x, y) = Catalysis2(kI,x,y) +def Gain(k, kD, x, y) = + (( Catalysis2(k,x,y) + | Degradation2(kD,y))) +def Summation(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2(k2,x2,y) + | Degradation2(kD,y))) +def SummationInv(k1, k2, kD, x1, x2, y) = + (( Catalysis2(k1,x1,y) + | Catalysis2Inv(k2,x2,y) + | Degradation2(kD,y))) +def PI(kP, kI, r, y, v, e) = + (( SummationInv(1.0,1.0,1.0,r,y,e) + | Integration(kI,e,x) + | Summation(kP,1.0,1.0,e,x,v) + | Annihilation(x))) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = + (( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) + | rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) + | rxn Signal(y) ->{0.1} + | rxn Signal'(y) ->{0.1} + | rxn Signal'(y) + Signal(y) ->{0.1} + | rxn L() + Signal(y) ->{0.01} L() + | rxn L'() + Signal'(y) ->{0.01} L'() + | rxn L() + L'() ->{1} )) +def System() = + (( 0.0 * V() + | 0.0 * V'() + | 0.0 * Y() + | 0.0 * Y'() + | 0.0 * L() + | 0.0 * L'() + | x0 * R() + | 0.0 * R'() + | PI(1.0,1.0,r,y,v,e) + | Plant(v,y) + | Annihilation(r) + | Annihilation(v) + | Annihilation(e))) +def TestAnnihilation() = + (( 2.0 * X() + | X'() + | Annihilation(x))) +def TestCatalysis() = + (( X() + | 0.0 * Y() + | Catalysis(1.0,x,y))) +def TestDegradation() = + (( X() + | 0.0 * X'() + | Degradation(1.0,x))) +def TestGain() = + (( X() + | 0.0 * Y() + | 0.0 * Y'() + | Gain(1.0,2.0,x,y) + | Annihilation(y))) +def TestSummation() = + (( 2.0 * X() + | E() + | 0.0 * V() + | 0.0 * V'() + | Summation(1.0,1.0,1.0,x,e,v) + | Annihilation(v))) +def TestSummationInv() = + (( 2.0 * Y() + | R() + | 0.0 * E() + | 0.0 * E'() + | SummationInv(1.0,1.0,1.0,y,r,e) + | Annihilation(e))) +( System() +| (2.0 * x0) * R() @ 100000.0 +| (2.0 * x0) * R'() @ 50000.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - And Gate.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - And Gate.dna new file mode 100644 index 0000000..10fa27e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - And Gate.dna @@ -0,0 +1,29 @@ +directive simulation {plots=[; Gate()]; } +dom S1 = {seq = CTTTCCTACA} +dom S2a = {seq = CCTACG} +dom S2b = {seq = TCTCCA; bind = 0.00042; unbind = 0.04} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4a = {seq = CATTCAATAC} +dom S4b = {seq = CCTACG} +dom S5 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S6 = {seq = CCACATACATCATATT} +dom S7 = {seq = TACTTATTAGCC} +dom S8 = {seq = GACA; bind = 0.0005; unbind = 0.00019} +dom S9a = {seq = CTACTTTCAC} +dom S9b = {seq = CCTACG} +dom S10 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S31 = {seq = CACACA} +dom S32 = {seq = ACTTCAGTCATTAAGC} +dom S33 = {seq = AGAC} +dom S34 = {seq = CCATACAAGTATCA} +def FuelOne() = +def FuelTwo() = +def Gate() = {S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*} +def AndGate(N) = + (( N * Gate() + | N * + | N * + | N * FuelOne() + | N * FuelTwo())) +AndGate(10.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Autocatalytic.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Autocatalytic.dna new file mode 100644 index 0000000..81b5e7b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Autocatalytic.dna @@ -0,0 +1,23 @@ +directive simulation {points=100; plots=[Fuel(); Autocatalyst(); ]; } +directive stochastic {scale=500} +directive polymers +dom S1 = {seq = CTTTCCTACA} +dom S2a = {seq = CCTACG} +dom S2b = {seq = TCTCCA} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4a = {seq = CATTCAATAC} +dom S4b = {seq = CCTACG} +dom S5 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S6 = {seq = CCACATACATCATATT} +def Fuel() = +def Autocatalyst() = +def Substrate() = [S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*} +def Autocatalytic(N) = + (( N * Fuel() + | N * Autocatalyst() + | N * Substrate())) +def FluorescingAutocatalytic(N) = + (( Autocatalytic(N) + | N * [S6 S3^]{S4a^* S4b^*})) +FluorescingAutocatalytic(100.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Cross Catalytic.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Cross Catalytic.dna new file mode 100644 index 0000000..4150387 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Cross Catalytic.dna @@ -0,0 +1,27 @@ +directive simulation {plots=[catalyst0(); catalyst1(); ]; } +dom S1 = {seq = CTTTCCTACA} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4a = {seq = CATTCAATAC} +dom S6 = {seq = CCACATACATCATATT} +dom S7 = {seq = TACTTATTAGCC} +dom S8 = {seq = GACA; bind = 0.0005; unbind = 0.00019} +dom S9a = {seq = CTACTTTCAC} +dom x = {seq = CCTACG} +dom y = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +def Fuel0() = +def Substrate0() = [x^ y^ S7]:[S8^ S9a x^]{y^*} +def Fuel1() = +def Substrate1() = [x^ y^ S2c]:[S3^ S4a^ x^]{y^*} +def catalyst0() = +def catalyst1() = +def crosscatalytic(N, M) = + (( N * Fuel0() + | N * Substrate0() + | N * Fuel1() + | N * Substrate1() + | M * catalyst0() + | M * catalyst1())) +def reporter(N) = N * [S6 S3^]{S4a^*} +( crosscatalytic(10.0,5.0) +| reporter(10.0)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Feed forward.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Feed forward.dna new file mode 100644 index 0000000..5bc571a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Feed forward.dna @@ -0,0 +1,30 @@ +directive simulation {plots=[F0(); F1(); ]; } +dom S1 = {seq = CTTTCCTACA} +dom S2a = {seq = CCTACG} +dom S2b = {seq = TCTCCA; bind = 0.00042; unbind = 0.04} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4a = {seq = CATTCAATAC} +dom S4b = {seq = CCTACG} +dom S5 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S6 = {seq = CCACATACATCATATT} +dom S7 = {seq = TACTTATTAGCC} +dom S8 = {seq = GACA; bind = 0.0005; unbind = 0.00019} +dom S9a = {seq = CTACTTTCAC} +dom S9b = {seq = CCTACG} +dom S10 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +def F0() = +def F1() = +def OBSB0() = [S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*} +def C0() = +def OBSB1() = [S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*} +def Feedforward(N) = + (( N * F0() + | N * OBSB0() + | N * C0() + | N * F1() + | N * OBSB1())) +def FluorescingFeedforward(N) = + (( Feedforward(N) + | N * [S1 S2a]{S2b^*})) +FluorescingFeedforward(100.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Fluorescent Catalytic.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Fluorescent Catalytic.dna new file mode 100644 index 0000000..aba82cd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Fluorescent Catalytic.dna @@ -0,0 +1,23 @@ +directive simulation {final=7000; plots=[Fuel _; Reporter(); ]; } +directive stochastic {scale=500} +dom S1 = {seq = CTTTCCTACA} +dom S2a = {seq = CCTACG} +dom S2b = {seq = TCTCCA} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4 = {seq = CATTCAATACCCTACG} +dom S5 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S6 = {seq = CCACATACATCATATT} +def S2 = (S2a,S2b,S2c) +def Fuel((ta, tb, tc)) = +def Substrate(o, (ta, tb, tc), s, t, r, f) = [ta tb^ tc]:[t^ r]{f^*} +def Catalyst() = +def Reporter() = [S1 S2a]{S2b^*} +def Catalytic(N) = + (( (N + 5.0) * Fuel(S2) + | N * Substrate(S1,S2,S6,S3,S4,S5) + | N * Catalyst())) +def FluoresingCatalytic(N) = + (( Catalytic(N) + | N * Reporter())) +FluoresingCatalytic(10.0) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Independent Input.dna b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Independent Input.dna new file mode 100644 index 0000000..437dd52 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/classicDsd/Zhang, Science 2007 - Independent Input.dna @@ -0,0 +1,13 @@ +directive simulation {plots=[; fuel _]; } +dom S11 = {seq = ACCTAATAGC} +dom S12 = {seq = ACCACATCAA} +dom S13 = {seq = TCTCGATCCAGTAC} +dom S14 = {seq = ACCT} +dom S15 = {seq = CTTCACGAACATTTCA} +dom S16 = {seq = TAGCCA} +def catalyst(N) = N * +def fuel(N) = N * +def substrate(N) = N * [S12^]:[S13 S14^]{S15^*} +( fuel(100.0) +| substrate(100.0) +| catalyst(10.0)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Kim - Oscillator.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Kim - Oscillator.crn new file mode 100644 index 0000000..b9a387a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Kim - Oscillator.crn @@ -0,0 +1,44 @@ +directive sample 0.0,72000.0 1000 +directive plot "[prom trI2 ta2^ a2^ t^ h]"; "[prom tra1 a1^ ta1^ tdI1^ t^ h]" +directive simulation deterministicstiff +directive parameters + [ kTA21 = 7.4E-05 + ; kTA12 = 1.4E-05 + ; kAI1 = 5.3E-05 + ; krAI1 = 2.4E-05 + ; kAI2 = 3.1E-05 + ; kTAI21 = 2.8E-05 + ; kTAI12 = 0.00014 + ; kAIrA1 = 2.8E-05 + ; cRNaseH = 15.0 + ; cRNAP = 125.0 + ; kRNAP = 0.0323 + ; kRNaseH = 0.0196 + ; S = 0.02 ] + +init "" 250.0 | +init "[p^ a1^ ta1^]{tdI1^*}" 0.0 | +init "" 500.0 | +init "[ta2^ a2^ t^]" 0.0 | +init "[prom tra1 a1^ ta1^ tdI1^ t^ h]" 120.0 | +init "{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" 0.0 | +init "[prom trI2 ta2^ a2^ t^ h]" 250.0 | +init "{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" 0.0 | +init "" 1000.0 | +init "" 0.0 | +init "{p^*}[a1^ ta1^ tdI1^]" 0.0 | +init "" 0.0 | +"[ta2^ a2^ t^]" ->{((S * 0.24) * (cRNaseH / 18.4))} "" | +"{p^*}[a1^ ta1^ tdI1^]" ->{((S * 0.05) * (cRNaseH / 76.5))} "" | +"{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" ->{(0.05 * (cRNAP / (68.5 + cRNAP)))} "{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" + "" | +"{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" ->{(0.08 * (cRNAP / (247.8 + cRNAP)))} "{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" + "" | +"[prom tra1 a1^ ta1^ tdI1^ t^ h]" ->{(0.002 * (cRNAP / (2620.02 + cRNAP)))} "[prom tra1 a1^ ta1^ tdI1^ t^ h]" + "" | +"[prom trI2 ta2^ a2^ t^ h]" ->{(0.02 * (cRNAP / (2670.2 + cRNAP)))} "[prom trI2 ta2^ a2^ t^ h]" + "" | +"[prom tra1 a1^ ta1^ tdI1^ t^ h]" + "" ->{kTA12} "{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" | +"[prom trI2 ta2^ a2^ t^ h]" + "" ->{kTA21} "{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" | +"[prom trI2 ta2^ a2^ t^ h]" + "[p^ a1^ ta1^]{tdI1^*}" <->{0.0}{kTAI21} "{ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h]" + "" | +"" + "" ->{kAI1} "[p^ a1^ ta1^]{tdI1^*}" | +"" + "" ->{krAI1} "{p^*}[a1^ ta1^ tdI1^]" | +"[p^ a1^ ta1^]{tdI1^*}" + "" <->{kAIrA1}{0.0} "{p^*}[a1^ ta1^ tdI1^]" + "" | +"{ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h]" + "" ->{kTAI12} "[ta2^ a2^ t^]" + "[prom tra1 a1^ ta1^ tdI1^ t^ h]" | +"" + "" ->{kAI2} "[ta2^ a2^ t^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Kim - Oscillator.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Kim - Oscillator.dna new file mode 100644 index 0000000..4e25a0d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Kim - Oscillator.dna @@ -0,0 +1,158 @@ +directive compilation infinite +directive concentration nM +directive polymers +directive parameters [ +kTA21 = 74000.0e-9; +kTA12 = 14000.0e-9; +kAI1 = 53000.0e-9; +krAI1 = 24000.0e-9; +kAI2 = 31000.0e-9; +kTAI21 = 28000.0e-9; +kTAI12 = 140000.0e-9; +kAIrA1 = 28000.0e-9; +cRNaseH = 1.5e+1; +cRNAP = 1.25e+2; +kRNAP = 0.0323; +kRNaseH = 0.0196; +S = 0.02 +] + +(*directive sweep S = [0.1,0.09,0.08,0.07,0.06,0.05,0.04,0.02,0.01]*) +directive sample 72000.0 1000 +directive simulation deterministicstiff +directive plot T21(); T12() (*; rI2(); A2() *) +dom ta2 = {bind = kTAI12; colour = "lightblue"} +dom a2 = {bind = kTA12; colour = "red"} +dom t = {bind = 0.0; colour = "blue"} (* negligible binding rate *) +dom p = {bind = 0.0; colour = "purple"} (* negligible binding rate *) +dom ta1 = {bind = kTAI21; colour = "darkgreen"} +dom a1 = {bind = kTA21; colour = "magenta" } +dom tdI1 = {bind = kAIrA1; colour = "black"} +dom AI1 = {bind = kAI1; subdomains = [p;a1;ta1]} +dom AI2 = {bind = kAI2; subdomains = [ta2;a2;t]} +dom rAI1 = {bind = krAI1; subdomains = [a1;ta1;tdI1]} +dom TA12 = {bind = kTA12; subdomains = [a2;t] } +dom TA21 = {bind = kTA21; subdomains = [t*;p;a1] } +(* +dom prom = {colour = "blue"} +dom h = {colour = "brown"} +dom trI2 = {colour = "lightgreen"} +*) + +new RNaseH new RNaseHA2rI2 new RNaseHrA1dI1 +new RNAP new RNAPT12A2 new RNAPT21A1 new RNAPT12 new RNAPT21 +def RNaseH() = +def RNaseHA2rI2() = +def RNaseHrA1dI1() = +def RNAP() = +def RNAPT12A2() = +def RNAPT21A1() = +def RNAPT12() = +def RNAPT21() = + +def rA1() = +def A1() = +def dI1() = +def A2() = +def rI2() = +def A2rI2() = [ta2^ a2^ t^] +def rA1dI1() = {p^*}[a1^ ta1^ tdI1^] +def A1dI1() = [p^ a1^ ta1^]{tdI1^*} +def T12() = [prom tra1 a1^ ta1^ tdI1^ t^ h] +def T12A2() = {ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h] +def T21() = [prom trI2 ta2^ a2^ t^ h] +def T21A1() = {ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h] +def T11A2() = {ta2^*}[a2^ t^]::[prom trI2 ta2^ a2^ t^ h] +def T11() = [prom trI2 ta2^ a2^ t^ h] + + +def kplus = 1.0e-1 +def kplusH = 1.0e-1 +def kminusON12 = 6.8 +def kminusOFF12 = 262.0 +def kminusON21 = 24.7 +def kminusOFF21 = 267.0 +def kminusH1 = 7.6 +def kminusH2 = 1.6 +def kcatON12 = 0.05 +def kcatOFF12 = 0.002 +def kcatON21 = 0.08 +def kcatOFF21 = 0.02 +def kcatH1 = 0.05 +def kcatH2 = 0.24 + +def KMH1 = (kminusH1 + kcatH1) / kplusH +def KMH2 = (kminusH2 + kcatH2) / kplusH +def KMON12 = (kminusON12 + kcatON12) / kplus +def KMON21 = (kminusON21 + kcatON21) / kplus +def KMOFF12 = (kminusOFF12 + kcatOFF12) / kplus +def KMOFF21 = (kminusOFF21 + kcatOFF21) / kplus + +def Activation() = +( 1.2e+2*T11() +| 5.0e+2*A2() +| 0*A2rI2() +| 0*T11A2() +| rxn A2rI2() ->{kRNaseH} A2() +| rxn T11A2() ->{kRNAP} T11A2() + rI2() +| 0*rI2() +) +def RNaseH_enzymatic() = +( 1.5e+1*RNaseH() +| rxn RNaseH() + A2rI2() <->{kplusH}{kminusH2} RNaseHA2rI2() +| rxn RNaseHA2rI2() ->{kcatH2} RNaseH() + A2() +| rxn RNaseH() + rA1dI1() <->{kplusH}{kminusH1} RNaseHrA1dI1() +| rxn RNaseHrA1dI1() ->{kcatH1} RNaseH() + dI1() +) +def RNaseH_firstorder() = +( rxn A2rI2() ->{S*kcatH2*cRNaseH/KMH2} A2() +| rxn rA1dI1() ->{S*kcatH1*cRNaseH/KMH1} dI1() +) +def RNAP_enzymatic() = +( 1.25e+2*RNAP() +| rxn RNAP() + T12A2() <->{kplus}{kminusON12} RNAPT12A2() +| rxn RNAPT12A2() ->{kcatON12} RNAP() + T12A2() + rA1() +| rxn RNAP() + T21A1() <->{kplus}{kminusON21} RNAPT21A1() +| rxn RNAPT21A1() ->{kcatON21} RNAP() + T21A1() + rI2() +| rxn RNAP() + T12() <->{kplus}{kminusOFF12} RNAPT12() +| rxn RNAPT12() ->{kcatOFF12} RNAP() + T12() + rA1() +| rxn RNAP() + T21() <->{kplus}{kminusOFF21} RNAPT21() +| rxn RNAPT21() ->{kcatOFF21} RNAP() + T21() + rI2() +) +def RNAP_firstorder() = +( rxn T12A2() ->{kcatON12*cRNAP/(KMON12 + cRNAP)} T12A2() + rA1() +| rxn T21A1() ->{kcatON21*cRNAP/(KMON21 + cRNAP)} T21A1() + rI2() +| rxn T12() ->{kcatOFF12*cRNAP/(KMOFF12 + cRNAP)} T12() + rA1() +| rxn T21() ->{kcatOFF21*cRNAP/(KMOFF21 + cRNAP)} T21() + rI2() +) +def System() = +( 1.2e+2*T12() +| 5.0e+2*A2() +| 2.5e+2*T21() +| 2.5e+2*A1() +| 1.0e+3*dI1() +| 0*rA1() +| 0*rI2() +| 0*A2rI2() +| 0*T12A2() +| 0*T21A1() +| 0*rA1dI1() +| 0*A1dI1() +| RNaseH_firstorder() +(* | RNaseH_enzymatic() *) +| RNAP_firstorder() +(* | RNAP_enzymatic() *) +) + +System() +(* Activation() *) + +(* +| RNaseH_enzymatic() +| RNaseH_firstorder() +| RNAP_enzymatic() +| RNAP_firstorder() + +System() +Activation() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Montagne - Oscillator.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Montagne - Oscillator.crn new file mode 100644 index 0000000..adfcd8f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Montagne - Oscillator.crn @@ -0,0 +1,63 @@ +directive sample 0.0,100000.0 1000 +directive plot ""; ""; "" +directive simulation deterministicstiff +directive parameters + [ ka = 0.00043333 + ; kda = 0.0383 + ; kdb = 0.0135 + ; kdInhT1 = 9.5E-05 + ; kdInhT3 = 3.5E-05 + ; kpol = 0.2833 + ; kIpol = 0.115 + ; knick = 0.05 + ; kexoa = 0.0053 + ; kexob = 0.0062 + ; kexoInh = 0.02 + ; ku = 0.0 ] + +init "" 0.1 | +init "" 0.1 | +init "[a^ b^]" 0.0 | +init "[b^ inh^]" 0.0 | +init "[a^ a^]" 0.0 | +init "" 0.1 | +init "[a^ inh^ a^]" 0.0 | +init "[a^]:[b^]" 0.0 | +init "{a^*}[b^]" 0.0 | +init "{a^* b^*}" 5.0 | +init "[a^]{b^*}" 0.0 | +init "[b^]:[inh^]" 0.0 | +init "{b^*}[inh^]" 0.0 | +init "{b^* inh^*}" 30.0 | +init "[b^]{inh^*}" 0.0 | +init "[a^]:[a^]" 0.0 | +init "{a^*}[a^]" 0.0 | +init "{a^* a^*}" 30.0 | +init "[a^]{a^*}" 0.0 | +"[a^]{b^*}" ->{kpol} "[a^ b^]" | +"[a^ b^]" ->{knick} "[a^]:[b^]" | +"[a^]:[b^]" ->{kpol} "[a^ b^]" + "" | +"[b^]{inh^*}" ->{kIpol} "[b^ inh^]" | +"[b^ inh^]" ->{knick} "[b^]:[inh^]" | +"[b^]:[inh^]" ->{kIpol} "[b^ inh^]" + "" | +"[a^]{a^*}" ->{kpol} "[a^ a^]" | +"[a^ a^]" ->{knick} "[a^]:[a^]" | +"[a^]:[a^]" ->{kpol} "[a^ a^]" + "" | +"" + "{a^* a^*}" <->{ka}{kdInhT1} "[a^ inh^ a^]" | +"" + "[a^]{a^*}" <->{ka}{ku} "[a^ inh^ a^]" + "" | +"" + "{a^*}[a^]" <->{ka}{ku} "[a^ inh^ a^]" + "" | +"" ->{kexoa} | +"" ->{kexob} | +"" ->{kexoInh} | +"[a^]:[b^]" <->{kda}{ka} "{a^*}[b^]" + "" | +"{a^*}[b^]" <->{kdb}{ka} "{a^* b^*}" + "" | +"{a^* b^*}" + "" <->{ka}{kda} "[a^]{b^*}" | +"[a^]:[b^]" <->{kdb}{ka} "[a^]{b^*}" + "" | +"[b^]:[inh^]" <->{kdb}{ka} "{b^*}[inh^]" + "" | +"{b^*}[inh^]" <->{kdInhT3}{ka} "{b^* inh^*}" + "" | +"{b^* inh^*}" + "" <->{ka}{kdb} "[b^]{inh^*}" | +"[b^]:[inh^]" <->{kdInhT3}{ka} "[b^]{inh^*}" + "" | +"[a^]:[a^]" <->{kda}{ka} "{a^*}[a^]" + "" | +"{a^*}[a^]" <->{kda}{ka} "{a^* a^*}" + "" | +"{a^* a^*}" + "" <->{ka}{kda} "[a^]{a^*}" | +"[a^]:[a^]" <->{kda}{ka} "[a^]{a^*}" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Montagne - Oscillator.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Montagne - Oscillator.dna new file mode 100644 index 0000000..c1589a1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2011 Mol Syst Biol - Montagne - Oscillator.dna @@ -0,0 +1,98 @@ + +directive parameters + [ ka = 4.3333e-04 + ; kda = 0.0383 + ; kdb = 0.0135 + ; kdInhT1 = 9.5e-5 + ; kdInhT3 = 3.5e-5 + ; kpol = 0.2833 + ; kIpol = 0.1150 + ; knick = 0.05 + ; kexoa = 0.0053 + ; kexob = 0.0062 + ; kexoInh = 0.02 + ; ku = 0.0 + ] + +(*directive sweep s2 = {inh0 = [0.0,0.1,0.3,0.5,0.8,1.0]}*) +directive unproductive +directive simulation deterministicstiff +directive duration 100000.0 points 1000 +directive plot A(); B(); Inh() + +dom a = {bind = ka; unbind = kda; colour = "red"} +dom b = {bind = ka; unbind = kdb; colour = "green"} +dom inh = {bind = ka; unbind = kdInhT3; colour = "blue"} + +def Signal(x) = +def Primed(x,y) = [x^]{y^*} +def Extended(x,y) = [x^ y^] +def Template(x,y) = {x^* y^*} +def LHTemplate(x,y) = [x^]{y^*} +def RHTemplate(x,y) = {x^*}[y^] +def Nicked(x,y) = [x^]:[y^] +def Inhibited(x,y) = [y^ x^ y^] + +def Activation(N,x,y,kp,kn) = +( N * Template(x,y) +| rxn Primed(x,y) ->{kp} Extended(x,y) +| rxn Extended(x,y) ->{kn} Nicked(x,y) +| rxn Nicked(x,y) ->{kp} Extended(x,y) + Signal(y) +| 0*Primed(x,y) +| 0*Extended(x,y) +| 0*Nicked(x,y) +) +def Repression(N,x,y,kp,kn) = +( Activation(N,y,y,kp,kn) +| rxn Signal(x) + Template(y,y) <->{ka,kdInhT1} Inhibited(x,y) +| rxn Signal(x) + LHTemplate(y,y) <->{ka,ku} Inhibited(x,y) + Signal(y) +| rxn Signal(x) + RHTemplate(y,y) <->{ka,ku} Inhibited(x,y) + Signal(y) +| 0*Inhibited(x,y) +) +def Exo(x,k) =(rxn Signal(x) ->{k} ) +def A() = Signal(a) +def B() = Signal(b) +def Inh() = Signal(inh) +def Oscillator() = +( 0.1 * A() +| 0.1 * B() +| 0.1 * Inh() +| Activation(5.0,a,b,kpol,knick) +| Activation(30.0,b,inh,kIpol,knick) +| Repression (30.0,inh,a,kpol,knick) +| Exo(a,kexoa) +| Exo(b,kexob) +| Exo(inh,kexoInh) +) +def Catalysis() = +( 0.1 * A() +| 0.1 * B() +| Activation(5.0,a,b,kpol,knick) +) + +Oscillator() + + +(* +Oscillator() +Catalysis() + +(Signal(A) | Activation(1.0,A,A) | Exo(A)) + +(inh0 * Signal(Inh) +|0.01 * Signal(A) +| Repression(1.0,Inh,A)) + + +(0.1 * Signal(A) +|0.1 * Signal(B) +|0.1 * Signal(C) +| Activation(1.0,A,B) +| Activation(1.0,B,C) +| Repression (10.0,C,A) +| Exo(A) +| Exo(B) +| Exo(C) +) + +*) diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Buffered Oscillator.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Buffered Oscillator.crn new file mode 100644 index 0000000..895dcd5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Buffered Oscillator.crn @@ -0,0 +1,593 @@ +directive sample 0.0,250000.0 1000 +(*directive plot sum("";"";""); sum("";"";""); sum("";"";"")*) +directive reltolerance 0.0001 +directive scale 100.0 + +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 100.0 | +init "" 1000.0 | +init "[J]{t^*}" 1000.0 | +init "[K]{t^*}" 1000.0 | +init "" 100.0 | +init "" 10.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 0.0 | +init "[K t^]" 0.0 | +init "" 0.0 | +init "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 100.0 | +init "" 1000.0 | +init "[J.3]{t^*}" 1000.0 | +init "[K.4]{t^*}" 1000.0 | +init "" 100.0 | +init "" 10.0 | +init "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "" 0.0 | +init "[K.4 t^]" 0.0 | +init "" 0.0 | +init "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 100.0 | +init "" 1000.0 | +init "[J.8]{t^*}" 1000.0 | +init "[K.9]{t^*}" 1000.0 | +init "" 100.0 | +init "" 10.0 | +init "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "" 0.0 | +init "[K.9 t^]" 0.0 | +init "" 0.0 | +init "" 2.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 4.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[J t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 2.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[J.8 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[J.3 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" 0.0 | +init "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +init "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" 0.0 | +"{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[K]{t^*}" + "" ->{0.0003} "[K t^]" + "" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[K.4]{t^*}" + "" ->{0.0003} "[K.4 t^]" + "" | +"[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[K.9]{t^*}" + "" ->{0.0003} "[K.9 t^]" + "" | +"[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" + "" | +"[J]{t^*}" + "" ->{0.0003} "[J t^]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "{t^*}[K t^]:[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "{t^*}[K.9 t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^]:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 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t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^ I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^ J]{t^*}:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[J.3]{t^*}" + "" ->{0.0003} "[J.3 t^]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]{t^*}:[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" + "" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.9]:[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" + "" <->{0.0003}{0.1126} "[t^ K.9]:[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]:[J.8 t^]:[I.7]" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" ->{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^ I.7]" + "" | +"[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]:[t^]:[I.7]" <->{0.1126}{0.0003} "[t^ K.9]:[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^ J.8]{t^*}:[I.7]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "{t^*}[K.4 t^]:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]{t^*}:[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" + "" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" ->{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^ I.2]" + "" | +"[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]:[t^]:[I.2]" <->{0.1126}{0.0003} "[t^ K.4]:[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^ J.3]{t^*}:[I.2]" + "" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" | +"[t^ K.4]:[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" + "" <->{0.0003}{0.1126} "[t^ K.4]:[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]:[J.3 t^]:[I.2]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Buffered Oscillator.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Buffered Oscillator.dna new file mode 100644 index 0000000..b5e737c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Buffered Oscillator.dna @@ -0,0 +1,37 @@ +directive sample 250000.0 1000 +(* directive plot sum(<_ t^ A>); sum(<_ t^ B>); sum(<_ t^ C>); + {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I] +*) +directive scale 100.0 +directive reltolerance 1e-4 + +def bind = 0.0003 +def unbind = 0.1126 +new t@bind,unbind + +(* Signal species A. *) +def Species(M, h, A) = M * + +(* Buffered join gate A + B -> C + D. *) +def BJ2x2(Buffer,Fuel,Init,A,B,C,D) = +new I new J new K new Ch new Dh +( Buffer * {t^*}[K t^]:[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] +| Fuel * +| Fuel * [J]{t^*} +| Fuel * [K]{t^*} +| (Init*10) * +| Init * ) + +(* Buffered three-phase oscillator (ABC). *) +def Buffer = 100 +def Init = 10 +def Fuel = 1000 +new Ah new A new Bh new B new Ch new C +( BJ2x2(Buffer, Fuel, Init, A, B, B, B) +| BJ2x2(Buffer, Fuel, Init, B, C, C, C) +| BJ2x2(Buffer, Fuel, Init, C, A, A, A) +| Species(2, Ah, A) +| Species(4, Bh, B) +| Species(2, Ch, C) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Join Gates.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Join Gates.crn new file mode 100644 index 0000000..1d6dabe --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Join Gates.crn @@ -0,0 +1,41 @@ +directive sample 0.0,2000000.0 1000 +directive plot sum(""); sum(""); sum(""); sum(""); "" +directive scale 100.0 + +init "{t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 1000.0 | +init "" 1000.0 | +init "[J]{t^*}" 1000.0 | +init "[K]{t^*}" 1000.0 | +init "" 10.0 | +init "" 1.0 | +init "[t^ K]:[t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]{t^*}:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 0.0 | +init "[K t^]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "" 1.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch t^]:[Dh t^]:[J t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^]:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]{t^*}:[I]" 0.0 | +init "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^ I]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[J t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +"{t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" | +"[K]{t^*}" + "" ->{0.0003} "[K t^]" + "" | +"[t^ K]:[t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]{t^*}:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]{t^*}:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]{t^*}:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]{t^*}:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" <->{0.0003}{0.1126} "[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" | +"[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^]:[I]" + "" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^]:[Ch t^]:[Dh t^]:[J t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]{t^*}:[Ch t^]:[Dh t^]:[J t^]:[I]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]{t^*}:[I]" + "" ->{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^ I]" + "" | +"[J]{t^*}" + "" ->{0.0003} "[J t^]" + "" | +"[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]:[t^]:[I]" <->{0.1126}{0.0003} "[t^ K]:[t^ A]:[t^ B]:[t^ Ch t^ Dh t^ J]{t^*}:[I]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Join Gates.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Join Gates.dna new file mode 100644 index 0000000..87910ca --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Join Gates.dna @@ -0,0 +1,54 @@ +directive sample 2000000.0 1000 +directive plot sum(); sum(); sum(); + sum(); ; + {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I] +directive scale 100.0 + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new t@bind,unbind + +(* Signal species with history domain h and signal domain A. *) +def Species(M,h,A) = M * + +(* Buffered join gate A + B -> C + D. *) +def BJ2x2(Buffer,Fuel,Init,A,B,C,D) = + new I new J new K new Ch new Dh + ( Buffer * {t^*}[K t^]:[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * [K]{t^*} + | (Init*10) * + | Init * ) + +(* Unbuffered join gate (with garbage collection) A + B -> C + D. *) +def J2x2(Fuel, N, A, B, C, D) = + new I new J new K new Ch new Dh + ( N * {t^*}[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * {t^*}[K] + | (N*10) * ) + +(* ********** Examples ********** *) + +(* Single buffered reaction A + B -> C + D. *) +(* Set Buffer and Fuel to 100 when enabling leaks. *) +def Buffer = 1000 +def Fuel = 1000 +def Init = 1 +( BJ2x2(Buffer, Fuel, Init, A, B, C, D) +| Species(1,hA,A) +| Species(1,hB,B) ) + +(* Single unbuffered reaction A + B -> C + D. *) +(* Set Fuel to 100 when enabling leaks. *) +(* +def Fuel = 1000 +def N = 1 +( J2x2(Fuel, N, A, B, C, D) +| Species(1,hA,A) +| Species(1,hB,B) ) +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Unbuffered Oscillator.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Unbuffered Oscillator.crn new file mode 100644 index 0000000..79e0689 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Unbuffered Oscillator.crn @@ -0,0 +1,406 @@ +directive sample 0.0,5000000.0 5000 + +(*directive plot sum("";"";""); sum("";"";""); sum("";"";"") *) +directive reltolerance 0.0001 +directive scale 100.0 +directive simulation deterministicstiff + +init "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 100.0 | +init "" 1000.0 | +init "" 1000.0 | +init "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 100.0 | +init "" 1000.0 | +init "" 1000.0 | +init "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 100.0 | +init "" 1000.0 | +init "" 1000.0 | +init "" 2.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "" 4.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "" 2.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" 0.0 | +init "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +init "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" 0.0 | +"{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"{t^*}[C t^]:[A t^]:[Ch.10 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"[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" ->{0.0003} "[t^ A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ 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A]:[t^ B]:[t^ Ch.1 t^ Dh t^]" + "" + "" | +"[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" <->{0.1126}{0.0003} "[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]:[t^ B]{t^*}:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^ B]:[t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ 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+ "" | +"{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"{t^*}[A t^]:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ A]{t^*}:[B t^]:[Ch.1 t^]:[Dh t^]" + "" <->{0.0003}{0.1126} "[t^ A]:[t^]:[B t^]:[Ch.1 t^]:[Dh t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" ->{0.0003} "[t^ C]:[t^ A]:[t^ Ch.10 t^ Dh.11 t^]" + "" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^ A]{t^*}:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^ A]:[t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" | +"{t^*}[B t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^]:[C t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" ->{0.0003} "[t^ B]:[t^ C]:[t^ Ch.5 t^ Dh.6 t^]" + "" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" <->{0.1126}{0.0003} "[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" <->{0.1126}{0.0003} "{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"{t^*}[C t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ C]{t^*}:[A t^]:[Ch.10 t^]:[Dh.11 t^]" + "" <->{0.0003}{0.1126} "[t^ C]:[t^]:[A t^]:[Ch.10 t^]:[Dh.11 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]{t^*}:[C t^]:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" | +"[t^ B]:[t^ C]{t^*}:[Ch.5 t^]:[Dh.6 t^]" + "" <->{0.0003}{0.1126} "[t^ B]:[t^ C]:[t^]:[Ch.5 t^]:[Dh.6 t^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Unbuffered Oscillator.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Unbuffered Oscillator.dna new file mode 100644 index 0000000..7cf7a46 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin - Unbuffered Oscillator.dna @@ -0,0 +1,34 @@ +directive sample 5000000.0 5000 +(*directive plot sum(<_ t^ A>); sum(<_ t^ B>); sum(<_ t^ C>); + {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^]; + {t^*}[B t^]:[C t^]:[Ch t^]:[Dh t^]; + {t^*}[C t^]:[A t^]:[Ch t^]:[Dh t^]*) + +directive scale 100.0 +directive reltolerance 1e-4 +directive simulation deterministicstiff + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new t@bind,unbind + +(* Signal species A. *) +def Species(M, h, A) = M * + +(* Unbuffered join gate (no GC) A + B -> C + D. *) +def J2x2_NoGC(Fuel, N, A, B, C, D) = +new I new J new K new Ch new Dh +( N * {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^] +| Fuel * +| (N*10) * ) + +(* Unbuffeed three-phase oscillator (ABC). *) +def N = 100 +def Fuel = 1000 +new Ah new A new Bh new B new Ch new C +( J2x2_NoGC(Fuel, N, A, B, B, B) +| J2x2_NoGC(Fuel, N, B, C, C, C) +| J2x2_NoGC(Fuel, N, C, A, A, A) +| Species(2, Ah, A) +| Species(4, Bh, B) +| Species(2, Ch, C) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin Parker - Examples.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin Parker - Examples.crn new file mode 100644 index 0000000..049cc2c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin Parker - Examples.crn @@ -0,0 +1,46 @@ +directive sample 0.0,300000.0 1000 + +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x0 t^]:[c]:[a t^]:[a]" 1.0 | +init "[t^ x0]{t^*}:[c]:[a t^]:[a]" 0.0 | +init "[t^ x0]:[t^ c a]{t^*}:[a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x0]:[t^ x1]:[c]:[t^ a]{t^*}" 1.0 | +init "[x0]:[t^ x1]:[c]{t^*}:[a t^]" 0.0 | +init "[x0]{t^*}:[x1 c t^]:[a t^]" 0.0 | +init "[x0 t^]:[x1 c t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ x0]:[t^ c a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x1 t^]:[c.1]:[a t^]:[a]" 1.0 | +init "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]{t^*}:[a]" 0.0 | +init "[t^ x1]:[t^ c.1 a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" 1.0 | +init "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" 0.0 | +init "[x1]{t^*}:[x2 c.1 t^]:[a t^]" 0.0 | +init "[x1 t^]:[x2 c.1 t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]{t^*}:[a]" + "" + "" | +"{t^*}[x0 t^]:[c]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x0]{t^*}:[c]:[a t^]:[a]" + "" | +"[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" ->{0.001} "[x0]{t^*}:[x1 c t^]:[a t^]" + "" + "" | +"[x0]{t^*}:[x1 c t^]:[a t^]" + "" ->{0.001} "[x0 t^]:[x1 c t^]:[a t^]" + "" | +"[t^ x0]:[t^ c a]{t^*}:[a]" + "" ->{0.001} "[t^ x0]:[t^ c a]:[t^ a]" + "" | +"[x0]:[t^ x1]:[c]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x0]:[t^ x1]:[c]{t^*}:[a t^]" + "" | +"[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" + "" | +"[t^ x1]:[t^ c.1 a]{t^*}:[a]" + "" ->{0.001} "[t^ x1]:[t^ c.1 a]:[t^ a]" + "" | +"{t^*}[x1 t^]:[c.1]:[a t^]:[a]" + "" <->{0.001}{0.001} "[t^ x1]{t^*}:[c.1]:[a t^]:[a]" + "" | +"[x1]:[t^ x2]:[c.1]:[t^ a]{t^*}" + "" <->{0.001}{0.001} "[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" | +"[x1]:[t^ x2]:[c.1]{t^*}:[a t^]" + "" ->{0.001} "[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" + "" | +"[x1]{t^*}:[x2 c.1 t^]:[a t^]" + "" ->{0.001} "[x1 t^]:[x2 c.1 t^]:[a t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin Parker - Examples.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin Parker - Examples.dna new file mode 100644 index 0000000..bb34cd9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2012 Interface - Lakin Parker - Examples.dna @@ -0,0 +1,208 @@ + +(* *********************************************** *) + +(* *** USE INFINITE SEMANTICS *** *) +directive compilation infinite +directive sample 300000.0 1000 +directive plot ; ; + +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) + +new t@bind,unbind + +(* *********************************************** *) + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +(* Transducer gate - fixed, with GC *) +def T2(N, x, y) = new a new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +(* Catalyst gate - with GC *) +def C(N,x,y,z) = new a new c +( N * {t^*}[x t^]:[y t^]:[c]:[a t^]:[a] +| N * +| N * [x]:[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| N * +) + +(* Catalyst gate - no GC *) +def C_NoGC(N,x,y,z) = new a new c +( N * {t^*}[x t^]:[y t^]:[c]:[a t^](*:[a]*) +| N * +| N * (*[x]:*)[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| N * +) + +(* Catalyst gate - no GC, using "constant" for fuels and waste *) +def C_NoGC_Constant(N,x,y,z) = new a new c +( constant N * {t^*}[x t^]:[y t^]:[c]:[a t^](*:[a]*) +| constant N * +| constant N * +| constant N * (*[x]:*)[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| constant N * +| constant N * [t^ x]:[t^ y]:[t^ c a]{t^*} (* 0? *) +| constant N * {t^*}[z c t^]:[y t^]:[a t^] (* 0? *) +| constant N * (* 0? *) +| constant N * (* 0? *) +| constant N * +) + +(* *********************************************** *) + +(* Example 1 - two buggy transducers in series *) +(* Increase N to see increased probability of correctness *) +(* *** DSD is OK up to N=4, crashes when N=5. *** *) + +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) ) + + +(* Example 2a - one corrected transducer (K=1) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 +def N = 1 +( S(N, x0) | T2(N, x0, x1) ) +*) + +(* Example 2b - two corrected transducers in series (K=2) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) ) +*) + +(* Example 2c - three corrected transducers in series (K=3) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) ) +*) + +(* Example 2d - four corrected transducers in series (K=4) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) ) +*) + +(* Example 2e - five corrected transducers in series (K=5) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) ) +*) + +(* Example 2f - six corrected transducers in series (K=6) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) ) +*) + +(* Example 2g - seven corrected transducers in series (K=7) *) +(* Don't modify N in this example *) +(* This is the longest chain example you can build in DSD. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) ) +*) + +(* Example 2h - eight corrected transducers in series (K=8) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) ) +*) + +(* Example 2i - nine corrected transducers in series (K=9) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) | T2(N, x8, x9) ) +*) + +(* Example 2j - ten corrected transducers in series (K=10) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 new x10 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) | T2(N, x8, x9) | T2(N, x9, x10) ) +*) + +(* *********************************************** *) + +(* Example 3 - catalyst gate with GC *) +(* Increase N to observe kinetics. *) +(* *** DSD is OK up to N=9, crashes when N=10. *** *) +(* +new x new y new z +def N = 9 +( S(N, x) | S(N, y) | C(N, x, y, z) ) +*) + +(* Example 4 - catalyst gate without GC *) +(* Increase N to observe kinetics *) +(* *** DSD is OK up to N=15, crashes when N=16. *** *) +(* +new x new y new z +def N = 15 +( S(N, x) | S(N, y) | C_NoGC(N, x, y, z) ) +*) + +(* *********************************************** *) + +(* Example 5 - approximate majority *) +(* Size of state space should be independent of N. *) +(* Modify InitialX and InitialY. *) +(* *** DSD is OK to InputX=3, InputY=3 if require InputX=InputY. *** *) +(* +new x new y new z new b +def Cat(N,x,y,z) = C_NoGC_Constant(N,x,y,z) +def InitialX = 3 +def InitialY = 3 +def N = 10000 +( C_NoGC_Constant(N,x,y,b) +| C_NoGC_Constant(N,y,x,b) +| C_NoGC_Constant(N,b,x,x) +| C_NoGC_Constant(N,b,y,y) +| InitialX * +| InitialY * ) +*) + +(* *********************************************** *) diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn new file mode 100644 index 0000000..5e98311 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn @@ -0,0 +1,249 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "{t^*}[x t^]:[x']" Cmax | +init "{t^*}[x' t^]:[x]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[r t^]:[r']" Cmax | +init "{t^*}[r' t^]:[r]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[v t^]:[v']" Cmax | +init "{t^*}[v' t^]:[v]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[e t^]:[e']" Cmax | +init "{t^*}[e' t^]:[e]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^(c)*}[r u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ r]{u^*}" Cmax | +init "{t^(c)*}[e u^]:[x u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e u^]:[v u^]:[i]" Cmax | +init "{t^(c)*}[x u^]:[v u^]:[i]" Cmax | +init "[i]:[t^ x]{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v]{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[r' u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ r']{u^*}" Cmax | +init "{t^(c)*}[e' u^]:[x' u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e' u^]:[v' u^]:[i]" Cmax | +init "{t^(c)*}[x' u^]:[v' u^]:[i]" Cmax | +init "[i]:[t^ x']{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v']{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[y u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ y]{u^*}" Cmax | +init "[i]:[t^ e']{u^*}" (4.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[y' u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ y']{u^*}" Cmax | +init "[i]:[t^ e]{u^*}" (4.0 * Cmax) | +init "" (2.0 * Cmax) | +init "" (10.0 * Cmax) | +init "" (10.0 * Cmax) | +init "{t^(c)*}[e]" Cmax | +init "{t^(c)*}[v]" Cmax | +init "{t^(c)*}[e']" Cmax | +init "{t^(c)*}[v']" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "[t^ r]{t^*}:[r']" 0.0 | +init "[t^(c) r]{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) r]:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) r]:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e u^]" 0.0 | +init "[i t^]:[e u^]" 0.0 | +init "" 0.0 | +init "[t^ e]{t^*}:[e']" 0.0 | +init "[t^(c) e]{u^*}:[x u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ x]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ x]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x u^]" 0.0 | +init "[i t^]:[x u^]" 0.0 | +init "" 0.0 | +init "[t^ x]{t^*}:[x']" 0.0 | +init "[t^(c) x]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) x]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) x]:[u^ v]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v u^]" 0.0 | +init "[i t^]:[v u^]" 0.0 | +init "" 0.0 | +init "[t^ v]{t^*}:[v']" 0.0 | +init "[t^(c) v]" 0.0 | +init "" 0.0 | +init "[t^(c) e]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ v]:[u^ i]" 0.0 | +init "[t^(c) e]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r u^]" 0.0 | +init "[i t^]:[r u^]" 0.0 | +init "" 0.0 | +init "[t^ r']{t^*}:[r]" 0.0 | +init "[t^ r']:[t^ r]" 0.0 | +init "" 0.0 | +init "[t^(c) r']{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) r']:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) r']:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e' u^]" 0.0 | +init "[i t^]:[e' u^]" 0.0 | +init "" 0.0 | +init "[t^ e']{t^*}:[e]" 0.0 | +init "[t^ e']:[t^ e]" 0.0 | +init "[t^(c) e']{u^*}:[x' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ x']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ x']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x' u^]" 0.0 | +init "[i t^]:[x' u^]" 0.0 | +init "" 0.0 | +init "[t^ x']{t^*}:[x]" 0.0 | +init "[t^ x']:[t^ x]" 0.0 | +init "" 0.0 | +init "[t^(c) x']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) x']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) x']:[u^ v']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v' u^]" 0.0 | +init "[i t^]:[v' u^]" 0.0 | +init "" 0.0 | +init "[t^ v']{t^*}:[v]" 0.0 | +init "[t^ v']:[t^ v]" 0.0 | +init "[t^(c) v']" 0.0 | +init "" 0.0 | +init "[t^ v]:[t^ v']" 0.0 | +init "[t^ x]:[t^ x']" 0.0 | +init "" 0.0 | +init "[t^(c) e']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ v']:[u^ i]" 0.0 | +init "[t^(c) e']" 0.0 | +init "" 0.0 | +init "[t^ e]:[t^ e']" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r' u^]" 0.0 | +init "[i t^]:[r' u^]" 0.0 | +init "[t^ r]:[t^ r']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^(c) y]{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) y]:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) y]:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y u^]" 0.0 | +init "[i t^]:[y u^]" 0.0 | +init "" 0.0 | +init "[t^(c) y']{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) y']:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) y']:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y' u^]" 0.0 | +init "[i t^]:[y' u^]" 0.0 | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"{t^*}[r t^]:[r']" + "" <->{kt}{kt} "[t^ r]{t^*}:[r']" + "" | +"[t^(c) r]:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) r]:[u^ e]:[u^ i]" + "" | +"[t^(c) r]{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) r]:[u^ e]{u^*}:[i]" + "" | +"[i]{t^*}:[e u^]" + "" ->{kt} "[i t^]:[e u^]" + "" | +"{t^(c)*}[e]" + "" ->{(kt * c)} "[t^(c) e]" + "" | +"[i]:[t^ e]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e u^]" + "" | +"{t^*}[e t^]:[e']" + "" <->{kt}{kt} "[t^ e]{t^*}:[e']" + "" | +"{t^(c)*}[e u^]:[x u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[x u^]:[i]" + "" | +"[t^(c) e]:[u^ x]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ x]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[x u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ x]{u^*}:[i]" + "" | +"[i]{t^*}:[x u^]" + "" ->{kt} "[i t^]:[x u^]" + "" | +"[i]:[t^ x]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x u^]" + "" | +"{t^*}[x t^]:[x']" + "" <->{kt}{kt} "[t^ x]{t^*}:[x']" + "" | +"{t^(c)*}[x u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x]{u^*}:[v u^]:[i]" + "" | +"[t^(c) x]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) x]:[u^ v]:[u^ i]" + "" | +"[t^(c) x]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) x]:[u^ v]{u^*}:[i]" + "" | +"[i]{t^*}:[v u^]" + "" ->{kt} "[i t^]:[v u^]" + "" | +"{t^(c)*}[v]" + "" ->{(kt * c)} "[t^(c) v]" + "" | +"[i]:[t^ v]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v u^]" + "" | +"{t^*}[v t^]:[v']" + "" <->{kt}{kt} "[t^ v]{t^*}:[v']" + "" | +"{t^(c)*}[e u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[v u^]:[i]" + "" | +"[t^(c) e]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ v]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ v]{u^*}:[i]" + "" | +"{t^(c)*}[r u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r]{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[r u^]" + "" ->{kt} "[i t^]:[r u^]" + "" | +"[i]:[t^ r]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r u^]" + "" | +"[t^ r]{t^*}:[r']" + "" ->{kt} "[t^ r]:[t^ r']" + "" | +"{t^*}[r' t^]:[r]" + "" <->{kt}{kt} "[t^ r']{t^*}:[r]" + "" | +"[t^ r']{t^*}:[r]" + "" ->{kt} "[t^ r']:[t^ r]" + "" | +"[t^(c) r']:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) r']:[u^ e']:[u^ i]" + "" | +"[t^(c) r']{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) r']:[u^ e']{u^*}:[i]" + "" | +"[i]{t^*}:[e' u^]" + "" ->{kt} "[i t^]:[e' u^]" + "" | +"{t^(c)*}[e']" + "" ->{(kt * c)} "[t^(c) e']" + "" | +"[t^ e]{t^*}:[e']" + "" ->{kt} "[t^ e]:[t^ e']" + "" | +"[i]:[t^ e']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e' u^]" + "" | +"{t^*}[e' t^]:[e]" + "" <->{kt}{kt} "[t^ e']{t^*}:[e]" + "" | +"[t^ e']{t^*}:[e]" + "" ->{kt} "[t^ e']:[t^ e]" + "" | +"{t^(c)*}[e' u^]:[x' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[x' u^]:[i]" + "" | +"[t^(c) e']:[u^ x']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ x']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[x' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ x']{u^*}:[i]" + "" | +"[i]{t^*}:[x' u^]" + "" ->{kt} "[i t^]:[x' u^]" + "" | +"[t^ x]{t^*}:[x']" + "" ->{kt} "[t^ x]:[t^ x']" + "" | +"[i]:[t^ x']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x' u^]" + "" | +"{t^*}[x' t^]:[x]" + "" <->{kt}{kt} "[t^ x']{t^*}:[x]" + "" | +"[t^ x']{t^*}:[x]" + "" ->{kt} "[t^ x']:[t^ x]" + "" | +"{t^(c)*}[x' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) x']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) x']:[u^ v']:[u^ i]" + "" | +"[t^(c) x']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) x']:[u^ v']{u^*}:[i]" + "" | +"[i]{t^*}:[v' u^]" + "" ->{kt} "[i t^]:[v' u^]" + "" | +"{t^(c)*}[v']" + "" ->{(kt * c)} "[t^(c) v']" + "" | +"[t^ v]{t^*}:[v']" + "" ->{kt} "[t^ v]:[t^ v']" + "" | +"[i]:[t^ v']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v' u^]" + "" | +"{t^*}[v' t^]:[v]" + "" <->{kt}{kt} "[t^ v']{t^*}:[v]" + "" | +"[t^ v']{t^*}:[v]" + "" ->{kt} "[t^ v']:[t^ v]" + "" | +"{t^(c)*}[e' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) e']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ v']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ v']{u^*}:[i]" + "" | +"{t^(c)*}[r' u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r']{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[r' u^]" + "" ->{kt} "[i t^]:[r' u^]" + "" | +"[i]:[t^ r']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r' u^]" + "" | +"[t^(c) y]:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) y]:[u^ e']:[u^ i]" + "" | +"[t^(c) y]{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) y]:[u^ e']{u^*}:[i]" + "" | +"{t^(c)*}[y u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y]{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[y u^]" + "" ->{kt} "[i t^]:[y u^]" + "" | +"[i]:[t^ y]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y u^]" + "" | +"[t^(c) y']:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) y']:[u^ e]:[u^ i]" + "" | +"[t^(c) y']{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) y']:[u^ e]{u^*}:[i]" + "" | +"{t^(c)*}[y' u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y']{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[y' u^]" + "" ->{kt} "[i t^]:[y' u^]" + "" | +"[i]:[t^ y']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y' u^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.dna new file mode 100644 index 0000000..10d8d7d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.dna @@ -0,0 +1,199 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) + +(*------------------ 2Domain DNA Strand Displacement ------------------*) + +directive compilation infinite +new t@kt,unbind +new u@ku,unbind +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' new i + +def Signal((x,x')) = +def Degradation(k,(x,x')) = Cmax/k * {t^(c)*}[x] +def Annihilation((x,x')) = +( Cmax * {t^*}[x t^]:[x'] +| Cmax * {t^*}[x' t^]:[x] +| Cmax * +| Cmax * +) +def Catalysis(k,(x,x'),(y,y')) = +( Cmax*k * {t^(c)*}[x u^]:[y u^]:[i] +| Cmax*k * [i]:[t^ x]{u^*} +| Cmax*k * [i]:[t^ y]{u^*} +| Cmax*k * +| Cmax*k * +| Cmax*k * +) +def Signal'((x,x')) = Signal((x',x)) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) + +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = ( Catalysis2(kI,x,y) ) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) + diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.crn new file mode 100644 index 0000000..0ded096 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.crn @@ -0,0 +1,176 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "{x1^*}[x2 x3^ x1'^]:[x2' x3'^]" Cmax | +init "" Cmax | +init "{x1'^*}[x2' x3'^ x1^]:[x2 x3^]" Cmax | +init "" Cmax | +init "{r1^*}[r2 r3^ r1'^]:[r2' r3'^]" Cmax | +init "" Cmax | +init "{r1'^*}[r2' r3'^ r1^]:[r2 r3^]" Cmax | +init "" Cmax | +init "{v1^*}[v2 v3^ v1'^]:[v2' v3'^]" Cmax | +init "" Cmax | +init "{v1'^*}[v2' v3'^ v1^]:[v2 v3^]" Cmax | +init "" Cmax | +init "{e1^*}[e2 e3^ e1'^]:[e2' e3'^]" Cmax | +init "" Cmax | +init "{e1'^*}[e2' e3'^ e1^]:[e2 e3^]" Cmax | +init "" Cmax | +init "{r1^(c)*}[r2 r3^]" Cmax | +init "{r3^*}[eh e1^]:[rh r1^]" Cmax | +init "{e1^(c)*}[e2 e3^]" Cmax | +init "{e3^*}[xh x1^]:[eh e1^]" Cmax | +init "{e1^(c)*}[e2 e3^]" Cmax | +init "{e3^*}[vh v1^]:[eh e1^]" Cmax | +init "{x1^(c)*}[x2 x3^]" Cmax | +init "{x3^*}[vh v1^]:[xh x1^]" Cmax | +init "{r1'^(c)*}[r2' r3'^]" Cmax | +init "{r3'^*}[eh' e1'^]:[rh' r1'^]" Cmax | +init "{e1'^(c)*}[e2' e3'^]" Cmax | +init "{e3'^*}[xh' x1'^]:[eh' e1'^]" Cmax | +init "{e1'^(c)*}[e2' e3'^]" Cmax | +init "{e3'^*}[vh' v1'^]:[eh' e1'^]" Cmax | +init "{x1'^(c)*}[x2' x3'^]" Cmax | +init "{x3'^*}[vh' v1'^]:[xh' x1'^]" Cmax | +init "{y1^(c)*}[y2 y3^]" Cmax | +init "{y3^*}[eh' e1'^]:[yh y1^]" Cmax | +init "{y1'^(c)*}[y2' y3'^]" Cmax | +init "{y3'^*}[eh e1^]:[yh' y1'^]" Cmax | +init "{e1^(c)*}[e2 e3^]" Cmax | +init "{v1^(c)*}[v2 v3^]" Cmax | +init "{e1'^(c)*}[e2' e3'^]" Cmax | +init "{v1'^(c)*}[v2' v3'^]" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "[r1^ r2 r3^]{r1'^*}:[r2' r3'^]" 0.0 | +init "[r1^(c) r2 r3^]" 0.0 | +init "" 0.0 | +init "[r3^ eh e1^ rh r1^]" 0.0 | +init "" 0.0 | +init "[e1^ e2 e3^]{e1'^*}:[e2' e3'^]" 0.0 | +init "[e1^(c) e2 e3^]" 0.0 | +init "" 0.0 | +init "[e3^ xh x1^ eh e1^]" 0.0 | +init "" 0.0 | +init "[x1^ x2 x3^]{x1'^*}:[x2' x3'^]" 0.0 | +init "[x1^(c) x2 x3^]" 0.0 | +init "" 0.0 | +init "[x3^ vh v1^ xh x1^]" 0.0 | +init "" 0.0 | +init "[v1^ v2 v3^]{v1'^*}:[v2' v3'^]" 0.0 | +init "[v1^(c) v2 v3^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[e3^ vh v1^ eh e1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[r1'^ r2' r3'^]{r1^*}:[r2 r3^]" 0.0 | +init "[r1'^ r2' r3'^]:[r1^ r2 r3^]" 0.0 | +init "" 0.0 | +init "[r1'^(c) r2' r3'^]" 0.0 | +init "" 0.0 | +init "[r3'^ eh' e1'^ rh' r1'^]" 0.0 | +init "" 0.0 | +init "[e1'^ e2' e3'^]{e1^*}:[e2 e3^]" 0.0 | +init "[e1'^ e2' e3'^]:[e1^ e2 e3^]" 0.0 | +init "[e1'^(c) e2' e3'^]" 0.0 | +init "" 0.0 | +init "[e3'^ xh' x1'^ eh' e1'^]" 0.0 | +init "" 0.0 | +init "[x1'^ x2' x3'^]{x1^*}:[x2 x3^]" 0.0 | +init "[x1'^ x2' x3'^]:[x1^ x2 x3^]" 0.0 | +init "" 0.0 | +init "[x1'^(c) x2' x3'^]" 0.0 | +init "" 0.0 | +init "[x3'^ vh' v1'^ xh' x1'^]" 0.0 | +init "" 0.0 | +init "[v1'^ v2' v3'^]{v1^*}:[v2 v3^]" 0.0 | +init "[v1'^ v2' v3'^]:[v1^ v2 v3^]" 0.0 | +init "[v1'^(c) v2' v3'^]" 0.0 | +init "" 0.0 | +init "[v1^ v2 v3^]:[v1'^ v2' v3'^]" 0.0 | +init "[x1^ x2 x3^]:[x1'^ x2' x3'^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[e3'^ vh' v1'^ eh' e1'^]" 0.0 | +init "" 0.0 | +init "[e1^ e2 e3^]:[e1'^ e2' e3'^]" 0.0 | +init "[r1^ r2 r3^]:[r1'^ r2' r3'^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[y1^(c) y2 y3^]" 0.0 | +init "" 0.0 | +init "[y3^ eh' e1'^ yh y1^]" 0.0 | +init "" 0.0 | +init "[y1'^(c) y2' y3'^]" 0.0 | +init "" 0.0 | +init "[y3'^ eh e1^ yh' y1'^]" 0.0 | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"{r1^(c)*}[r2 r3^]" + "" ->{(kt * c)} "[r1^(c) r2 r3^]" + "" | +"{r1^*}[r2 r3^ r1'^]:[r2' r3'^]" + "" <->{kt}{kt} "[r1^ r2 r3^]{r1'^*}:[r2' r3'^]" + "" | +"{r3^*}[eh e1^]:[rh r1^]" + "" ->{kt} "[r3^ eh e1^ rh r1^]" + "" + "" | +"{e1^(c)*}[e2 e3^]" + "" ->{(kt * c)} "[e1^(c) e2 e3^]" + "" | +"{e1^(c)*}[e2 e3^]" + "" ->{(kt * c)} "[e1^(c) e2 e3^]" + "" | +"{e1^(c)*}[e2 e3^]" + "" ->{(kt * c)} "[e1^(c) e2 e3^]" + "" | +"{e1^*}[e2 e3^ e1'^]:[e2' e3'^]" + "" <->{kt}{kt} "[e1^ e2 e3^]{e1'^*}:[e2' e3'^]" + "" | +"{e3^*}[xh x1^]:[eh e1^]" + "" ->{kt} "[e3^ xh x1^ eh e1^]" + "" + "" | +"{x1^(c)*}[x2 x3^]" + "" ->{(kt * c)} "[x1^(c) x2 x3^]" + "" | +"{x1^*}[x2 x3^ x1'^]:[x2' x3'^]" + "" <->{kt}{kt} "[x1^ x2 x3^]{x1'^*}:[x2' x3'^]" + "" | +"{x3^*}[vh v1^]:[xh x1^]" + "" ->{kt} "[x3^ vh v1^ xh x1^]" + "" + "" | +"{v1^(c)*}[v2 v3^]" + "" ->{(kt * c)} "[v1^(c) v2 v3^]" + "" | +"{v1^*}[v2 v3^ v1'^]:[v2' v3'^]" + "" <->{kt}{kt} "[v1^ v2 v3^]{v1'^*}:[v2' v3'^]" + "" | +"{e3^*}[vh v1^]:[eh e1^]" + "" ->{kt} "[e3^ vh v1^ eh e1^]" + "" + "" | +"{r1'^(c)*}[r2' r3'^]" + "" ->{(kt * c)} "[r1'^(c) r2' r3'^]" + "" | +"[r1^ r2 r3^]{r1'^*}:[r2' r3'^]" + "" ->{kt} "[r1^ r2 r3^]:[r1'^ r2' r3'^]" + "" | +"{r1'^*}[r2' r3'^ r1^]:[r2 r3^]" + "" <->{kt}{kt} "[r1'^ r2' r3'^]{r1^*}:[r2 r3^]" + "" | +"[r1'^ r2' r3'^]{r1^*}:[r2 r3^]" + "" ->{kt} "[r1'^ r2' r3'^]:[r1^ r2 r3^]" + "" | +"{r3'^*}[eh' e1'^]:[rh' r1'^]" + "" ->{kt} "[r3'^ eh' e1'^ rh' r1'^]" + "" + "" | +"{e1'^(c)*}[e2' e3'^]" + "" ->{(kt * c)} "[e1'^(c) e2' e3'^]" + "" | +"{e1'^(c)*}[e2' e3'^]" + "" ->{(kt * c)} "[e1'^(c) e2' e3'^]" + "" | +"{e1'^(c)*}[e2' e3'^]" + "" ->{(kt * c)} "[e1'^(c) e2' e3'^]" + "" | +"[e1^ e2 e3^]{e1'^*}:[e2' e3'^]" + "" ->{kt} "[e1^ e2 e3^]:[e1'^ e2' e3'^]" + "" | +"{e1'^*}[e2' e3'^ e1^]:[e2 e3^]" + "" <->{kt}{kt} "[e1'^ e2' e3'^]{e1^*}:[e2 e3^]" + "" | +"[e1'^ e2' e3'^]{e1^*}:[e2 e3^]" + "" ->{kt} "[e1'^ e2' e3'^]:[e1^ e2 e3^]" + "" | +"{e3'^*}[xh' x1'^]:[eh' e1'^]" + "" ->{kt} "[e3'^ xh' x1'^ eh' e1'^]" + "" + "" | +"{x1'^(c)*}[x2' x3'^]" + "" ->{(kt * c)} "[x1'^(c) x2' x3'^]" + "" | +"[x1^ x2 x3^]{x1'^*}:[x2' x3'^]" + "" ->{kt} "[x1^ x2 x3^]:[x1'^ x2' x3'^]" + "" | +"{x1'^*}[x2' x3'^ x1^]:[x2 x3^]" + "" <->{kt}{kt} "[x1'^ x2' x3'^]{x1^*}:[x2 x3^]" + "" | +"[x1'^ x2' x3'^]{x1^*}:[x2 x3^]" + "" ->{kt} "[x1'^ x2' x3'^]:[x1^ x2 x3^]" + "" | +"{x3'^*}[vh' v1'^]:[xh' x1'^]" + "" ->{kt} "[x3'^ vh' v1'^ xh' x1'^]" + "" + "" | +"{v1'^(c)*}[v2' v3'^]" + "" ->{(kt * c)} "[v1'^(c) v2' v3'^]" + "" | +"[v1^ v2 v3^]{v1'^*}:[v2' v3'^]" + "" ->{kt} "[v1^ v2 v3^]:[v1'^ v2' v3'^]" + "" | +"{v1'^*}[v2' v3'^ v1^]:[v2 v3^]" + "" <->{kt}{kt} "[v1'^ v2' v3'^]{v1^*}:[v2 v3^]" + "" | +"[v1'^ v2' v3'^]{v1^*}:[v2 v3^]" + "" ->{kt} "[v1'^ v2' v3'^]:[v1^ v2 v3^]" + "" | +"{e3'^*}[vh' v1'^]:[eh' e1'^]" + "" ->{kt} "[e3'^ vh' v1'^ eh' e1'^]" + "" + "" | +"{y1^(c)*}[y2 y3^]" + "" ->{(kt * c)} "[y1^(c) y2 y3^]" + "" | +"{y3^*}[eh' e1'^]:[yh y1^]" + "" ->{kt} "[y3^ eh' e1'^ yh y1^]" + "" + "" | +"{y1'^(c)*}[y2' y3'^]" + "" ->{(kt * c)} "[y1'^(c) y2' y3'^]" + "" | +"{y3'^*}[eh e1^]:[yh' y1'^]" + "" ->{kt} "[y3'^ eh e1^ yh' y1'^]" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.dna new file mode 100644 index 0000000..0fd1d85 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - 4Domain.dna @@ -0,0 +1,211 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ 4Domain DNA Strand Displacement ------------------*) +(*directive toeholds 0.001 0.1126*) +directive compilation infinite + +dom x1 = {colour = "red"; bind = kt} dom x1' = {colour = "red"; bind = kt} +dom x3 = {colour = "red"; bind = kt} dom x3' = {colour = "red"; bind = kt} +dom r1 = {colour = "purple"; bind = kt} dom r1' = {colour = "purple"; bind = kt} +dom r3 = {colour = "purple"; bind = kt} dom r3' = {colour = "purple"; bind = kt} +dom e1 = {colour = "blue"; bind = kt} dom e1' = {colour = "blue"; bind = kt} +dom e3 = {colour = "blue"; bind = kt} dom e3' = {colour = "blue"; bind = kt} +dom v1 = {colour = "orange"; bind = kt} dom v1' = {colour = "orange"; bind = kt} +dom v3 = {colour = "orange"; bind = kt} dom v3' = {colour = "orange"; bind = kt} +dom y1 = {colour = "green"; bind = kt} dom y1' = {colour = "green"; bind = kt} +dom y3 = {colour = "green"; bind = kt} dom y3' = {colour = "green"; bind = kt} +dom load = {colour = "black"; bind = kt} dom load' = {colour = "black"; bind = kt} +dom load = {colour = "black"; bind = kt} dom load' = {colour = "black"; bind = kt} +dom t = {colour = "magenta"; bind = kt; unbind = unbind} + +new xh new x2 new xh' new x2' new vh new v2 new vh' new v2' new yh new y2 new yh' new y2' +new rh new r2 new rh' new r2' new eh new e2 new eh' new e2' + +def Signal0((xh,x1,x2,x3),x') = +def Degradation0(k,(xh,x1,x2,x3),x') = Cmax/k * {x1^(c)*}[x2 x3^] +def Annihilation0((xh,x1,x2,x3),(xh',x1',x2',x3')) = +( Cmax * {x1^*}[x2 x3^ x1'^]:[x2' x3'^] +| Cmax * +| Cmax * {x1'^*}[x2' x3'^ x1^]:[x2 x3^] +| Cmax * +) +def Catalysis0(k,(xh,x1,x2,x3),x',(yh,y1,y2,y3),y') = +( Cmax*k * {x1^(c)*}[x2 x3^] +| Cmax*k * {x3^*}[yh y1^]:[xh x1^] +) +def Signal((x,x')) = Signal0(x,x') +def Degradation(k,(x,x')) = Degradation0(k,x,x') +def Catalysis(k,(x,x'),(y,y')) = Catalysis0(k,x,x',y,y') +def Annihilation((x,x')) = Annihilation0(x,x') + +def Signal'((x,x')) = Signal((x',x)) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) + +def x = ((xh,x1,x2,x3),(xh',x1',x2',x3')) +def y = ((yh,y1,y2,y3),(yh',y1',y2',y3')) +def v = ((vh,v1,v2,v3),(vh',v1',v2',v3')) +def e = ((eh,e1,e2,e3),(eh',e1',e2',e3')) +def r = ((rh,r1,r2,r3),(rh',r1',r2',r3')) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.crn new file mode 100644 index 0000000..fbc59b9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.crn @@ -0,0 +1,60 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{deg} | +"" ->{deg} | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{deg} | +"" ->{deg} | +"" + "" ->{ann} | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} | +"" + "" ->{ann} | +"" + "" ->{ann} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.dna new file mode 100644 index 0000000..bbcb6fd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - CRN.dna @@ -0,0 +1,204 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ CRN ------------------*) + +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' +def Signal((x,x')) = +def Signal'((x,x')) = Signal((x',x)) +def Degradation(k,x) = (rxn Signal(x) ->{deg/k}) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis(k,x,y) = rxn Signal(x) ->{cat*k} Signal(x) + Signal(y) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) +def Annihilation(x) = (rxn Signal(x) + Signal'(x) ->{ann}) +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') + +(*--------- CRN [Catalytic Degradation] ----------*) +(* +directive sweep s1 = {ann = [0.1,0.01,0.001,0.0001]} +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' +def Signal((x,x')) = +def Signal'((x,x')) = Signal((x',x)) +def DegradationIdeal(k,x) = rxn Signal(x) ->{deg/k} +def Degradation(k,x) = + ( rxn Signal(x) ->{deg/k} Signal(x) + Signal'(x) + | rxn Signal(x) + Signal'(x) ->{ann}) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis(k,x,y) = rxn Signal(x) ->{cat*k} Signal(x) + Signal(y) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) +def Annihilation(x) = rxn Signal(x) + Signal'(x) ->{ann} +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') +*) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.crn new file mode 100644 index 0000000..3720fac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.crn @@ -0,0 +1,178 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "[x1^ x2^]" 0.0 | +init "[r1^ r2^]" 0.0 | +init "[v1^ v2^]" 0.0 | +init "[e1^ e2^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "[r2^]:[e1^ e2^]" 0.0 | +init "{r2^*}[e1^ e2^]" Cmax | +init "[e2^]:[x1^ x2^]" 0.0 | +init "{e2^*}[x1^ x2^]" Cmax | +init "" 0.0 | +init "[e2^]:[v1^ v2^]" 0.0 | +init "{e2^*}[v1^ v2^]" Cmax | +init "[x2^]:[v1^ v2^]" 0.0 | +init "{x2^*}[v1^ v2^]" Cmax | +init "" 0.0 | +init "[r2^ e1^ e2^]" 0.0 | +init "[r1^ r2^]::{r2^*}[e1^ e2^]" 0.0 | +init "[e2^ x1^ x2^]" 0.0 | +init "[e2^ v1^ v2^]" 0.0 | +init "[x2^ v1^ v2^]" 0.0 | +init "[y2^ e2^* e1^*]" 0.0 | +init "[e2^ e2^* e1^*]" 0.0 | +init "[v2^ v2^* v1^*]" 0.0 | +init "[y2^]:[e2^* e1^*]" 0.0 | +init "{y2^*}[e2^* e1^*]" Cmax | +init "" 0.0 | +init "[e2^]:[e2^* e1^*]" 0.0 | +init "{e2^*}[e2^* e1^*]" Cmax | +init "[v2^]:[v2^* v1^*]" 0.0 | +init "{v2^*}[v2^* v1^*]" Cmax | +init "" 0.0 | +init "{r1^}[e2^* e1^*]" Cmax | +init "[r1^*]:[e2^* e1^*]" 0.0 | +init "{e1^}[x2^* x1^*]" Cmax | +init "{e1^}[v2^* v1^*]" Cmax | +init "{x1^}[v2^* v1^*]" Cmax | +init "{y1^}[e1^ e2^]" Cmax | +init "{e1^}[e1^ e2^]" Cmax | +init "{v1^}[v1^ v2^]" Cmax | +init "" 0.0 | +init "[v1^ v2^]::{v2^*}[v2^* v1^*]" 0.0 | +init "[v1^*]:[v1^ v2^]" 0.0 | +init "" 0.0 | +init "[y1^ y2^]::{y2^*}[e2^* e1^*]" 0.0 | +init "[y2^* y1^*]" 0.0 | +init "[y1^*]:[e1^ e2^]" 0.0 | +init "[v1^* v1^ v2^]" 0.0 | +init "[v2^* v1^*]::{v1^}[v1^ v2^]" 0.0 | +init "[x1^* v2^* v1^*]" 0.0 | +init "[x2^* x1^*]::{x1^}[v2^* v1^*]" 0.0 | +init "[x1^*]:[v2^* v1^*]" 0.0 | +init "" 0.0 | +init "[x1^ x2^]::{x2^*}[v1^ v2^]" 0.0 | +init "[e1^* v2^* v1^*]" 0.0 | +init "[e2^* e1^*]::{e1^}[v2^* v1^*]" 0.0 | +init "[e1^*]:[v2^* v1^*]" 0.0 | +init "" 0.0 | +init "[e1^ e2^]::{e2^*}[x1^ x2^]" 0.0 | +init "[e1^ e2^]::{e2^*}[v1^ v2^]" 0.0 | +init "[e1^ e2^]::{e2^*}[e2^* e1^*]" 0.0 | +init "[e1^*]:[x2^* x1^*]" 0.0 | +init "[e1^*]:[e1^ e2^]" 0.0 | +init "[e1^* x2^* x1^*]" 0.0 | +init "[e2^* e1^*]::{e1^}[x2^* x1^*]" 0.0 | +init "[e1^* e1^ e2^]" 0.0 | +init "[e2^* e1^*]::{e1^}[e1^ e2^]" 0.0 | +init "[y1^* e1^ e2^]" 0.0 | +init "[y2^* y1^*]::{y1^}[e1^ e2^]" 0.0 | +init "[r1^* e2^* e1^*]" 0.0 | +init "[r2^* r1^*]::{r1^}[e2^* e1^*]" 0.0 | +"[r2^]:[e1^ e2^]" ->{pol} "[r2^ e1^ e2^]" + "" | +"[r2^ e1^ e2^]" ->{nick} "[r2^]:[e1^ e2^]" | +"[r1^*]:[e2^* e1^*]" ->{pol} "[r1^* e2^* e1^*]" + "" | +"[r1^* e2^* e1^*]" ->{nick} "[r1^*]:[e2^* e1^*]" | +"[y2^]:[e2^* e1^*]" ->{pol} "[y2^ e2^* e1^*]" + "" | +"[y2^ e2^* e1^*]" ->{nick} "[y2^]:[e2^* e1^*]" | +"[y1^*]:[e1^ e2^]" ->{pol} "[y1^* e1^ e2^]" + "" | +"[y1^* e1^ e2^]" ->{nick} "[y1^*]:[e1^ e2^]" | +"[e2^]:[e2^* e1^*]" ->{pol} "[e2^ e2^* e1^*]" + "" | +"[e2^ e2^* e1^*]" ->{nick} "[e2^]:[e2^* e1^*]" | +"[e1^*]:[e1^ e2^]" ->{pol} "[e1^* e1^ e2^]" + "" | +"[e1^* e1^ e2^]" ->{nick} "[e1^*]:[e1^ e2^]" | +"[e2^]:[x1^ x2^]" ->{pol} "[e2^ x1^ x2^]" + "" | +"[e2^ x1^ x2^]" ->{nick} "[e2^]:[x1^ x2^]" | +"[e1^*]:[x2^* x1^*]" ->{pol} "[e1^* x2^* x1^*]" + "" | +"[e1^* x2^* x1^*]" ->{nick} "[e1^*]:[x2^* x1^*]" | +"[e2^]:[v1^ v2^]" ->{pol} "[e2^ v1^ v2^]" + "" | +"[e2^ v1^ v2^]" ->{nick} "[e2^]:[v1^ v2^]" | +"[e1^*]:[v2^* v1^*]" ->{pol} "[e1^* v2^* v1^*]" + "" | +"[e1^* v2^* v1^*]" ->{nick} "[e1^*]:[v2^* v1^*]" | +"[x2^]:[v1^ v2^]" ->{pol} "[x2^ v1^ v2^]" + "" | +"[x2^ v1^ v2^]" ->{nick} "[x2^]:[v1^ v2^]" | +"[x1^*]:[v2^* v1^*]" ->{pol} "[x1^* v2^* v1^*]" + "" | +"[x1^* v2^* v1^*]" ->{nick} "[x1^*]:[v2^* v1^*]" | +"[v2^]:[v2^* v1^*]" ->{pol} "[v2^ v2^* v1^*]" + "" | +"[v2^ v2^* v1^*]" ->{nick} "[v2^]:[v2^* v1^*]" | +"[v1^*]:[v1^ v2^]" ->{pol} "[v1^* v1^ v2^]" + "" | +"[v1^* v1^ v2^]" ->{nick} "[v1^*]:[v1^ v2^]" | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} "[r1^ r2^]" | +"[r2^]:[e1^ e2^]" + "" ->{bind} "[r1^ r2^]" + "{r2^*}[e1^ e2^]" | +"[r2^]:[e1^ e2^]" <->{unbind}{bind} "{r2^*}[e1^ e2^]" + "" | +"[e2^]:[x1^ x2^]" <->{unbind}{bind} "{e2^*}[x1^ x2^]" + "" | +"[e2^]:[v1^ v2^]" <->{unbind}{bind} "{e2^*}[v1^ v2^]" + "" | +"[x2^]:[v1^ v2^]" <->{unbind}{bind} "{x2^*}[v1^ v2^]" + "" | +"[r2^ e1^ e2^]" + "" <->{bind}{unbind} "[r1^ r2^]::{r2^*}[e1^ e2^]" | +"[y2^]:[e2^* e1^*]" <->{unbind}{bind} "{y2^*}[e2^* e1^*]" + "" | +"[e2^]:[e2^* e1^*]" <->{unbind}{bind} "{e2^*}[e2^* e1^*]" + "" | +"[v2^]:[v2^* v1^*]" <->{unbind}{bind} "{v2^*}[v2^* v1^*]" + "" | +"{r1^}[e2^* e1^*]" + "" <->{bind}{unbind} "[r1^*]:[e2^* e1^*]" | +"[r1^*]:[e2^* e1^*]" + "" ->{bind} "[r1^ r2^]" + "{r1^}[e2^* e1^*]" | +"[v2^]:[v2^* v1^*]" + "" ->{bind} "[v1^ v2^]" + "{v2^*}[v2^* v1^*]" | +"" + "" ->{ann} "[v1^ v2^]" | +"[v2^ v2^* v1^*]" + "" <->{bind}{unbind} "[v1^ v2^]::{v2^*}[v2^* v1^*]" | +"{v1^}[v1^ v2^]" + "" <->{bind}{unbind} "[v1^*]:[v1^ v2^]" | +"[v1^*]:[v1^ v2^]" + "" ->{bind} "[v1^ v2^]" + "{v1^}[v1^ v2^]" | +"[y2^]:[e2^* e1^*]" + "" ->{bind} "[y2^* y1^*]" + "{y2^*}[e2^* e1^*]" | +"" + "" ->{ann} "[y2^* y1^*]" | +"[y2^ e2^* e1^*]" + "" <->{bind}{unbind} "[y1^ y2^]::{y2^*}[e2^* e1^*]" | +"{y1^}[e1^ e2^]" + "" <->{bind}{unbind} "[y1^*]:[e1^ e2^]" | +"[y1^*]:[e1^ e2^]" + "" ->{bind} "[y2^* y1^*]" + "{y1^}[e1^ e2^]" | +"[v1^* v1^ v2^]" + "" <->{bind}{unbind} "[v2^* v1^*]::{v1^}[v1^ v2^]" | +"[x1^* v2^* v1^*]" + "" <->{bind}{unbind} "[x2^* x1^*]::{x1^}[v2^* v1^*]" | +"[x1^*]:[v2^* v1^*]" + "" ->{bind} "[x1^ x2^]" + "{x1^}[v2^* v1^*]" | +"[x2^]:[v1^ v2^]" + "" ->{bind} "[x1^ x2^]" + "{x2^*}[v1^ v2^]" | +"[x1^*]:[v2^* v1^*]" <->{unbind}{bind} "{x1^}[v2^* v1^*]" + "" | +"" + "" ->{ann} "[x1^ x2^]" | +"[x2^ v1^ v2^]" + "" <->{bind}{unbind} "[x1^ x2^]::{x2^*}[v1^ v2^]" | +"[e1^* v2^* v1^*]" + "" <->{bind}{unbind} "[e2^* e1^*]::{e1^}[v2^* v1^*]" | +"[e1^*]:[v2^* v1^*]" + "" ->{bind} "[e1^ e2^]" + "{e1^}[v2^* v1^*]" | +"[e2^]:[x1^ x2^]" + "" ->{bind} "[e1^ e2^]" + "{e2^*}[x1^ x2^]" | +"[e2^]:[v1^ v2^]" + "" ->{bind} "[e1^ e2^]" + "{e2^*}[v1^ v2^]" | +"[e2^]:[e2^* e1^*]" + "" ->{bind} "[e1^ e2^]" + "{e2^*}[e2^* e1^*]" | +"[e1^*]:[v2^* v1^*]" <->{unbind}{bind} "{e1^}[v2^* v1^*]" + "" | +"" + "" ->{ann} "[e1^ e2^]" | +"[e2^ x1^ x2^]" + "" <->{bind}{unbind} "[e1^ e2^]::{e2^*}[x1^ x2^]" | +"[e2^ v1^ v2^]" + "" <->{bind}{unbind} "[e1^ e2^]::{e2^*}[v1^ v2^]" | +"[e2^ e2^* e1^*]" + "" <->{bind}{unbind} "[e1^ e2^]::{e2^*}[e2^* e1^*]" | +"{e1^}[x2^* x1^*]" + "" <->{bind}{unbind} "[e1^*]:[x2^* x1^*]" | +"[e1^*]:[x2^* x1^*]" + "" ->{bind} "[e1^ e2^]" + "{e1^}[x2^* x1^*]" | +"{e1^}[e1^ e2^]" + "" <->{bind}{unbind} "[e1^*]:[e1^ e2^]" | +"[e1^*]:[e1^ e2^]" + "" ->{bind} "[e1^ e2^]" + "{e1^}[e1^ e2^]" | +"[e1^* x2^* x1^*]" + "" <->{bind}{unbind} "[e2^* e1^*]::{e1^}[x2^* x1^*]" | +"[e1^* e1^ e2^]" + "" <->{bind}{unbind} "[e2^* e1^*]::{e1^}[e1^ e2^]" | +"[y1^* e1^ e2^]" + "" <->{bind}{unbind} "[y2^* y1^*]::{y1^}[e1^ e2^]" | +"[r1^* e2^* e1^*]" + "" <->{bind}{unbind} "[r2^* r1^*]::{r1^}[e2^* e1^*]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.dna new file mode 100644 index 0000000..4864a54 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - DNA Enzymes.dna @@ -0,0 +1,232 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ DNA Enzymes ------------------*) + +directive compilation default +directive unproductive + +dom x1 = {colour = "red"; bind = bind; unbind = unbind} +dom x2 = {colour = "red"; bind = bind; unbind = unbind} +dom r1 = {colour = "purple"; bind = bind; unbind = unbind} +dom r2 = {colour = "purple"; bind = bind; unbind = unbind} +dom e1 = {colour = "blue"; bind = bind; unbind = unbind} +dom e2 = {colour = "blue"; bind = bind; unbind = unbind} +dom v1 = {colour = "orange"; bind = bind; unbind = unbind} +dom v2 = {colour = "orange"; bind = bind; unbind = unbind} +dom y1 = {colour = "green"; bind = bind; unbind = unbind} +dom y2 = {colour = "green"; bind = bind; unbind = unbind} +dom load = {colour = "black"} +dom load' = {colour = "black"} +dom dx = {bind = ann; subdomains = [x1;x2]} +dom dr = {bind = ann; subdomains = [r1;r2]} +dom de = {bind = ann; subdomains = [e1;e2]} +dom dv = {bind = ann; subdomains = [v1;v2]} +dom dy = {bind = ann; subdomains = [y1;y2]} + +def Signal((x1,x2)) = +def Signal'((x1,x2)) = +def Template((x1,x2),(y1,y2)) = [x2^]:[y1^ y2^] +def Template'((x1,x2),(y1,y2)) = [x1^*]:[y2^* y1^*] +def TemplateOff((x1,x2),(y1,y2)) = {x2^*}[y1^ y2^] +def TemplateOff'((x1,x2),(y1,y2)) = {x1^}[y2^* y1^*] +def TemplateDS((x1,x2),(y1,y2)) = [x2^ y1^ y2^] +def TemplateDS'((x1,x2),(y1,y2)) = [x1^* y2^* y1^*] +def TemplateOffInv((x1,x2),(y1,y2)) = {x2^*}[y2^* y1^*] +def TemplateOffInv'((x1,x2),(y1,y2)) = {x1^}[y1^ y2^] +def TemplateInv((x1,x2),(y1,y2)) = [x2^]:[y2^* y1^*] +def TemplateInv'((x1,x2),(y1,y2)) = [x1^*]:[y1^ y2^] +def TemplateDSInv((x1,x2),(y1,y2)) = [x2^ y2^* y1^*] +def TemplateDSInv'((x1,x2),(y1,y2)) = [x1^* y1^ y2^] +def Ann((x1,x2)) = [x1^ x2^] + +def r = (r1,r2) +def e = (e1,e2) +def v = (v1,v2) +def y = (y1,y2) +def x = (x1,x2) + +def Catalysis(k,x,y) = +( Cmax*k * TemplateOff(x,y) +| rxn Template(x,y) ->{pol} TemplateDS(x,y) + Signal(y) +| rxn TemplateDS(x,y) ->{nick} Template(x,y) +| 0 * Template(x,y) | 0 * TemplateDS(x,y) +) +def Catalysis'(k,x,y) = +( Cmax*k * TemplateOff'(x,y) +| rxn Template'(x,y) ->{pol} TemplateDS'(x,y) + Signal'(y) +| rxn TemplateDS'(x,y) ->{nick} Template'(x,y) +) +def CatalysisInv(k,x,y) = +( Cmax*k * TemplateOffInv(x,y) +| rxn TemplateInv(x,y) ->{pol} TemplateDSInv(x,y) + Signal'(y) +| rxn TemplateDSInv(x,y) ->{nick} TemplateInv(x,y) +| 0 * TemplateInv(x,y) | 0 * TemplateDSInv(x,y) +) +def CatalysisInv'(k,x,y) = +( Cmax*k * TemplateOffInv'(x,y) +| rxn TemplateInv'(x,y) ->{pol} TemplateDSInv'(x,y) + Signal(y) +| rxn TemplateDSInv'(x,y) ->{nick} TemplateInv'(x,y) +) +def Annihilation(x) = 0*Ann(x) +def Degradation(k,x) = CatalysisInv(1.0/k,x,x) +def Degradation'(k,x) = CatalysisInv'(1.0/k,x,x) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.crn new file mode 100644 index 0000000..d74759b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.crn @@ -0,0 +1,136 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "{xh}[x1^ x2^]{xs'}" 0.0 | +init "{rh}[r1^ r2^]{rs'}" 0.0 | +init "{vh}[v1^ v2^]{vs'}" 0.0 | +init "{eh}[e1^ e2^]{es'}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "" Cmax | +init "" Cmax | +init "" (2.0 * Cmax) | +init "" Cmax | +init "" Cmax | +init "" Cmax | +init "" (2.0 * Cmax) | +init "" Cmax | +init "[rs* t^*]::[prom es e1^ e2^ eh]" 0.0 | +init "[u^* rs*]::[prom es e1^ e2^ eh]" Cmax | +init "[es* t^*]::[prom xs x1^ x2^ xh]" 0.0 | +init "[u^* es*]::[prom xs x1^ x2^ xh]" Cmax | +init "[es* t^*]::[prom vs v1^ v2^ vh]" 0.0 | +init "[u^* es*]::[prom vs v1^ v2^ vh]" Cmax | +init "[xs* t^*]::[prom vs v1^ v2^ vh]" 0.0 | +init "[u^* xs*]::[prom vs v1^ v2^ vh]" Cmax | +init "[u^* rs'*]::[prom es' e2^* e1^* eh]" Cmax | +init "[u^* es'*]::[prom xs' x2^* x1^* xh]" Cmax | +init "[u^* es'*]::[prom vs' v2^* v1^* vh]" Cmax | +init "[u^* xs'*]::[prom vs' v2^* v1^* vh]" Cmax | +init "[u^* ys*]::[prom es' e2^* e1^* eh]" Cmax | +init "[u^* ys'*]::[prom es e1^ e2^ eh]" Cmax | +init "[t^ rs]{r1^*}" Cmax | +init "{t^*}[rs r1^]" Cmax | +init "[t^ ys]{y1^*}" Cmax | +init "[t^ es]{e1^*}" (2.0 * Cmax) | +init "[t^ xs]{x1^*}" Cmax | +init "[t^ rs']{r2^}" Cmax | +init "{t^*}[rs' r2^*]" Cmax | +init "{rs' t^}" 0.0 | +init "[rs'* t^*]::[prom es' e2^* e1^* eh]" 0.0 | +init "[t^ ys']{y2^}" Cmax | +init "[t^ es']{e2^}" (2.0 * Cmax) | +init "[t^ xs']{x2^}" Cmax | +init "{t^*}[ys y1^]" Cmax | +init "{t^*}[es e1^]" (2.0 * Cmax) | +init "" 0.0 | +init "{t^*}[xs x1^]" Cmax | +init "" 0.0 | +init "{t^*}[ys' y2^*]" Cmax | +init "{t^*}[es' e2^*]" (2.0 * Cmax) | +init "{t^*}[xs' x2^*]" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{ys t^}" 0.0 | +init "[ys* t^*]::[prom es' e2^* e1^* eh]" 0.0 | +init "" 0.0 | +init "{ys' t^}" 0.0 | +init "[ys'* t^*]::[prom es e1^ e2^ eh]" 0.0 | +init "{yh}[y2^* y1^*]{ys}" 0.0 | +init "[xs'* t^*]::[prom vs' v2^* v1^* vh]" 0.0 | +init "{xs' t^}" 0.0 | +init "" 0.0 | +init "[es'* t^*]::[prom vs' v2^* v1^* vh]" 0.0 | +init "{es' t^}" 0.0 | +init "[es'* t^*]::[prom xs' x2^* x1^* xh]" 0.0 | +init "" 0.0 | +"[rs* t^*]::[prom es e1^ e2^ eh]" ->{pol} "[rs* t^*]::[prom es e1^ e2^ eh]" + "" | +"[rs'* t^*]::[prom es' e2^* e1^* eh]" ->{pol} "[rs'* t^*]::[prom es' e2^* e1^* eh]" + "" | +"[ys* t^*]::[prom es' e2^* e1^* eh]" ->{pol} "[ys* t^*]::[prom es' e2^* e1^* eh]" + "" | +"[ys'* t^*]::[prom es e1^ e2^ eh]" ->{pol} "[ys'* t^*]::[prom es e1^ e2^ eh]" + "" | +"" ->{deg} | +"" ->{deg} | +"[es* t^*]::[prom xs x1^ x2^ xh]" ->{pol} "[es* t^*]::[prom xs x1^ x2^ xh]" + "" | +"[es'* t^*]::[prom xs' x2^* x1^* xh]" ->{pol} "[es'* t^*]::[prom xs' x2^* x1^* xh]" + "" | +"[es* t^*]::[prom vs v1^ v2^ vh]" ->{pol} "[es* t^*]::[prom vs v1^ v2^ vh]" + "" | +"[es'* t^*]::[prom vs' v2^* v1^* vh]" ->{pol} "[es'* t^*]::[prom vs' v2^* v1^* vh]" + "" | +"[xs* t^*]::[prom vs v1^ v2^ vh]" ->{pol} "[xs* t^*]::[prom vs v1^ v2^ vh]" + "" | +"[xs'* t^*]::[prom vs' v2^* v1^* vh]" ->{pol} "[xs'* t^*]::[prom vs' v2^* v1^* vh]" + "" | +"" ->{deg} | +"" ->{deg} | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} "{rh}[r1^ r2^]{rs'}" | +"[rs* t^*]::[prom es e1^ e2^ eh]" + "" <->{bind2}{bind2} "[u^* rs*]::[prom es e1^ e2^ eh]" + "" | +"[es* t^*]::[prom xs x1^ x2^ xh]" + "" <->{bind2}{bind2} "[u^* es*]::[prom xs x1^ x2^ xh]" + "" | +"[es* t^*]::[prom vs v1^ v2^ vh]" + "" <->{bind2}{bind2} "[u^* es*]::[prom vs v1^ v2^ vh]" + "" | +"[xs* t^*]::[prom vs v1^ v2^ vh]" + "" <->{bind2}{bind2} "[u^* xs*]::[prom vs v1^ v2^ vh]" + "" | +"[t^ rs]{r1^*}" + "" <->{bind1}{bind2} "{t^*}[rs r1^]" + "" | +"[t^ rs']{r2^}" + "" <->{bind1}{bind2} "{t^*}[rs' r2^*]" + "{rs' t^}" | +"[u^* rs'*]::[prom es' e2^* e1^* eh]" + "{rs' t^}" <->{bind2}{bind2} "[rs'* t^*]::[prom es' e2^* e1^* eh]" + "" | +"{t^*}[es e1^]" + "" <->{bind2}{bind1} "[t^ es]{e1^*}" + "" | +"{t^*}[xs x1^]" + "" <->{bind2}{bind1} "[t^ xs]{x1^*}" + "" | +"" + "" ->{ann} "{vh}[v1^ v2^]{vs'}" | +"[t^ ys]{y1^*}" + "" <->{bind1}{bind2} "{t^*}[ys y1^]" + "{ys t^}" | +"[u^* ys*]::[prom es' e2^* e1^* eh]" + "{ys t^}" <->{bind2}{bind2} "[ys* t^*]::[prom es' e2^* e1^* eh]" + "" | +"" + "" ->{ann} "{yh}[y2^* y1^*]{ys}" | +"[t^ ys']{y2^}" + "" <->{bind1}{bind2} "{t^*}[ys' y2^*]" + "{ys' t^}" | +"[u^* ys'*]::[prom es e1^ e2^ eh]" + "{ys' t^}" <->{bind2}{bind2} "[ys'* t^*]::[prom es e1^ e2^ eh]" + "" | +"[xs'* t^*]::[prom vs' v2^* v1^* vh]" + "" <->{bind2}{bind2} "[u^* xs'*]::[prom vs' v2^* v1^* vh]" + "{xs' t^}" | +"{t^*}[xs' x2^*]" + "{xs' t^}" <->{bind2}{bind1} "[t^ xs']{x2^}" + "" | +"" + "" ->{ann} "{xh}[x1^ x2^]{xs'}" | +"[es'* t^*]::[prom vs' v2^* v1^* vh]" + "" <->{bind2}{bind2} "[u^* es'*]::[prom vs' v2^* v1^* vh]" + "{es' t^}" | +"[u^* es'*]::[prom xs' x2^* x1^* xh]" + "{es' t^}" <->{bind2}{bind2} "[es'* t^*]::[prom xs' x2^* x1^* xh]" + "" | +"{t^*}[es' e2^*]" + "{es' t^}" <->{bind2}{bind1} "[t^ es']{e2^}" + "" | +"" + "" ->{ann} "{eh}[e1^ e2^]{es'}" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.dna new file mode 100644 index 0000000..ab01d33 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 ACS Synth Biol - Yordanov - PI Controller - RNA Enzymes.dna @@ -0,0 +1,250 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ RNA Enzymes ------------------*) + +directive compilation infinite +def kbind = bind1 +dom x1 = {colour = "red"; bind = kbind; unbind = unbind} +dom x2 = {colour = "red"; bind = kbind; unbind = unbind} +dom r1 = {colour = "purple"; bind = kbind; unbind = unbind} +dom r2 = {colour = "purple"; bind = kbind; unbind = unbind} +dom e1 = {colour = "blue"; bind = kbind; unbind = unbind} +dom e2 = {colour = "blue"; bind = kbind; unbind = unbind} +dom v1 = {colour = "orange"; bind = kbind; unbind = unbind} +dom v2 = {colour = "orange"; bind = kbind; unbind = unbind} +dom y1 = {colour = "green"; bind = kbind; unbind = unbind} +dom y2 = {colour = "green"; bind = kbind; unbind = unbind} +dom t = {colour = "cyan"; bind = bind2; unbind = unbind} +dom u = {colour = "magenta"; bind = bind2; unbind = unbind} +dom rh = {colour = "brown"} +dom eh = {colour = "brown"} +dom vh = {colour = "brown"} +dom xh = {colour = "brown"} +dom yh = {colour = "brown"} +dom dx = {bind = ann; subdomains = [x1;x2]} +dom dr = {bind = ann; subdomains = [r1;r2]} +dom de = {bind = ann; subdomains = [e1;e2]} +dom dv = {bind = ann; subdomains = [v1;v2]} +dom dy = {bind = ann; subdomains = [y1;y2]} + +new rs new rs' new es new es' new vs new vs' +new xs new xs' new ys new ys' new load new load' new prom + +def Signal((x1,x2,xs,xs',xh)) = +def Signal'((x1,x2,xs,xs',xh)) = +def Template((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs* t^*]::[prom ys y1^ y2^ yh] +def Template'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs'* t^*]::[prom ys' y2^* y1^* yh] +def TemplateOff((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs*]::[prom ys y1^ y2^ yh] +def TemplateOff'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs'*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs'*]::[prom ys y1^ y2^ yh] +def TemplateInv((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs* t^*]::[prom ys' y2^* y1^* yh] +def TemplateInv'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs'* t^*]::[prom ys y1^ y2^ yh] +def Transducer((x1,x2,xs,xs',xh)) = [t^ xs]{x1^*} +def Transducer'((x1,x2,xs,xs',xh)) = [t^ xs']{x2^} +def TransducerRev((x1,x2,xs,xs',xh)) = {t^*}[xs x1^] +def TransducerRev'((x1,x2,xs,xs',xh)) = {t^*}[xs' x2^*] +def Rev((x1,x2,xs,xs',xh)) = +def Rev'((x1,x2,xs,xs',xh)) = +def Fwd(t,(x1,x2,xs,xs',xh)) = +def Fwd'(t,(x1,x2,xs,xs',xh)) = +def Ann((x1,x2,xs,xs',xh)) = {xh}[x1^ x2^]{xs'} + +def r = (r1,r2,rs,rs',rh) +def e = (e1,e2,es,es',eh) +def v = (v1,v2,vs,vs',vh) +def y = (y1,y2,ys,ys',yh) +def x = (x1,x2,xs,xs',xh) + +def Catalysis(k,x,y) = +( Cmax*k * TemplateOff(x,y) +| Cmax*k * Transducer(x) +| Cmax*k * TransducerRev(x) +| Cmax*k * Rev(x) +| rxn Template(x,y) ->{pol} Template(x,y) + Signal(y) +| 0 * Template(x,y) | 0* Fwd(t,x) +) +def Catalysis'(k,x,y) = +( Cmax*k * TemplateOff'(x,y) +| Cmax*k * Transducer'(x) +| Cmax*k * TransducerRev'(x) +| Cmax*k * Rev'(x) +| rxn Template'(x,y) ->{pol} Template'(x,y) + Signal'(y) +) +def CatalysisInv(k,x,y) = +( Cmax*k * TemplateOffInv(x,y) +| Cmax*k * Transducer(x) +| Cmax*k * TransducerRev(x) +| Cmax*k * Rev(x) +| rxn TemplateInv(x,y) ->{pol} TemplateInv(x,y) + Signal'(y) +) +def CatalysisInv'(k,x,y) = +( Cmax*k * TemplateOffInv'(x,y) +| Cmax*k * Transducer'(x) +| Cmax*k * TransducerRev'(x) +| Cmax*k * Rev'(x) +| rxn TemplateInv'(x,y) ->{pol} TemplateInv'(x,y) + Signal(y) +) +def Degradation(k,x) = (rxn Signal(x) ->{deg/k}) +def Degradation'(k,x) = (rxn Signal'(x) ->{deg/k}) +def Annihilation(x) = 0*Ann(x) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = ( Catalysis2(kI,x,y) ) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - 3-Stator Transmission Line.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - 3-Stator Transmission Line.crn new file mode 100644 index 0000000..5de3e85 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - 3-Stator Transmission Line.crn @@ -0,0 +1,43 @@ +directive sample 0.0,40000.0 1000 +directive plot ""; "[s*]{x^>"; "[s*]{F^}"; "{s F^}" +directive simulation deterministicstiff + +init "[s*]{x^>" 2.0 | +init "" 1.0 | +init "[[ {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 1.0 | +init "[[ {tether(a)}[a0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" 0.0 | +init "[s*]{F^}" 1.0 | +init "{s F^}" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]:[r^* s*] ]]" 0.0 | +"[[ {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" + "" ->{0.0003} "[[ {tether(a)}[a0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[a0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" ->{30.0} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" ->{30.0} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" + "[s*]{F^}" ->{0.0003} "{s F^}" + "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]:[r^* s*] ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - 3-Stator Transmission Line.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - 3-Stator Transmission Line.dna new file mode 100644 index 0000000..32d1dc2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - 3-Stator Transmission Line.dna @@ -0,0 +1,28 @@ +(* 3-stator transmission line *) +directive sample 40000.0 1000 +directive simulation deterministicstiff +directive polymers +directive localconcentrations [ (a, 100000); (b, 100000) ] +directive plot input(); fuel(); probe(); reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom r = { colour = "purple" } +dom Q = { colour = "black" } +dom F = { colour = "black" } + +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami() = [[ {tether(a) a0^*}[s]{y^> + | {tether(a,b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]] +def reporter() = {s F^} + +( input() +| 2 * fuel() +| probe() +| origami() +| 0 * reporter() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Communicating Transmission Lines.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Communicating Transmission Lines.crn new file mode 100644 index 0000000..51529ba --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Communicating Transmission Lines.crn @@ -0,0 +1,77 @@ +directive sample 0.0,40000.0 1000 +directive plot ""; "[s*]{x^>"; "[s*]{F^}"; "{s F^}" +directive simulation deterministicstiff + +init "[s*]{x^>" 4.0 | +init "" 1.0 | +init "[[ {tether(b) x^*}[s] + | {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> ]]" 1.0 | +init "[[ {tether(a)}[a0^ s]{y^ s} + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s] ]]" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s] ]]" 0.0 | +init "" 0.0 | +init "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s] ]]" 0.0 | +init "[[ {tether(a) b0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 1.0 | +init "[[ {tether(a)}[b0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" 0.0 | +init "[s*]{F^}" 1.0 | +init "{s F^}" 0.0 | +init "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]:[r^* s*] ]]" 0.0 | +"[[ {tether(b) x^*}[s] + | {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> ]]" + "" ->{0.0003} "[[ {tether(a)}[a0^ s]{y^ s} + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" | +"[[ {tether(a)}[a0^ s]{y^ s} + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*] + | {tether(b) x^*}[s] + | {tether(a, b) x^*}[s]{y^> ]]" ->{30.0} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s] ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s] ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s] ]]" | +"[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s] ]]" ->{30.0} "" + "[[ {tether(a)}[a0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s] ]]" | +"[[ {tether(a) b0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" + "" ->{0.0003} "[[ {tether(a)}[b0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[b0^ s]{y^ s} + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[b0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[b0^ s]:[y^* s*] + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]]" ->{30.0} "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]{y^ s} + | {tether(b) x^*}[s]{r^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" | +"[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*] + | {tether(b) x^*}[s]{r^> ]]" ->{30.0} "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" | +"[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]{r^ s} ]]" + "[s*]{F^}" ->{0.0003} "{s F^}" + "[[ {tether(a)}[b0^ s]:[y^* s*]::{tether(a, b)}[x^ s]:[y^* s*]::{tether(b)}[x^ s]:[r^* s*] ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Communicating Transmission Lines.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Communicating Transmission Lines.dna new file mode 100644 index 0000000..f1e174d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Communicating Transmission Lines.dna @@ -0,0 +1,32 @@ +(* Two 3-stator transmission lines on different origamis *) +directive sample 40000.0 1000 +directive simulation deterministicstiff +directive polymers +directive localconcentrations [ (a, 100000); (b, 100000) ] +directive plot input(); fuel(); probe(); reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom r = { colour = "purple" } +dom Q = { colour = "black" } +dom F = { colour = "black" } + +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami1() = [[ {tether(a) a0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s] ]] +def origami2() = [[ {tether(a) b0^*}[s]{y^> + | {tether(a, b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]] +def reporter() = {s F^} + +( input() +| 4 * fuel() +| probe() +| origami1() +| origami2() +| 0 * reporter() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).crn new file mode 100644 index 0000000..ccfe648 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).crn @@ -0,0 +1,60 @@ +directive sample 0.0,40000.0 1000 +directive plot "{s F}" +directive simulation deterministicstiff + +init "[s*]{x^>" 2.0 | +init "" 1.0 | +init "[[ {tether(a, b) a0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" 1.0 | +init "[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(a, c)}[x^ s]{blank^ s} + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{z^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[s*]{F}" 1.0 | +init "{s F}" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]:[z^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +"[[ {tether(a, b) a0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "" ->{0.0003} "[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" ->{300.0} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(a, c)}[x^ s]{blank^ s} + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> + | {tether(c, d) b0^*}[s]{y^> ]]" ->{30.0} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{z^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{z^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "[s*]{F}" ->{0.0003} "{s F}" + "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]:[z^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).dna new file mode 100644 index 0000000..f2b90fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate (With Reporter).dna @@ -0,0 +1,30 @@ +(* Threshold-based spatial AND gate modified to add a reporter of output *) +directive sample 40000.0 1000 +directive polymers +directive simulation deterministicstiff +directive localconcentrations [ (a, 1000000); (b, 100000); (c, 1000000); (d, 100000) ] +directive plot reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom b0 = { colour = "purple" } +dom blank = { colour = "black" } + +def input1() = +def input2() = +def fuel() = [s*]{x^> +def probe() = [s*]{F} +def reporter() = {s F} +def origami() = [[ {tether(a, b) a0^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{z^> ]] + +( input1() +(*| input2()*) +| 2 * fuel() +| probe() +| 0 * reporter() +| origami() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.crn new file mode 100644 index 0000000..383e813 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.crn @@ -0,0 +1,57 @@ +directive sample 0.0,10000.0 1000 +directive simulation deterministicstiff + +init "[s*]{x^>" 3.0 | +init "" 1.0 | +init "[[ {tether(a, b) a0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" 1.0 | +init "[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(a, c)}[x^ s]{blank^ s} + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" 0.0 | +"[[ {tether(a, b) a0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "" ->{0.0003} "[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" ->{300.0} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(a, c)}[x^ s]{blank^ s} + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> ]]" ->{30.0} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]{y^ s} + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" + "[s*]{x^>" ->{0.0003} "[[ {tether(a, b)}[a0^ s]:[y^* s*]::{tether(b, d)}[x^ s]:[y^* s*] + | {tether(a, c) x^*}[s]{blank^> + | {tether(c, d) b0^*}[s]{y^> ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.dna new file mode 100644 index 0000000..bee08d5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2014 DNA - Lakin - Threshold-Based Spatial AND Gate.dna @@ -0,0 +1,25 @@ +(* Threshold-based spatial AND gate *) +directive sample 10000.0 1000 +directive polymers +directive simulation deterministicstiff +directive localconcentrations [ (a, 1000000); (b, 100000); (c, 1000000); (d, 100000) ] + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom b0 = { colour = "purple" } +dom blank = { colour = "black" } + +def input1() = +def input2() = +def fuel() = [s*]{x^> +def origami() = [[ {tether(a, b) a0^*}[s]{y^> + | {tether(c, d) b0^*}[s]{y^> + | {tether(a, c) x^*}[s]{blank^> + | {tether(b, d) x^*}[s]{y^> ]] + +( input1() +(*| input2()*) +| 3 * fuel() +| origami() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2Domain.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2Domain.crn new file mode 100644 index 0000000..b0f4eaa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2Domain.crn @@ -0,0 +1,257 @@ +directive sample 0.0,250000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ c = 0.0008 + ; x0 = 4.0 + ; kt = 0.001 + ; ku = 0.001 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; s = 2.0 ] + +event "" 1.0 @ 200000.0 | +event "" 2.0 @ 150000.0 | +event "" ((2.0 * s) * x0) @ 100000.0 | +event "" ((2.0 * s) * x0) @ 50000.0 | +init "{t^*}[x t^]:[x']" Cmax | +init "{t^*}[x' t^]:[x]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[r t^]:[r']" Cmax | +init "{t^*}[r' t^]:[r]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[y t^]:[y']" Cmax | +init "{t^*}[y' t^]:[y]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[v t^]:[v']" Cmax | +init "{t^*}[v' t^]:[v]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[e t^]:[e']" Cmax | +init "{t^*}[e' t^]:[e]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^(c)*}[r u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ r]{u^*}" Cmax | +init "{t^(c)*}[r' u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ r']{u^*}" Cmax | +init "{t^(c)*}[y' u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ y']{u^*}" Cmax | +init "" (2.0 * Cmax) | +init "{t^(c)*}[y u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ y]{u^*}" Cmax | +init "" (2.0 * Cmax) | +init "{t^(c)*}[e u^]:[x u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e' u^]:[x' u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e u^]:[v u^]:[i]" Cmax | +init "[i]:[t^ e]{u^*}" (4.0 * Cmax) | +init "{t^(c)*}[e' u^]:[v' u^]:[i]" Cmax | +init "[i]:[t^ e']{u^*}" (4.0 * Cmax) | +init "{t^(c)*}[x u^]:[v u^]:[i]" Cmax | +init "[i]:[t^ x]{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v]{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[x' u^]:[v' u^]:[i]" Cmax | +init "[i]:[t^ x']{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v']{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "" (10.0 * Cmax) | +init "" (10.0 * Cmax) | +init "{t^(c)*}[e]" Cmax | +init "{t^(c)*}[e']" Cmax | +init "{t^(c)*}[v]" Cmax | +init "{t^(c)*}[v']" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" (x0 * s) | +init "[t^ r]{t^*}:[r']" 0.0 | +init "[t^(c) r]{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) r]:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) r]:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e u^]" 0.0 | +init "[i t^]:[e u^]" 0.0 | +init "" 0.0 | +init "[t^ e]{t^*}:[e']" 0.0 | +init "[t^(c) e]{u^*}:[x u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ x]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ x]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x u^]" 0.0 | +init "[i t^]:[x u^]" 0.0 | +init "" 0.0 | +init "[t^ x]{t^*}:[x']" 0.0 | +init "[t^(c) x]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) x]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) x]:[u^ v]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v u^]" 0.0 | +init "[i t^]:[v u^]" 0.0 | +init "" 0.0 | +init "[t^ v]{t^*}:[v']" 0.0 | +init "[t^(c) v]" 0.0 | +init "" 0.0 | +init "[t^(c) e]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ v]:[u^ i]" 0.0 | +init "[t^(c) e]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r u^]" 0.0 | +init "[i t^]:[r u^]" 0.0 | +init "" 0.0 | +init "[t^ r']{t^*}:[r]" 0.0 | +init "[t^ r']:[t^ r]" 0.0 | +init "" 0.0 | +init "[t^(c) r']{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) r']:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) r']:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e' u^]" 0.0 | +init "[i t^]:[e' u^]" 0.0 | +init "" 0.0 | +init "[t^ e']{t^*}:[e]" 0.0 | +init "[t^ e']:[t^ e]" 0.0 | +init "[t^(c) e']{u^*}:[x' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ x']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ x']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x' u^]" 0.0 | +init "[i t^]:[x' u^]" 0.0 | +init "" 0.0 | +init "[t^ x']{t^*}:[x]" 0.0 | +init "[t^ x']:[t^ x]" 0.0 | +init "" 0.0 | +init "[t^(c) x']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) x']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) x']:[u^ v']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v' u^]" 0.0 | +init "[i t^]:[v' u^]" 0.0 | +init "" 0.0 | +init "[t^ v']{t^*}:[v]" 0.0 | +init "[t^ v']:[t^ v]" 0.0 | +init "[t^(c) v']" 0.0 | +init "" 0.0 | +init "[t^ v]:[t^ v']" 0.0 | +init "[t^ x]:[t^ x']" 0.0 | +init "" 0.0 | +init "[t^(c) e']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ v']:[u^ i]" 0.0 | +init "[t^(c) e']" 0.0 | +init "" 0.0 | +init "[t^ e]:[t^ e']" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r' u^]" 0.0 | +init "[i t^]:[r' u^]" 0.0 | +init "[t^ r]:[t^ r']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ y]{t^*}:[y']" 0.0 | +init "[t^(c) y]{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) y]:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) y]:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y u^]" 0.0 | +init "[i t^]:[y u^]" 0.0 | +init "" 0.0 | +init "[t^ y']{t^*}:[y]" 0.0 | +init "[t^ y']:[t^ y]" 0.0 | +init "" 0.0 | +init "[t^(c) y']{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) y']:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) y']:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y' u^]" 0.0 | +init "[i t^]:[y' u^]" 0.0 | +init "[t^ y]:[t^ y']" 0.0 | +init "" 0.0 | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{1.0} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"{t^*}[r t^]:[r']" + "" <->{kt}{kt} "[t^ r]{t^*}:[r']" + "" | +"[t^(c) r]:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) r]:[u^ e]:[u^ i]" + "" | +"[t^(c) r]{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) r]:[u^ e]{u^*}:[i]" + "" | +"[i]{t^*}:[e u^]" + "" ->{kt} "[i t^]:[e u^]" + "" | +"{t^(c)*}[e]" + "" ->{(kt * c)} "[t^(c) e]" + "" | +"[i]:[t^ e]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e u^]" + "" | +"{t^*}[e t^]:[e']" + "" <->{kt}{kt} "[t^ e]{t^*}:[e']" + "" | +"{t^(c)*}[e u^]:[x u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[x u^]:[i]" + "" | +"[t^(c) e]:[u^ x]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ x]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[x u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ x]{u^*}:[i]" + "" | +"[i]{t^*}:[x u^]" + "" ->{kt} "[i t^]:[x u^]" + "" | +"[i]:[t^ x]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x u^]" + "" | +"{t^*}[x t^]:[x']" + "" <->{kt}{kt} "[t^ x]{t^*}:[x']" + "" | +"{t^(c)*}[x u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x]{u^*}:[v u^]:[i]" + "" | +"[t^(c) x]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) x]:[u^ v]:[u^ i]" + "" | +"[t^(c) x]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) x]:[u^ v]{u^*}:[i]" + "" | +"[i]{t^*}:[v u^]" + "" ->{kt} "[i t^]:[v u^]" + "" | +"{t^(c)*}[v]" + "" ->{(kt * c)} "[t^(c) v]" + "" | +"[i]:[t^ v]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v u^]" + "" | +"{t^*}[v t^]:[v']" + "" <->{kt}{kt} "[t^ v]{t^*}:[v']" + "" | +"{t^(c)*}[e u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[v u^]:[i]" + "" | +"[t^(c) e]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ v]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ v]{u^*}:[i]" + "" | +"{t^(c)*}[r u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r]{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[r u^]" + "" ->{kt} "[i t^]:[r u^]" + "" | +"[i]:[t^ r]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r u^]" + "" | +"[t^ r]{t^*}:[r']" + "" ->{kt} "[t^ r]:[t^ r']" + "" | +"{t^*}[r' t^]:[r]" + "" <->{kt}{kt} "[t^ r']{t^*}:[r]" + "" | +"[t^ r']{t^*}:[r]" + "" ->{kt} "[t^ r']:[t^ r]" + "" | +"[t^(c) r']:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) r']:[u^ e']:[u^ i]" + "" | +"[t^(c) r']{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) r']:[u^ e']{u^*}:[i]" + "" | +"[i]{t^*}:[e' u^]" + "" ->{kt} "[i t^]:[e' u^]" + "" | +"{t^(c)*}[e']" + "" ->{(kt * c)} "[t^(c) e']" + "" | +"[t^ e]{t^*}:[e']" + "" ->{kt} "[t^ e]:[t^ e']" + "" | +"[i]:[t^ e']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e' u^]" + "" | +"{t^*}[e' t^]:[e]" + "" <->{kt}{kt} "[t^ e']{t^*}:[e]" + "" | +"[t^ e']{t^*}:[e]" + "" ->{kt} "[t^ e']:[t^ e]" + "" | +"{t^(c)*}[e' u^]:[x' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[x' u^]:[i]" + "" | +"[t^(c) e']:[u^ x']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ x']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[x' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ x']{u^*}:[i]" + "" | +"[i]{t^*}:[x' u^]" + "" ->{kt} "[i t^]:[x' u^]" + "" | +"[t^ x]{t^*}:[x']" + "" ->{kt} "[t^ x]:[t^ x']" + "" | +"[i]:[t^ x']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x' u^]" + "" | +"{t^*}[x' t^]:[x]" + "" <->{kt}{kt} "[t^ x']{t^*}:[x]" + "" | +"[t^ x']{t^*}:[x]" + "" ->{kt} "[t^ x']:[t^ x]" + "" | +"{t^(c)*}[x' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) x']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) x']:[u^ v']:[u^ i]" + "" | +"[t^(c) x']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) x']:[u^ v']{u^*}:[i]" + "" | +"[i]{t^*}:[v' u^]" + "" ->{kt} "[i t^]:[v' u^]" + "" | +"{t^(c)*}[v']" + "" ->{(kt * c)} "[t^(c) v']" + "" | +"[t^ v]{t^*}:[v']" + "" ->{kt} "[t^ v]:[t^ v']" + "" | +"[i]:[t^ v']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v' u^]" + "" | +"{t^*}[v' t^]:[v]" + "" <->{kt}{kt} "[t^ v']{t^*}:[v]" + "" | +"[t^ v']{t^*}:[v]" + "" ->{kt} "[t^ v']:[t^ v]" + "" | +"{t^(c)*}[e' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) e']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ v']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ v']{u^*}:[i]" + "" | +"{t^(c)*}[r' u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r']{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[r' u^]" + "" ->{kt} "[i t^]:[r' u^]" + "" | +"[i]:[t^ r']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r' u^]" + "" | +"{t^*}[y t^]:[y']" + "" <->{kt}{kt} "[t^ y]{t^*}:[y']" + "" | +"[t^(c) y]:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) y]:[u^ e']:[u^ i]" + "" | +"[t^(c) y]{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) y]:[u^ e']{u^*}:[i]" + "" | +"{t^(c)*}[y u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y]{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[y u^]" + "" ->{kt} "[i t^]:[y u^]" + "" | +"[i]:[t^ y]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y u^]" + "" | +"[t^ y]{t^*}:[y']" + "" ->{kt} "[t^ y]:[t^ y']" + "" | +"{t^*}[y' t^]:[y]" + "" <->{kt}{kt} "[t^ y']{t^*}:[y]" + "" | +"[t^ y']{t^*}:[y]" + "" ->{kt} "[t^ y']:[t^ y]" + "" | +"[t^(c) y']:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) y']:[u^ e]:[u^ i]" + "" | +"[t^(c) y']{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) y']:[u^ e]{u^*}:[i]" + "" | +"{t^(c)*}[y' u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y']{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[y' u^]" + "" ->{kt} "[i t^]:[y' u^]" + "" | +"[i]:[t^ y']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y' u^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/2Domain.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2Domain.dna new file mode 100644 index 0000000..b2890e0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/2Domain.dna @@ -0,0 +1,179 @@ +(*------------------ 2 Domain implementation ---------------*) + +(*------------------ Settings ------------------------------*) +directive compilation infinite +directive simulation deterministicstiff +(* PI Controller settings *) +directive duration 250000.0 points 1000 +directive plot + sub (; ); (* R - R' *) + sub (; ); (* V - V' *) + sub (; ); (* Y - Y' *) + sub (; ) + +directive event 2*s*x0 @ 50000.0 +directive event 2*s*x0 @ 100000.0 +directive event 2.0 @ 150000.0 +directive event 1.0 @ 200000.0 + +(* +directive duration 500000.0 points 1000 +directive event 2*s*x0 @ 50000.0 +directive event 2*s*x0 @ 100000.0 +directive event 2*s*x0 @ 150000.0 +directive event 2*s*x0 @ 200000.0 +directive event 2*s*x0 @ 250000.0 +directive event 2*s*x0 @ 300000.0 +directive event 2*s*x0 @ 350000.0 +directive event 2*s*x0 @ 400000.0 +directive event 2*s*x0 @ 450000.0 +*) +(* Circuit component settings (no events) +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() +*) +directive parameters[ + c = 0.0008; + x0 = 4.0; + kt = 0.001; + ku = 0.001; + unbind = 0.1126; + Cmax = 1000.0; + s = 2.0 +] + +new t@kt,unbind +new u@ku,unbind + +(* Plotting *) +def R() = (* Signal(r) *) +def R'() = (* Signal(r') *) +def E() = (* Signal(e) *) +def E'() = (* Signal(e') *) +def V() = (* Signal(v) *) +def V'() = (* Signal(v') *) +def Y() = (* Signal(y) *) +def Y'() = (* Signal(y') *) +def X() = (* Signal(x) *) +def X'() = (* Signal(x') *) +def Load() = +def Load'() = + +def Signal(x) = + +(*------------------ Basic Reactions -----------------------*) +def Degradation(k,x) = Cmax/k * {t^(c)*}[x] +def Degradation2(k,x,x') = +( Degradation(k,x) +| Degradation(k,x') +) +def Annihilation(x,x') = +( Cmax * {t^*}[x t^]:[x'] +| Cmax * {t^*}[x' t^]:[x] +| Cmax * +| Cmax * +) +def Catalysis(k,x,y) = +( Cmax*k * {t^(c)*}[x u^]:[y u^]:[i] +| Cmax*k * [i]:[t^ x]{u^*} +| Cmax*k * [i]:[t^ y]{u^*} +| Cmax*k * +| Cmax*k * +| Cmax*k * +) +def Catalysis2(k,x,x',y,y') = +( Catalysis(k,x,y) +| Catalysis(k,x',y') +) + +(*------------------ Blocks -------------------------------*) +def Integration(k,x,x',y,y') = Catalysis2(k,x,x',y,y') +def Gain(k,kD,x,x',y,y') = +( Catalysis2(k,x,x',y,y') +| Degradation2(kD,y,y') +) +def Summation(k1,k2,kD,x1,x1',x2,x2',y,y') = +( Catalysis2(k1,x1,x1',y,y') +| Catalysis2(k2,x2,x2',y,y') +| Degradation2(kD,y,y') +) +def SummationInv(k1,k2,kD,x1,x1',x2,x2',y,y') = + Summation(k1,k2,kD,x1,x1',x2',x2,y,y') + +def PI(kP,kI,r,r',y,y',v,v') = +( SummationInv(1.0,1.0,1.0,r,r',y,y',e,e') +| Integration(kI,e,e',x,x') +| Summation(kP,1.0,1.0,e,e',x,x',v,v') +| Annihilation(x,x') +) +def Plant(v, v', y, y') = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal(v') ->{0.2} Signal(v') + Signal(y') +| rxn Signal(y) ->{0.1} +| rxn Signal(y')->{0.1} +| rxn Signal(y') + Signal(y) ->{1.0} +| rxn Load() + Signal(y) ->{0.01} Load() +| rxn Load'() + Signal(y') ->{0.01} Load'() +| rxn Load() + Load'() ->{1.0} +) +def Plottables() = +( 0 * R() +| 0 * R'() +| 0 * V() +| 0 * V'() +| 0 * Y() +| 0 * Y'() +| 0 * Load() +| 0 * Load'() +) + +(*------------------ Full system ----------------------------*) +def System() = +( Plottables() +| x0 * s * R() +| PI(1.0,1.0,r,r',y,y',v,v') +| Plant(v,v',y,y') +| Annihilation(r,r') +| Annihilation(y,y') +| Annihilation(v,v') +| Annihilation(e,e') +) + +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x,x') +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,x',y,y') +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,x',e,e',v,v') +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,y',r,r',e,e') +| Annihilation(e,e') +) + +(*------------------ Run -------------------------------------*) +System() +(* +TestAnnihilation() +TestCatalysis() +TestDegradation() +System() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Circuit.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Circuit.crn new file mode 100644 index 0000000..bef06ec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Circuit.crn @@ -0,0 +1,15 @@ +directive sample 0.0,1000000.0 1000 +directive plot "<1^ 2>"; "<3 4^>"; "<2 3>" +directive scale 100.0 + +init "{1^*}[2 3]{4^*}" 10.0 | +init "<1^ 2>" 1.0 | +init "[1^ 2]:<2>[3]{4^*}" 0.0 | +init "<3 4^>" 1.0 | +init "{1^*}[2 3]:<3>[4^]" 0.0 | +init "[1^ 2]:[3 4^]" 0.0 | +init "<2 3>" 0.0 | +"{1^*}[2 3]{4^*}" + "<1^ 2>" <->{0.0003}{0.1126} "[1^ 2]:<2>[3]{4^*}" | +"[1^ 2]:<2>[3]{4^*}" + "<3 4^>" ->{0.0003} "[1^ 2]:[3 4^]" + "<2 3>" | +"{1^*}[2 3]{4^*}" + "<3 4^>" <->{0.0003}{0.1126} "{1^*}[2 3]:<3>[4^]" | +"{1^*}[2 3]:<3>[4^]" + "<1^ 2>" ->{0.0003} "[1^ 2]:[3 4^]" + "<2 3>" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Circuit.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Circuit.dna new file mode 100644 index 0000000..8c263ac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Circuit.dna @@ -0,0 +1,16 @@ +directive sample 1000000.0 1000 +directive plot <1^ 2>; <3 4^>; <2 3> +directive scale 100.0 +def N1 = 1 +def N2 = 1 +def N = 10 +def Input1() = <1^ 2> +def Input2() = <3 4^> +def Output() = <2 3> +def AND() = {1^*}[2 3]{4^*} + +( N1*Input1() +| N2*Input2() +| N*AND() +| 0*Output() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Directives.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Directives.crn new file mode 100644 index 0000000..1058186 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Directives.crn @@ -0,0 +1,17 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; ""; ""; "" +directive simulation deterministic + +init "" 10.0 | +init "" 10.0 | +init "{tb^*}[b tx^]:[x to^]" 100.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]{to^*}" 100.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{0.0003} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Directives.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Directives.dna new file mode 100644 index 0000000..6a482a0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Directives.dna @@ -0,0 +1,17 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Output(); Signal() +directive scale 1.0 +directive compilation infinite +directive simulation deterministic +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Events.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Events.crn new file mode 100644 index 0000000..98e3cff --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Events.crn @@ -0,0 +1,24 @@ +directive sample 0.0,10000.0 1000 +directive plot "" +directive scale 10.0 +directive simulation deterministicstiff +directive parameters + [ N = 1.0 + ; T1 = 1000.0 ] +directive sweep sweep_1 = + { N = [0.0, 0.2, 0.4, 0.6] } + +event "" (N * 10.0) @ T1 | +init "" 0.0 | +init "" 10.0 | +init "{tb^*}[b tx^]:[x to^]" 100.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]{to^*}" 100.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{0.0003} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Events.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Events.dna new file mode 100644 index 0000000..5ffc521 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Events.dna @@ -0,0 +1,20 @@ +directive duration 10000.0 points 1000 +directive plot Signal() +directive scale 10.0 +directive compilation infinite +directive simulation deterministicstiff +directive event N*10.0 @ T1 +directive parameters [ N = 1.0; T1 = 1000.0 ] +directive sweep N = [0.0,0.2,0.4,0.6] +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Gate With Nicks.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Gate With Nicks.crn new file mode 100644 index 0000000..610d180 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Gate With Nicks.crn @@ -0,0 +1,30 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 + ; c = 50.0 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init "{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" 1.0 | +init "{T^*}[Ca Cb]" 1.0 | +init "" in1 | +init "[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" in2 | +init "{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" 0.0 | +init "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ Ca Cb]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" + "" + "" | +"{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" + "" ->{(1E-09 * c)} "{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" + "" + "" | +"[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" + "" + "" | +"{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" + "" ->{(c * 5E-05)} "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" + "" + "" | +"{T^*}[Ca Cb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Gate With Nicks.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Gate With Nicks.dna new file mode 100644 index 0000000..3707324 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Gate With Nicks.dna @@ -0,0 +1,32 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0; c = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( + in1*STRAND(T, Aa, Ab) +| in2*STRAND(T, Ba, Bb) +| AND(T, Aa, Ab, T, Ba, Bb, T, Ca, Cb) +| REPORTER(T, Ca, Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Reporter.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Reporter.crn new file mode 100644 index 0000000..a911bb7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Reporter.crn @@ -0,0 +1,21 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; ""; "" +directive scale 10.0 + +init "" 10.0 | +init "" 10.0 | +init "{tb^*}[b tx^]:[x to^]" 100.0 | +init "[tb^ b]:[tx^]:[x to^]" 0.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]:[to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]{to^*}" 100.0 | +init "[x to^]" 0.0 | +init "" 0.0 | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^]:[x to^]" | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^ x]:[to^]" | +"[tb^ b]:[tx^ x]:[to^]" <->{0.1126}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"[tb^ b]:[tx^]:[x to^]" <->{0.1126}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" | +"[x]{to^*}" + "" ->{0.0003} "[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Reporter.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Reporter.dna new file mode 100644 index 0000000..a466614 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND Reporter.dna @@ -0,0 +1,15 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Signal() +directive scale 10.0 +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND.crn new file mode 100644 index 0000000..9fe61e3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND.crn @@ -0,0 +1,17 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; ""; "" +directive scale 10.0 + +init "" 10.0 | +init "" 10.0 | +init "{tb^*}[b tx^]:[x to^]" 100.0 | +init "[tb^ b]:[tx^]:[x to^]" 0.0 | +init "[tb^ b]{tx^*}:[x to^]" 0.0 | +init "[tb^ b]:[tx^ x]:[to^]" 0.0 | +init "[tb^ b]:[tx^ x]{to^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +"{tb^*}[b tx^]:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^]:[x to^]" | +"[tb^ b]{tx^*}:[x to^]" + "" <->{0.0003}{0.1126} "[tb^ b]:[tx^ x]:[to^]" | +"[tb^ b]:[tx^ x]:[to^]" <->{0.1126}{0.0003} "[tb^ b]:[tx^ x]{to^*}" + "" | +"[tb^ b]:[tx^]:[x to^]" <->{0.1126}{0.0003} "[tb^ b]{tx^*}:[x to^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND.dna new file mode 100644 index 0000000..a12b0d4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/AND.dna @@ -0,0 +1,12 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Output() +directive scale 10.0 +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +( 10*Input1() +| 10*Input2() +| 100*Join() +| 0*Output() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/And Gate.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/And Gate.crn new file mode 100644 index 0000000..9364204 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/And Gate.crn @@ -0,0 +1,54 @@ +directive plot ""; "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" 10.0 | +init "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" 0.0 | +init "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" 0.0 | +init "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S31^ S32]:[S33^ S34 S1]" 0.0 | +init "{S31^*}[S32 S33^ S34 S1]" 0.0 | +init "[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c^ S3^ S4a S4b^]{S5^*}" 0.0 | +init "" 0.0 | +init "[S31^ S32]{S33^*}:[S34 S1]" 0.0 | +init "" 0.0 | +init "[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" 0.0 | +init "" 0.0 | +init "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S31^ S32]:[S33^]:[S34 S1]" 0.0 | +init "{S31^*}[S32 S33^]:[S34 S1]" 0.0 | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" ->{0.0003} "[S31^ S32]:[S33^ S34 S1]" + "[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" + "" ->{0.0003} "[S31^ S32]:[S33^ S34 S1]" + "[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.0003} "[S31^ S32]:[S33^ S34 S1]" + "[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" + "[S31^ S32]{S33^*}:[S34 S1]" | +"[S31^ S32]:[S33^ S34 S1]" <->{0.1126}{0.0003} "{S31^*}[S32 S33^ S34 S1]" + "" | +"[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" + "" | +"[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" <->{0.004}{0.00065} "[S2a S2b^ S2c^ S3^ S4a S4b^]{S5^*}" + "" | +"[S31^ S32]{S33^*}:[S34 S1]" + "" ->{0.0003} "[S31^ S32]:[S33^ S34 S1]" + "" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.04}{0.00042} "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" | +"[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" <->{0.00042}{0.04} "[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.004}{0.00065} "[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" <->{0.1126}{0.0003} "[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.1126}{0.0003} "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" + "" | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" + "{S31^*}[S32 S33^]:[S34 S1]" | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.04}{0.00042} "{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" | +"{S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" | +"[S31^ S32]{S33^*}:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c^ S3^ S4a S4b^]:[S5^]" + "[S31^ S32]:[S33^]:[S34 S1]" | +"[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]:[S5^]" <->{0.04}{0.00042} "[S31^ S32]:[S33^]:[S34 S1]::[S2a S2b^ S2c^]{S3^*}:[S4a S4b^ S5^]" + "" | +"[S31^ S32]{S33^*}:[S34 S1]" + "" <->{0.0003}{0.1126} "[S31^ S32]:[S33^]:[S34 S1]" | +"[S31^ S32]:[S33^]:[S34 S1]" <->{0.1126}{0.0003} "{S31^*}[S32 S33^]:[S34 S1]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/And Gate.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/And Gate.dna new file mode 100644 index 0000000..b07efc7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/And Gate.dna @@ -0,0 +1,33 @@ +(* A representation of an And Gate, requiring two species to release, from Fig S11 *) +directive plot ; Gate() + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} (* x *) +dom S2b = { seq=TCTCCA; bind=4.2E-4; unbind=4.0E-2} (* y *) +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} (* x *) +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} +dom S9b = {seq=CCTACG} (* x *) +dom S10 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S31 = {seq=CACACA} +dom S32 = {seq=ACTTCAGTCATTAAGC} +dom S33 = {seq = AGAC } +dom S34 = {seq = CCATACAAGTATCA } + + +def FuelOne() = +def FuelTwo() = +def Gate() = {S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*} + +def AndGate(N) = + ( N*Gate() | N* + | N* + | N*FuelOne() | N*FuelTwo()) + +AndGate(10) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Fork.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Fork.crn new file mode 100644 index 0000000..707ea58 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Fork.crn @@ -0,0 +1,30 @@ +directive sample 0.0,30000.0 1000 +directive plot sum(""); sum(""); sum("") +directive scale 100.0 + +init "" 1.0 | +init "{tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" 100.0 | +init "" 100.0 | +init "[x]{ta^*}" 100.0 | +init "[B]{tx^*}" 100.0 | +init "" 1.0 | +init "[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" 0.0 | +init "[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tz^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tz^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tz^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ta^ a ty^ b tz^ c tB^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x ta^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B tx^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" | +"[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tz^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tz^]:[c tB^]" | +"[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tz^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tx^ x]:[ta^ a ty^ b tz^ c tB^]" + "" + "" + "" | +"[x]{ta^*}" + "" ->{0.0003} "[x ta^]" + "" | +"[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tz^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tz^]:[c tB^]" + "" | +"[B]{tx^*}" + "" ->{0.0003} "[B tx^]" + "" | +"[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tz^]:[c tB^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Fork.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Fork.dna new file mode 100644 index 0000000..a7a842b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Fork.dna @@ -0,0 +1,23 @@ +directive duration 30000.0 points 1000 +directive plot sum(<_ tx^ x>); [B]:[tx^]; sum(<_ ty^ y>); sum(<_ tz^ z>); +[tB^ B]:{tx^}:[x ta^]:[a ty]:[b tz^]:[c tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind + +def BF2(M,N, tx,x, ty,y, tz,z) = +new ta@bind,unbind new a new b new c new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +( BF2(Buff,1, tx,x, ty,y, tz,z) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Join.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Join.crn new file mode 100644 index 0000000..ba27aa8 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Join.crn @@ -0,0 +1,55 @@ +directive sample 0.0,100000.0 1000 +directive plot sum(""); sum(""); sum(""); sum(""); "" +directive scale 100.0 + +init "" 1.0 | +init "" 1.0 | +init "{tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 100.0 | +init "" 100.0 | +init "[B]{tx^*}" 100.0 | +init "[x]:[ty^ d]:[td^ y]{ta^*}" 100.0 | +init "" 100.0 | +init "{td^*}[y]" 100.0 | +init "{ty^*}[d]" 100.0 | +init "" 1.0 | +init "[tB^ B]:[tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]{tx^*}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]{ty^*}:[y ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ty^ y]:[ta^]:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ty^ y]{ta^*}:[a tz^]:[b tw^]:[c tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ty^ y]:[ta^ a tz^ b tw^ c tB^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]:[ty^ d]:[td^ y]:[ta^]" 0.0 | +init "[x]:[ty^ d]{td^*}:[y ta^]" 0.0 | +init "[x]:[ty^ d]:[td^]:[y ta^]" 0.0 | +init "[x]{ty^*}:[d td^]:[y ta^]" 0.0 | +init "" 0.0 | +init "[ty^ d]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td^ y]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x ty^]:[d td^]:[y ta^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B tx^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" | +"[tB^ B]{tx^*}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^ x]:[ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" | +"[tB^ B]:[tx^ x]{ty^*}:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^ x]:[ty^ y]:[ta^]:[a tz^]:[b tw^]:[c tB^]" | +"[tB^ B]:[tx^ x]:[ty^ y]{ta^*}:[a tz^]:[b tw^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tx^ x]:[ty^ y]:[ta^ a tz^ b tw^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tx^ x]:[ty^ y]:[ta^]:[a tz^]:[b tw^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tx^ x]:[ty^ y]{ta^*}:[a tz^]:[b tw^]:[c tB^]" + "" | +"[x]:[ty^ d]:[td^ y]{ta^*}" + "" <->{0.0003}{0.1126} "[x]:[ty^ d]:[td^ y]:[ta^]" | +"[x]:[ty^ d]{td^*}:[y ta^]" + "" <->{0.0003}{0.1126} "[x]:[ty^ d]:[td^]:[y ta^]" | +"{ty^*}[d]" + "" ->{0.0003} "[ty^ d]" + "" | +"[x]:[ty^ d]:[td^]:[y ta^]" <->{0.1126}{0.0003} "[x]{ty^*}:[d td^]:[y ta^]" + "" | +"{td^*}[y]" + "" ->{0.0003} "[td^ y]" + "" | +"[x]:[ty^ d]:[td^ y]:[ta^]" <->{0.1126}{0.0003} "[x]:[ty^ d]{td^*}:[y ta^]" + "" | +"[tB^ B]:[tx^ x]:[ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tx^ x]{ty^*}:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" | +"[x]{ty^*}:[d td^]:[y ta^]" + "" ->{0.0003} "[x ty^]:[d td^]:[y ta^]" + "" | +"[B]{tx^*}" + "" ->{0.0003} "[B tx^]" + "" | +"[tB^ B]:[tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]{tx^*}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Join.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Join.dna new file mode 100644 index 0000000..cda0418 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Join.dna @@ -0,0 +1,29 @@ +directive duration 100000.0 points 1000 +directive plot sum(<_ tx^ x>); sum(<_ ty^ y>); sum(<_ tz^ z>); sum(<_ tw^ w>); ; +[tB^ B]:{tx^}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind +new tw@bind,unbind + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * +) + +( BJ2x2(Buff,1, tx,x, ty,y, tz,z, tw,w) +| 1 * +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Transducer.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Transducer.crn new file mode 100644 index 0000000..1858634 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Transducer.crn @@ -0,0 +1,29 @@ +directive sample 0.0,30000.0 1000 +directive plot sum(""); sum("") +directive scale 100.0 + +init "" 1.0 | +init "{tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^]" 100.0 | +init "" 100.0 | +init "[x]{ta^*}" 100.0 | +init "[B]{tx^*}" 100.0 | +init "" 1.0 | +init "[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tB^]" 0.0 | +init "[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tB^]" 0.0 | +init "[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tB^]" 0.0 | +init "[tB^ B]:[tx^ x]:[ta^ a ty^ b tB^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x ta^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B tx^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tB^]" | +"[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tB^]" | +"[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tB^]" + "" ->{0.0003} "[tB^ B]:[tx^ x]:[ta^ a ty^ b tB^]" + "" + "" | +"[x]{ta^*}" + "" ->{0.0003} "[x ta^]" + "" | +"[tB^ B]:[tx^ x]:[ta^]:[a ty^]:[b tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tx^ x]{ta^*}:[a ty^]:[b tB^]" + "" | +"[B]{tx^*}" + "" ->{0.0003} "[B tx^]" + "" | +"[tB^ B]:[tx^]:[x ta^]:[a ty^]:[b tB^]" <->{0.1126}{0.0003} "[tB^ B]{tx^*}:[x ta^]:[a ty^]:[b tB^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Transducer.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Transducer.dna new file mode 100644 index 0000000..828055b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Buffered Transducer.dna @@ -0,0 +1,21 @@ +directive duration 30000.0 points 1000 +directive plot sum(<_ tx^ x>); sum(<_ ty^ y>); [tB^ B]:{tx^}:[x ta^]:[a ty^]:[b tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind + +def BTr(M,N, tx,x, ty,y) = +new ta@bind,unbind new a new b new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +( BTr(Buff,1, tx,x, ty,y) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/CRN.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/CRN.crn new file mode 100644 index 0000000..2b8bd43 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/CRN.crn @@ -0,0 +1,52 @@ +directive sample 0.0,250000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ cat = 0.0008 + ; deg = 0.0008 + ; ann = 0.001 + ; x0 = 4.0 + ; s = 1.0 ] + +event "" 1.0 @ 200000.0 | +event "" 2.0 @ 150000.0 | +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{deg} | +"" ->{deg} | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{cat} "" + "" | +"" ->{deg} | +"" ->{deg} | +"" + "" ->{ann} | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} | +"" + "" ->{(1.0 + ann)} | +"" + "" ->{ann} | +"" + "" ->{ann} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/CRN.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/CRN.dna new file mode 100644 index 0000000..a719121 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/CRN.dna @@ -0,0 +1,150 @@ +(*------------------ CRN implementation --------------------*) + +(*------------------ Settings ------------------------------*) +directive compilation infinite +directive simulation deterministicstiff +(* PI Controller settings *) +directive duration 250000.0 points 1000 +directive plot + sub (; ); (* R - R' *) + sub (; ); (* V - V' *) + sub (; ); (* Y - Y' *) + sub (; ) + +directive event 2*x0 @ 50000.0 +directive event 2*x0 @ 100000.0 +directive event 2.0 @ 150000.0 +directive event 1.0 @ 200000.0 + +(* Circuit component settings (no events) +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() +*) +directive parameters[ + cat = 0.0008; + deg = 0.0008; + ann = 0.001; + x0 = 4.0; + s = 1.0 +] + +(* Plotting *) +def R() = (* Signal(r) *) +def R'() = (* Signal(r') *) +def E() = (* Signal(e) *) +def E'() = (* Signal(e') *) +def V() = (* Signal(v) *) +def V'() = (* Signal(v') *) +def Y() = (* Signal(y) *) +def Y'() = (* Signal(y') *) +def X() = (* Signal(x) *) +def X'() = (* Signal(x') *) +def Load() = +def Load'() = + +def Signal(x) = ( ) + +(*------------------ Basic Reactions -----------------------*) +def Degradation(k,x) = ( rxn Signal(x) ->{deg/k} ) +def Degradation2(k,x,x') = +( Degradation(k,x) +| Degradation(k,x') +) +def Catalysis(k,x,y) = rxn Signal(x) ->{cat*k} Signal(x) + Signal(y) +def Catalysis2(k,x,x',y,y') = +( Catalysis(k,x,y) +| Catalysis(k,x',y') +) +def Annihilation(x,x') = ( rxn Signal(x) + Signal(x') ->{ann} ) + +(*------------------ Blocks -------------------------------*) +def Integration(k,x,x',y,y') = Catalysis2(k,x,x',y,y') +def Gain(k,kD,x,x',y,y') = +( Catalysis2(k,x,x',y,y') +| Degradation2(kD,y,y') +) +def Summation(k1,k2,kD,x1,x1',x2,x2',y,y') = +( Catalysis2(k1,x1,x1',y,y') +| Catalysis2(k2,x2,x2',y,y') +| Degradation2(kD,y,y') +) +def SummationInv(k1,k2,kD,x1,x1',x2,x2',y,y') = + Summation(k1,k2,kD,x1,x1',x2',x2,y,y') + +def PI(kP,kI,r,r',y,y',v,v') = +( SummationInv(1.0,1.0,1.0,r,r',y,y',e,e') +| Integration(kI,e,e',x,x') +| Summation(kP,1.0,1.0,e,e',x,x',v,v') +| Annihilation(x,x') +) +def Plant(v, v', y, y') = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal(v') ->{0.2} Signal(v') + Signal(y') +| (rxn Signal(y) ->{0.1}) +| (rxn Signal(y')->{0.1}) +| (rxn Signal(y') + Signal(y) ->{1.0} ) +| rxn Load() + Signal(y) ->{0.01} Load() +| rxn Load'() + Signal(y') ->{0.01} Load'() +| (rxn Load() + Load'() ->{1.0} ) +) +def Plottables() = +( 0 * R() +| 0 * R'() +| 0 * V() +| 0 * V'() +| 0 * Y() +| 0 * Y'() +| 0 * Load() +| 0 * Load'() +) + +(*------------------ Full system ----------------------------*) +def System() = +( Plottables() +| x0 * R() +| PI(1.0,1.0,r,r',y,y',v,v') +| Plant(v,v',y,y') +| Annihilation(r,r') +| Annihilation(y,y') +| Annihilation(v,v') +| Annihilation(e,e') +) + +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x,x') +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,x',y,y') +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,x',e,e',v,v') +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,y',r,r',e,e') +| Annihilation(e,e') +) + +(*------------------ Run -------------------------------------*) +System() +(* +TestAnnihilation() +TestCatalysis() +TestDegradation() +System() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic Directives.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic Directives.crn new file mode 100644 index 0000000..2ea6dc5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic Directives.crn @@ -0,0 +1,17 @@ +directive sample 0.0,7000.0 1000 +directive plot "<2 3^ 4>"; "<4 5^>"; "<1 2>"; "<6 3^ 4>"; "<1>[2]:<6>[3^ 4]{5^*}" +directive scale 500.0 + +init "<2 3^ 4>" 13.0 | +init "<4 5^>" 10.0 | +init "<1>[2]:<6>[3^ 4]{5^*}" 10.0 | +init "<1>[2]:<6>[3^ 4]:<4>[5^]" 0.0 | +init "<1>[2]{3^*}:[4 5^]" 0.0 | +init "[2 3^ 4]:<4>[5^]" 0.0 | +init "[2 3^ 4]{5^*}" 0.0 | +init "<1 2>" 0.0 | +init "<6 3^ 4>" 0.0 | +"<1>[2]:<6>[3^ 4]{5^*}" + "<4 5^>" <->{0.00065}{0.004} "<1>[2]:<6>[3^ 4]:<4>[5^]" | +"<1>[2]{3^*}:[4 5^]" + "<2 3^ 4>" ->{0.00042} "[2 3^ 4]:<4>[5^]" + "<1 2>" | +"[2 3^ 4]:<4>[5^]" <->{0.004}{0.00065} "[2 3^ 4]{5^*}" + "<4 5^>" | +"<1>[2]:<6>[3^ 4]:<4>[5^]" <->{0.04}{0.00042} "<1>[2]{3^*}:[4 5^]" + "<6 3^ 4>" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic Directives.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic Directives.dna new file mode 100644 index 0000000..e9b6943 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic Directives.dna @@ -0,0 +1,16 @@ +(* A simple catalytic circuit based on Zhang (Science 2007), demonstrating each directive. *) +directive duration 7000.0 points 1000 +directive leak 1.0E-9 (* default leakage rate /nM/s *) +directive tau 0.1126 (* default merged rate /s *) +directive migrate 8000.0 (* default nucleotide migration rate /s *) +directive lengths 6 20 (* default toehold and normal domain lengths *) +directive tolerance 1.0E-6 (* default ODE tolerance for deterministic simulator *) +directive plot <2 3^ 4>; <4 5^>; <1 2>; <6 3^ 4>; +<1>[2]:<6>[3^ 4]{5^*} (* plot a subset of gates and strands *) +directive scale 500.0 (* multiply concentrations, divide binding and leak rates *) +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic.crn new file mode 100644 index 0000000..0514527 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic.crn @@ -0,0 +1,16 @@ +directive sample 0.0,7000.0 1000 +directive scale 500.0 + +init "<2 3^ 4>" 13.0 | +init "<4 5^>" 10.0 | +init "<1>[2]:<6>[3^ 4]{5^*}" 10.0 | +init "<1>[2]:<6>[3^ 4]:<4>[5^]" 0.0 | +init "<1>[2]{3^*}:[4 5^]" 0.0 | +init "[2 3^ 4]:<4>[5^]" 0.0 | +init "[2 3^ 4]{5^*}" 0.0 | +init "<1 2>" 0.0 | +init "<6 3^ 4>" 0.0 | +"<1>[2]:<6>[3^ 4]{5^*}" + "<4 5^>" <->{0.00065}{0.004} "<1>[2]:<6>[3^ 4]:<4>[5^]" | +"<1>[2]{3^*}:[4 5^]" + "<2 3^ 4>" ->{0.00042} "[2 3^ 4]:<4>[5^]" + "<1 2>" | +"[2 3^ 4]:<4>[5^]" <->{0.004}{0.00065} "[2 3^ 4]{5^*}" + "<4 5^>" | +"<1>[2]:<6>[3^ 4]:<4>[5^]" <->{0.04}{0.00042} "<1>[2]{3^*}:[4 5^]" + "<6 3^ 4>" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic.dna new file mode 100644 index 0000000..4fd67dc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Catalytic.dna @@ -0,0 +1,9 @@ +(* A simple catalytic circuit based on Zhang (Science 2007).*) +directive duration 7000.0 points 1000 +directive scale 500.0 +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Modules.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Modules.crn new file mode 100644 index 0000000..f4414fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Modules.crn @@ -0,0 +1,190 @@ +directive sample 0.0,5000.0 200 +directive plot ""; ""; "" +directive simulation deterministic +directive parameters + [ ka, (1E-05, 0.002), 0.0003, log, random + ; kq, (1E-05, 0.002), 0.0003, log, random + ; kr, (1E-05, 0.002), 0.0003, log, random + ; kb, (1E-05, 0.002), 0.0003, log, random + ; kc, (1E-05, 0.002), 0.0003, log, random + ; ua,(1.0e-4,2.0e+1),0.1,log,fixed + ; ub,(1.0e-4,2.0e+1),0.1,log,fixed + ; ur,(1.0e-4,2.0e+1),0.1,log,fixed + ; uq,(1.0e-4,2.0e+1),0.1,log,fixed + ; uc,(1.0e-4,2.0e+1),0.1,log,fixed + ; kt, (1E-05, 0.002), 0.0003, log, random + ; ku1, (1E-05, 0.002), 0.0003, log, random + ; ku2, (1E-05, 0.002), 0.0003, log, random + ; ku3, (1E-05, 0.002), 0.0003, log, random + ; ut,(1.0e-4,2.0e+1),0.1,log,fixed + ; uu1,(1.0e-4,2.0e+1),0.1,log,fixed + ; uu2,(1.0e-4,2.0e+1),0.1,log,fixed + ; uu3,(1.0e-4,2.0e+1),0.1,log,fixed + ; X = 50.0 + ; NG = 75.0 + ; NH = 100.0 + ; NR = 150.0 + ; Xv = 40.0 + ; NGv = 120.0 + ; NHv = 120.0 + ; NRv = 120.0 + ; Xh = 10.0 + ; NGh = 15.0 + ; NHh = 20.0 + ; NRh = 30.0 + ; Xi = 10.0 + ; NGi = 30.0 + ; NHi = 30.0 + ; NRi = 30.0 + ; NMi = 100.0 + ; Xr = 1.0 + ; NRr = 3.0 + ; Xm = 40.0 + ; NGm = 80.0 + ; NHm = 80.0 + ; NRm = 120.0 + ; leakXY2B_J,(0.0,0.1),0.01,real,fixed + ; badXY2B_X,(0.0,0.3),0.01,real,fixed + ; leakXY2B_F,(0.0,0.1),0.01,real,fixed + ; badXY2B_Y,(0.0,0.3),0.01,real,fixed + ; leakBX2X_J,(0.0,0.1),0.01,real,fixed + ; badBX2X_B,(0.0,0.3),0.01,real,fixed + ; leakBX2X_F,(0.0,0.1),0.01,real,fixed + ; badBX2X_X,(0.0,0.3),0.01,real,fixed + ; leakBY2Y_J,(0.0,0.1),0.01,real,fixed + ; badBY2Y_B,(0.0,0.3),0.01,real,fixed + ; leakBY2Y_F,(0.0,0.1),0.01,real,fixed + ; badBY2Y_Y,(0.0,0.3),0.01,real,fixed + ; leakJoinBX_B,(0.0,0.1),0.01,real,fixed + ; badJoinBX_B,(0.0,0.3),0.01,real,fixed + ; leakJoinBX_X,(0.0,0.1),0.01,real,fixed + ; badJoinBX_X,(0.0,0.3),0.01,real,fixed + ; leakJoinBX_H,(0.0,0.1),0.01,real,fixed + ; badJoinBX_H,(0.0,0.3),0.01,real,fixed + ; leakJoinBY_B,(0.0,0.1),0.01,real,fixed + ; badJoinBY_B,(0.0,0.3),0.01,real,fixed + ; leakJoinBY_Y,(0.0,0.1),0.01,real,fixed + ; badJoinBY_Y,(0.0,0.3),0.01,real,fixed + ; leakJoinBY_H,(0.0,0.1),0.01,real,fixed + ; badJoinBY_H,(0.0,0.3),0.01,real,fixed + ; leakJoinXY_X,(0.0,0.1),0.01,real,fixed + ; badJoinXY_X,(0.0,0.3),0.01,real,fixed + ; leakJoinXY_Y,(0.0,0.1),0.01,real,fixed + ; badJoinXY_Y,(0.0,0.3),0.01,real,fixed + ; leakJoinXY_H,(0.0,0.1),0.01,real,fixed + ; badJoinXY_H,(0.0,0.3),0.01,real,fixed + ; leakFork2B_R,(0.0,0.1),0.01,real,fixed + ; badFork2B_R,(0.0,0.3),0.01,real,fixed + ; leakFork2B_H1,(0.0,0.1),0.01,real,fixed + ; badFork2B_H1,(0.0,0.3),0.01,real,fixed + ; leakFork2B_H2,(0.0,0.1),0.01,real,fixed + ; badFork2B_H2,(0.0,0.3),0.01,real,fixed + ; leakFork2X_R,(0.0,0.1),0.01,real,fixed + ; badFork2X_R,(0.0,0.3),0.01,real,fixed + ; leakFork2X_H1,(0.0,0.1),0.01,real,fixed + ; badFork2X_H1,(0.0,0.3),0.01,real,fixed + ; leakFork2X_H2,(0.0,0.1),0.01,real,fixed + ; badFork2X_H2,(0.0,0.3),0.01,real,fixed + ; leakFork2Y_R,(0.0,0.1),0.01,real,fixed + ; badFork2Y_R,(0.0,0.3),0.01,real,fixed + ; leakFork2Y_H1,(0.0,0.1),0.01,real,fixed + ; badFork2Y_H1,(0.0,0.3),0.01,real,fixed + ; leakFork2Y_H2,(0.0,0.1),0.01,real,fixed + ; badFork2Y_H2,(0.0,0.3),0.01,real,fixed +] + +init "" ((Xm * 0.7) * (1.0 - badXY2B_Y)) | +init "" 0.0 | +init "" (4.0 * NHm) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" (NGm * (1.0 - leakXY2B_F)) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" (NGm * (1.0 - leakBX2X_F)) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" ((NGm * 1.2) * (1.0 - leakBY2Y_F)) | +init "" NHm | +init "" 0.0 | +init "" NHm | +init "" 0.0 | +init "" (NHm * 1.2) | +init "" 0.0 | +init "" ((Xm * 0.3) * (1.0 - badXY2B_X)) | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[x t^]:[y t^]:[rxy u1^]" (NGm * (1.0 - leakXY2B_J)) | +init "[t^ x]{t^*}:[y t^]:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]{t^*}:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" 0.0 | +init "" (NGm * leakXY2B_J) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" 0.0 | +init "{t^*}[b t^]:[x t^]:[rbx u1^]" (NGm * (1.0 - leakBX2X_J)) | +init "{t^*}[b t^]:[y t^]:[rby u1^]" ((NGm * 1.2) * (1.0 - leakBY2Y_J)) | +init "" (NGm * leakXY2B_F) | +init "[t^ b]{t^*}:[x t^]:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]{t^*}:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" 0.0 | +init "" (NGm * leakBX2X_J) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" 0.0 | +init "[t^ b]{t^*}:[y t^]:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]{t^*}:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]:[t^ rby]{u1^*}" 0.0 | +init "" ((NGm * 1.2) * leakBY2Y_J) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" 0.0 | +init "" (NGm * leakBX2X_F) | +init "" ((NGm * 1.2) * leakBY2Y_F) | +init "" NHm | +init "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" 0.0 | +init "" NHm | +init "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" 0.0 | +init "" (NHm * 1.2) | +init "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" 0.0 | +init "" NHm | +init "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NHm | +init "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" (NHm * 1.2) | +init "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "" NHm | +init "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NHm | +init "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" (NHm * 1.2) | +init "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "{t^*}[b]" NRm | +init "[t^ b]" 0.0 | +init "" 0.0 | +init "{u3^*}[px]" NRm | +init "[u3^ px]" 0.0 | +init "" 0.0 | +init "{u3^*}[py]" NRm | +init "[u3^ py]" 0.0 | +init "" 0.0 | +"{t^*}[x t^]:[y t^]:[rxy u1^]" + "" <->{kt}{kt} "[t^ x]{t^*}:[y t^]:[rxy u1^]" + "" | +"[t^ x]{t^*}:[y t^]:[rxy u1^]" + "" <->{kt}{kt} "[t^ x]:[t^ y]{t^*}:[rxy u1^]" + "" | +"[t^ x]:[t^ y]{t^*}:[rxy u1^]" + "" <->{kt}{ku1} "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" + "" | +"[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" + "" <->{ku1}{ku2} "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" + "" | +"{t^*}[b t^]:[x t^]:[rbx u1^]" + "" <->{kt}{kt} "[t^ b]{t^*}:[x t^]:[rbx u1^]" + "" | +"[t^ b]{t^*}:[x t^]:[rbx u1^]" + "" <->{kt}{kt} "[t^ b]:[t^ x]{t^*}:[rbx u1^]" + "" | +"[t^ b]:[t^ x]{t^*}:[rbx u1^]" + "" <->{kt}{ku1} "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" + "" | +"[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" + "" <->{ku1}{ku2} "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" + "" | +"{t^*}[b t^]:[y t^]:[rby u1^]" + "" <->{kt}{kt} "[t^ b]{t^*}:[y t^]:[rby u1^]" + "" | +"[t^ b]{t^*}:[y t^]:[rby u1^]" + "" <->{kt}{kt} "[t^ b]:[t^ y]{t^*}:[rby u1^]" + "" | +"[t^ b]:[t^ y]{t^*}:[rby u1^]" + "" <->{kt}{ku1} "[t^ b]:[t^ y]:[t^ rby]{u1^*}" + "" | +"[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" + "" <->{ku1}{ku2} "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" + "" | +"[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" + "" <->{ku2}{kt} "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" + "" | +"[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" + "" <->{ku2}{kt} "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" + "" | +"[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" + "" <->{ku2}{kt} "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" + "" | +"[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" + "" <->{kt}{ku3} "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" + "" <->{kt}{ku3} "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" + "" | +"[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" + "" <->{kt}{ku3} "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" + "" | +"[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" ->{kt} "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" + "" <->{ku3}{kt} "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" ->{kt} "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" | +"[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" + "" <->{ku3}{kt} "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" | +"[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" + "" <->{ku3}{kt} "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" | +"[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" ->{kt} "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" | +"{t^*}[b]" + "" ->{kt} "[t^ b]" + "" | +"{u3^*}[px]" + "" ->{ku3} "[u3^ px]" + "" | +"{u3^*}[py]" + "" ->{ku3} "[u3^ py]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Modules.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Modules.dna new file mode 100644 index 0000000..a8aa074 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Modules.dna @@ -0,0 +1,195 @@ +directive sample 5000.0 200 +directive compilation infinite +directive simulation deterministic +directive declare +directive time s +directive concentration nM +directive plot ; ; + +directive parameters [ +(* Rates *) +ka,(1.0e-5,2.0e-3),0.0003,log,random; +kq,(1.0e-5,2.0e-3),0.0003,log,random; +kr,(1.0e-5,2.0e-3),0.0003,log,random; +kb,(1.0e-5,2.0e-3),0.0003,log,random; +kc,(1.0e-5,2.0e-3),0.0003,log,random; +ua,(1.0e-4,2.0e+1),0.1,log,fixed; +ub,(1.0e-4,2.0e+1),0.1,log,fixed; +ur,(1.0e-4,2.0e+1),0.1,log,fixed; +uq,(1.0e-4,2.0e+1),0.1,log,fixed; +uc,(1.0e-4,2.0e+1),0.1,log,fixed; +kt,(1.0e-5,2.0e-3),0.0003,log,random; +ku1,(1.0e-5,2.0e-3),0.0003,log,random; +ku2,(1.0e-5,2.0e-3),0.0003,log,random; +ku3,(1.0e-5,2.0e-3),0.0003,log,random; +ut,(1.0e-4,2.0e+1),0.1,log,fixed; +uu1,(1.0e-4,2.0e+1),0.1,log,fixed; +uu2,(1.0e-4,2.0e+1),0.1,log,fixed; +uu3,(1.0e-4,2.0e+1),0.1,log,fixed; + +(* Concentrations *) +X = 50.0; NG = 75.0; NH = 100.0; NR = 150.0; (* Default *) +Xv = 40.0; NGv = 120.0; NHv = 120.0; NRv = 120.0; (* Reversibles *) +Xh = 10.0; NGh = 15.0; NHh = 20.0; NRh = 30.0; (* Halves *) +Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; (* Intermediates *) +Xr = 1.0; NRr = 3.0; (* Reporters *) +Xm = 40.0; NGm = 80.0; NHm = 80.0; NRm = 120.0; (* Consensus *) + +(* Leak parameters *) +leakXY2B_J,(0.0,0.1),0.01,real,fixed; badXY2B_X,(0.0,0.3),0.01,real,fixed; +leakXY2B_F,(0.0,0.1),0.01,real,fixed; badXY2B_Y,(0.0,0.3),0.01,real,fixed; +leakBX2X_J,(0.0,0.1),0.01,real,fixed; badBX2X_B,(0.0,0.3),0.01,real,fixed; +leakBX2X_F,(0.0,0.1),0.01,real,fixed; badBX2X_X,(0.0,0.3),0.01,real,fixed; +leakBY2Y_J,(0.0,0.1),0.01,real,fixed; badBY2Y_B,(0.0,0.3),0.01,real,fixed; +leakBY2Y_F,(0.0,0.1),0.01,real,fixed; badBY2Y_Y,(0.0,0.3),0.01,real,fixed; + +leakJoinBX_B,(0.0,0.1),0.01,real,fixed; badJoinBX_B,(0.0,0.3),0.01,real,fixed; +leakJoinBX_X,(0.0,0.1),0.01,real,fixed; badJoinBX_X,(0.0,0.3),0.01,real,fixed; +leakJoinBX_H,(0.0,0.1),0.01,real,fixed; badJoinBX_H,(0.0,0.3),0.01,real,fixed; +leakJoinBY_B,(0.0,0.1),0.01,real,fixed; badJoinBY_B,(0.0,0.3),0.01,real,fixed; +leakJoinBY_Y,(0.0,0.1),0.01,real,fixed; badJoinBY_Y,(0.0,0.3),0.01,real,fixed; +leakJoinBY_H,(0.0,0.1),0.01,real,fixed; badJoinBY_H,(0.0,0.3),0.01,real,fixed; +leakJoinXY_X,(0.0,0.1),0.01,real,fixed; badJoinXY_X,(0.0,0.3),0.01,real,fixed; +leakJoinXY_Y,(0.0,0.1),0.01,real,fixed; badJoinXY_Y,(0.0,0.3),0.01,real,fixed; +leakJoinXY_H,(0.0,0.1),0.01,real,fixed; badJoinXY_H,(0.0,0.3),0.01,real,fixed; + +leakFork2B_R,(0.0,0.1),0.01,real,fixed; badFork2B_R,(0.0,0.3),0.01,real,fixed; +leakFork2B_H1,(0.0,0.1),0.01,real,fixed; badFork2B_H1,(0.0,0.3),0.01,real,fixed; +leakFork2B_H2,(0.0,0.1),0.01,real,fixed; badFork2B_H2,(0.0,0.3),0.01,real,fixed; +leakFork2X_R,(0.0,0.1),0.01,real,fixed; badFork2X_R,(0.0,0.3),0.01,real,fixed; +leakFork2X_H1,(0.0,0.1),0.01,real,fixed; badFork2X_H1,(0.0,0.3),0.01,real,fixed; +leakFork2X_H2,(0.0,0.1),0.01,real,fixed; badFork2X_H2,(0.0,0.3),0.01,real,fixed; +leakFork2Y_R,(0.0,0.1),0.01,real,fixed; badFork2Y_R,(0.0,0.3),0.01,real,fixed; +leakFork2Y_H1,(0.0,0.1),0.01,real,fixed; badFork2Y_H1,(0.0,0.3),0.01,real,fixed; +leakFork2Y_H2,(0.0,0.1),0.01,real,fixed; badFork2Y_H2,(0.0,0.3),0.01,real,fixed +] + +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tc,c) = + +def Translator(r,tq) = +def InputR(a,tb) = +def OutputR(c,tr) = +def CatalystR(b,tr) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Rep_Fork(tc,c) = {tc^*}[c] +def Rep_Join(r,tq) = [r]{tq^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Fork_C(i,tc,c,tr,r,tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i,tc,c,tb,b,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} + +(* Module definitions *) +def Join(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) +) +def Fork(N,NH1,NH2,NG,Leak,i,tc,c,tr,r,tq) = +( NG*(1.0-Leak) * Fork_C(i,tc,c,tr,r,tq) +| NG*Leak * Output(tc,c) +| N * Translator(r,tq) +| NH1 * OutputR(c,tr) +| NH2 * End(i,tc) +| 0 * Helper(tr,r) +) +def Fork2(N,NH1,NH2,NH3,NG,Leak,i,tc,c,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Fork_BC(i,tc,c,tb,b,tr,r,tq) +| NG*Leak * Output(tc,c) +| N * Translator(r,tq) +| NH1 * CatalystR(b,tr) +| NH2 * OutputR(c,tb) +| NH3 * End(i,tc) +| 0 * Helper(tr,r) +| 0 * Catalyst(tb,b) +) +def Fork3(N,NH1,NH2,NH3,NH4,NG,Leak,i,td,d,tc,c,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) +| N * Translator(r,tq) +| NH1 * Output1R(b,tr) +| NH2 * Output2R(c,tb) +| NH3 * Output3R(d,tc) +| NH4 * End(i,td) +| 0 * Helper(tr,r) +) +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * Rep_Join(r,tq) +| 0 * Signal_Join(fl,r) +) +def RepFork(N,NR,tc,c) = +( N * Output(tc,c) +| NR * Rep_Fork(tc,c) +| 0 * Signal_Fork(c,fl) +) + +(* DNA domains *) +dom t = {seq = CTGATC; bind=kt; unbind=ut} +dom u1 = {seq = CTTCAG; bind=ku1; unbind=ut} +dom u2 = {seq = CCATAC; bind=ku2; unbind=ut} +dom u3 = {seq = ATACCC; bind=ku3; unbind=ut} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} + +(* Components *) +def RepJoinBX(NR) = RepJoin(0.0,NR,rbx,u1) +def RepJoinBY(NR) = RepJoin(0.0,NR,rby,u1) +def RepJoinXY(NR) = RepJoin(0.0,NR,rxy,u1) +def JoinBX(NB,NX,NH,NG,Leak) = Join(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = Join(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = Join(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def Fork2B(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) | RepFork(NG*Leak,NR,u3,pb) ) +def ForkXY2B(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) | RepFork(NG*Leak,NR,t,b) ) +def Fork2X(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1) | RepFork(NG*Leak,NR,u3,px) ) +def Fork2Y(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1) | RepFork(NG*Leak,NR,u3,py) ) + +(* Circuits that have been measured *) +def JoinBX_AddB(N) = ( JoinBX(N*Xi*(1.0-badJoinBX_B),NMi,NMi,NGi,leakJoinBX_B) | RepJoinBX(NRi) ) +def JoinBX_AddX(N) = ( JoinBX(NMi,N*Xi*(1.0-badJoinBX_X),NMi,NGi,leakJoinBX_X) | RepJoinBX(NRi) ) +def JoinBX_AddH(N) = ( JoinBX(NMi,NMi,N*Xi*(1.0-badJoinBX_H),NGi,leakJoinBX_H) | RepJoinBX(NRi) ) +def JoinBY_AddB(N) = ( JoinBY(N*Xi*(1.0-badJoinBY_B),NMi,NMi,NGi,leakJoinBY_B) | RepJoinBY(NRi) ) +def JoinBY_AddY(N) = ( JoinBY(NMi,N*Xi*(1.0-badJoinBY_Y),NMi,NGi,leakJoinBY_Y) | RepJoinBY(NRi) ) +def JoinBY_AddH(N) = ( JoinBY(NMi,NMi,N*Xi*(1.0-badJoinBY_H),NGi,leakJoinBY_H) | RepJoinBY(NRi) ) +def JoinXY_AddX(N) = ( JoinXY(N*Xi*(1.0-badJoinXY_X),NMi,NMi,NGi,leakJoinXY_X) | RepJoinXY(NRi) ) +def JoinXY_AddY(N) = ( JoinXY(NMi,N*Xi*(1.0-badJoinXY_Y),NMi,NGi,leakJoinXY_Y) | RepJoinXY(NRi) ) +def JoinXY_AddH(N) = ( JoinXY(NMi,NMi,N*Xi*(1.0-badJoinXY_H),NGi,leakJoinXY_H) | RepJoinXY(NRi) ) +def Fork2B_AddR(N) = ( Fork2B(N*Xi*(1.0-badFork2B_R ),NMi,NMi,NMi,NMi,NGi,leakFork2B_R,NRi) ) +def Fork2B_AddH1(N) = ( Fork2B(NMi,N*Xi*(1.0-badFork2B_H1),NMi,NMi,NMi,NGi,leakFork2B_H1,NRi) ) +def Fork2B_AddH2(N) = ( Fork2B(NMi,NMi,N*Xi*(1.0-badFork2B_H2),NMi,NMi,NGi,leakFork2B_H2,NRi) ) +def Fork2X_AddR(N) = ( Fork2X(N*Xi*(1.0-badFork2X_R ),NMi,NMi,NMi,NMi,NGi,leakFork2X_R,NRi) ) +def Fork2X_AddH1(N) = ( Fork2X(NMi,N*Xi*(1.0-badFork2X_H1),NMi,NMi,NMi,NGi,leakFork2X_H1,NRi) ) +def Fork2X_AddH2(N) = ( Fork2X(NMi,NMi,N*Xi*(1.0-badFork2X_H2),NMi,NMi,NGi,leakFork2X_H2,NRi) ) +def Fork2Y_AddR(N) = ( Fork2Y(N*Xi*(1.0-badFork2Y_R ),NMi,NMi,NMi,NMi,NGi,leakFork2Y_R,NRi) ) +def Fork2Y_AddH1(N) = ( Fork2Y(NMi,N*Xi*(1.0-badFork2Y_H1),NMi,NMi,NMi,NGi,leakFork2Y_H1,NRi) ) +def Fork2Y_AddH2(N) = ( Fork2Y(NMi,NMi,N*Xi*(1.0-badFork2Y_H2),NMi,NMi,NGi,leakFork2Y_H2,NRi) ) +def XY2B(Nx,Ny,X,NH,NG,NR) = ( JoinXY(X*Nx*(1.0-badXY2B_X),X*Ny*(1.0-badXY2B_Y),NH,NG,leakXY2B_J) | ForkXY2B(0.0,NH,NH,NH,NH,NG,leakXY2B_F,NR) ) +def BX2X(N,X,NH,NG,NR) = ( JoinBX(X*(1.0-badBX2X_B),X*N*(1.0-badBX2X_B),NH,NG,leakBX2X_J) | Fork2X(0.0,NH,NH,NH,NH,NG,leakBX2X_F,NR) ) +def BY2Y(N,X,NH,NG,NR) = ( JoinBY(X*(1.0-badBY2Y_B),X*N*(1.0-badBY2Y_B),NH,NG,leakBY2Y_J) | Fork2Y(0.0,NH,NH,NH,NH,NG,leakBY2Y_F,NR) ) +def AM(Nx,Ny) = ( XY2B(Nx,Ny,Xm,NHm,NGm,NRm) | BX2X(0.0,0.0,NHm,NGm,NRm) | BY2Y(0.0,0.0,NHm*1.2,NGm*1.2,NRm) | NHm * 0.8 * End(ig, t) (* *) ) + +(* Specify circuit regime *) +def N = 0.4 +def Nx = 0.3 +def Ny = 0.7 +AM(Nx,Ny) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Parameterized.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Parameterized.crn new file mode 100644 index 0000000..a33aca6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Parameterized.crn @@ -0,0 +1,121 @@ +directive sample 0.0,(15.0 * 3600.0) 500 +directive plot ""; ""; "" +directive simulation deterministic +directive parameters + [ kF1_YY = 4.3095E-06 + ; kJ1 = 7.9236E-06 + ; kJ1r = 8.2974E-05 + ; kJ2 = 0.00012138 + ; kJ2r = 1.0223E-06 + ; kJ3 = 0.0005016 + ; kJ3r = 1.0123E-06 + ; kF1 = 1.2721E-05 + ; kF1r = 0.00023276 + ; kF2 = 5.653E-05 + ; kF2r = 0.00012561 + ; kF3 = 7.4418E-05 + ; kF3r = 1.0293E-06 + ; kF4 = 1.3428E-06 + ; kF5 = 0.00097709 + ; X = 80.0 + ; NG = 160.0 + ; NH = 160.0 + ; Nx = 0.7 + ; leakXY2B_J = 0.0172 + ; leakXY2B_F = 0.009 + ; leakBX2X_J = 0.0114 + ; leakBX2X_F = 2.2677E-06 + ; leakBY2Y_J = 0.0105 + ; leakBY2Y_F = 0.0154 + ; badXY2B_X = 3.5686E-05 + ; badXY2B_Y = 7.6834E-05 + ; badBX2X_B = 0.1504 + ; badBX2X_X = 0.1195 + ; badBY2Y_B = 1.0204E-05 + ; badBY2Y_Y = 0.25 ] +directive sweep mysweep = + { Nx = [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9] } + +init "" ((X * (1.0 - Nx)) * (1.0 - badXY2B_Y)) | +init "" (4.0 * NH) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" (NG * (1.0 - leakXY2B_F)) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" (NG * (1.0 - leakBX2X_F)) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" ((NG * 1.2) * (1.0 - leakBY2Y_F)) | +init "" NH | +init "" NH | +init "" (NH * 1.2) | +init "" ((X * Nx) * (1.0 - badXY2B_X)) | +init "" 0.0 | +init "{t^*}[x t^]:[y t^]:[rxy u1^]" (NG * (1.0 - leakXY2B_J)) | +init "[t^ x]{t^*}:[y t^]:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]{t^*}:[rxy u1^]" 0.0 | +init "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" 0.0 | +init "" (NG * leakXY2B_J) | +init "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b t^]:[x t^]:[rbx u1^]" (NG * (1.0 - leakBX2X_J)) | +init "[t^ b]{t^*}:[x t^]:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]{t^*}:[rbx u1^]" 0.0 | +init "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" 0.0 | +init "" (NG * leakBX2X_J) | +init "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b t^]:[y t^]:[rby u1^]" ((NG * 1.2) * (1.0 - leakBY2Y_J)) | +init "[t^ b]{t^*}:[y t^]:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]{t^*}:[rby u1^]" 0.0 | +init "[t^ b]:[t^ y]:[t^ rby]{u1^*}" 0.0 | +init "" ((NG * 1.2) * leakBY2Y_J) | +init "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" 0.0 | +init "" (NH * 1.2) | +init "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" 0.0 | +init "" NH | +init "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" 0.0 | +init "" (NH * 1.2) | +init "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" 0.0 | +init "" 0.0 | +init "" NH | +init "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" 0.0 | +init "" (NH * 1.2) | +init "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +init "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" 0.0 | +"" + "[t^ x]:[t^ y]{t^*}:[rxy u1^]" <->{kJ3}{kJ3r} "" + "[t^ x]:[t^ y]:[t^ rxy]{u1^*}" | +"" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]:[u2^ rxy]{u1^*}" <->{kF1}{kF1r} "" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" | +"" + "[t^ x]{t^*}:[y t^]:[rxy u1^]" <->{kJ2}{kJ2r} "" + "[t^ x]:[t^ y]{t^*}:[rxy u1^]" | +"" + "{t^*}[x t^]:[y t^]:[rxy u1^]" <->{kJ1}{kJ1r} "" + "[t^ x]{t^*}:[y t^]:[rxy u1^]" | +"" + "[t^ b]{t^*}:[x t^]:[rbx u1^]" <->{kJ2}{kJ2r} "" + "[t^ b]:[t^ x]{t^*}:[rbx u1^]" | +"" + "[t^ b]:[t^ x]{t^*}:[rbx u1^]" <->{kJ3}{kJ3r} "" + "[t^ b]:[t^ x]:[t^ rbx]{u1^*}" | +"" + "[ig]:[t^ x]:[u3^ px]:[t^ x]:[u2^ rbx]{u1^*}" <->{kF1}{kF1r} "" + "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" | +"" + "{t^*}[b t^]:[x t^]:[rbx u1^]" <->{kJ1}{kJ1r} "" + "[t^ b]{t^*}:[x t^]:[rbx u1^]" | +"" + "{t^*}[b t^]:[y t^]:[rby u1^]" <->{kJ1}{kJ1r} "" + "[t^ b]{t^*}:[y t^]:[rby u1^]" | +"" + "[t^ b]{t^*}:[y t^]:[rby u1^]" <->{kJ2}{kJ2r} "" + "[t^ b]:[t^ y]{t^*}:[rby u1^]" | +"" + "[t^ b]:[t^ y]{t^*}:[rby u1^]" <->{kJ3}{kJ3r} "" + "[t^ b]:[t^ y]:[t^ rby]{u1^*}" | +"" + "[ig]:[t^ y]:[u3^ py]:[t^ y]:[u2^ rby]{u1^*}" <->{kF1_YY}{kF1r} "" + "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" | +"" + "[ig]:[t^ b]:[u3^ pb]:[t^ b]{u2^*}:[rxy u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" | +"" + "[ig]:[t^ x]:[u3^ px]:[t^ x]{u2^*}:[rbx u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]:[u3^ py]:[t^ y]{u2^*}:[rby u1^]" <->{kF2}{kF2r} "" + "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" | +"" + "[ig]:[t^ b]:[u3^ pb]{t^*}:[b u2^]:[rxy u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" | +"" + "[ig]:[t^ x]:[u3^ px]{t^*}:[x u2^]:[rbx u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]:[u3^ py]{t^*}:[y u2^]:[rby u1^]" <->{kF3}{kF3r} "" + "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" | +"" + "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" ->{kF5} "[ig t^]:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" + "" | +"" + "[ig]:[t^ b]{u3^*}:[pb t^]:[b u2^]:[rxy u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[b u3^]:[pb t^]:[b u2^]:[rxy u1^]" | +"" + "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" ->{kF5} "[ig t^]:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" + "" | +"" + "[ig]:[t^ x]{u3^*}:[px t^]:[x u2^]:[rbx u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[x u3^]:[px t^]:[x u2^]:[rbx u1^]" | +"" + "[ig]:[t^ y]{u3^*}:[py t^]:[y u2^]:[rby u1^]" <->{kF4}{kF2r} "" + "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" | +"" + "[ig]{t^*}:[y u3^]:[py t^]:[y u2^]:[rby u1^]" ->{kF5} "[ig t^]:[y u3^]:[py t^]:[y u2^]:[rby u1^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Parameterized.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Parameterized.dna new file mode 100644 index 0000000..5ca5627 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Consensus Parameterized.dna @@ -0,0 +1,122 @@ +directive sample 15.0*3600.0 500 +directive compilation infinite +directive declare +directive simulation deterministic +directive plot ; ; + +directive parameters [ + (* Rates *) + kF1_YY = 4.3095e-06; + kJ1 = 7.9236e-06; + kJ1r = 8.2974e-05; + kJ2 = 1.2138e-04; + kJ2r = 1.0223e-06; + kJ3 = 5.0160e-04; + kJ3r = 1.0123e-06; + kF1 = 1.2721e-05; + kF1r = 2.3276e-04; + kF2 = 5.6530e-05; + kF2r = 1.2561e-04; + kF3 = 7.4418e-05; + kF3r = 1.0293e-06; + kF4 = 1.3428e-06; + kF5 = 9.7709e-04; + + (* Concentrations *) + X = 80.0; NG = 160.0; NH = 160.0; + + (* Initial conditions *) + Nx = 0.7; + + (* Leak parameters *) + leakXY2B_J = 0.0172; leakXY2B_F = 0.0090; + leakBX2X_J = 0.0114; leakBX2X_F = 2.2677e-06; + leakBY2Y_J = 0.0105; leakBY2Y_F = 0.0154; + badXY2B_X = 3.5686e-05; badXY2B_Y = 7.6834e-05; + badBX2X_B = 0.1504; badBX2X_X = 0.1195; + badBY2Y_B = 1.0204e-05; badBY2Y_Y = 0.2500 +] + +(* Sweep over different input values *) +directive sweep mysweep = { Nx = [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9] } + +new t@0.0,0.0 new u1@0.0,0.0 new u2@0.0,0.0 new u3@0.0,0.0 +new b new x new y new rbx new rby new rxy +new pb new px new py new ig +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = + +def Translator(r,tq) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Join(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def JoinAB(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| rxn + Join(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join1(ta,a,tb,b,tr,r,tq) +| rxn + Join1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join2(ta,a,tb,b,tr,r,tq) +| rxn + Join2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join3(ta,a,tb,b,tr,r,tq) +) +def ForkXYZ(N,NH1,NH2,NH3,NH4,NG,Leak,i,tz,z,ty,y,tx,x,tr,r,tq,k1) = +( NG*(1.0-Leak) * Fork(i,tz,z,ty,y,tx,x,tr,r,tq) +| N * Translator(r,tq) +| NH1 * Output1R(x,tr) +| NH2 * Output2R(y,tx) +| NH3 * Output3R(z,ty) +| NH4 * End(i,tz) +| rxn + Fork(i,tz,z,ty,y,tx,x,tr,r,tq) <->{k1,kF1r} + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF2,kF2r} + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF3,kF3r} + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF4,kF2r} + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) ->{kF5} Fork5(i,tz,z,ty,y,tx,x,tr,r,tq) + +) + +(* Components *) +def JoinBX(NB,NX,NH,NG,Leak) = JoinAB(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = JoinAB(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = JoinAB(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def ForkBB(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF1) +def ForkXX(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF1) +def ForkYY(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF1_YY) + +(* Circuits *) +def XY2B(Nx,Ny,X,NH,NG) = +( JoinXY(X*Nx*(1.0-badXY2B_X),X*Ny*(1.0-badXY2B_Y),NH,NG,leakXY2B_J) +| ForkBB(0.0,NH,NH,NH,NH,NG,leakXY2B_F) ) +def BX2X(N,X,NH,NG) = +( JoinBX(X*(1.0-badBX2X_B),X*N*(1.0-badBX2X_B),NH,NG,leakBX2X_J) +| ForkXX(0.0,NH,NH,NH,NH,NG,leakBX2X_F) ) +def BY2Y(N,X,NH,NG) = +( JoinBY(X*(1.0-badBY2Y_B),X*N*(1.0-badBY2Y_B),NH,NG,leakBY2Y_J) +| ForkYY(0.0,NH,NH,NH,NH,NG,leakBY2Y_F) ) +def AM() = +( XY2B(Nx,1.0-Nx,X,NH,NG) +| BX2X(0.0,0.0,NH,NG) +| BY2Y(0.0,0.0,NH*1.2,NG*1.2) +| NH * 0.8 * ) + +(* Specify circuit regime *) +def N = 0.4 +(*BX2X(N,X,NH,NG)*) +AM() diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Cross Catalytic.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Cross Catalytic.crn new file mode 100644 index 0000000..f74044f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Cross Catalytic.crn @@ -0,0 +1,56 @@ +directive plot ""; ""; "" + +init "" 10.0 | +init "" 10.0 | +init "[x^ y^ S7]:[S8^ S9a x^]{y^*}" 10.0 | +init "[x^ y^ S7]:[S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7]:[S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" 10.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" 0.0 | +init "" 5.0 | +init "[x^ y^ S7]:[S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c]{S3^*}:[S4a^ x^ y^]" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]{y^*}" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]:[y^]" 0.0 | +init "" 5.0 | +init "[x^ y^ S7]:[S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7]{S8^*}:[S9a x^ y^]" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]{y^*}" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]:[y^]" 0.0 | +init "[x^ y^ S7 S8^ S9a x^]:[y^]" 0.0 | +init "" 0.0 | +init "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" 0.0 | +init "[x^ y^ S2c S3^ S4a^ x^]:[y^]" 0.0 | +init "" 0.0 | +init "[S6 S3^]{S4a^*}" 10.0 | +init "[S6 S3^]:[S4a^]" 0.0 | +init "[S6 S3^ S4a^]" 0.0 | +init "" 0.0 | +"[x^ y^ S7]:[S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7]:[S8^ S9a x^]:[y^]" | +"[x^ y^ S7]:[S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7]:[S8^ S9a x^]:[y^]" | +"[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" | +"[x^ y^ S7]:[S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7]:[S8^ S9a x^]:[y^]" | +"[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c]{S3^*}:[S4a^ x^ y^]" + "" ->{0.00042} "[x^ y^ S2c S3^ S4a^ x^]:[y^]" + "" | +"[x^ y^ S2c S3^ S4a^ x^]:[y^]" <->{0.004}{0.00065} "[x^ y^ S2c S3^ S4a^ x^]{y^*}" + "" | +"[x^ y^ S2c S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c S3^ S4a^ x^]:[y^]" | +"[x^ y^ S7]:[S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7]:[S8^ S9a x^]:[y^]" | +"[x^ y^ S7]{S8^*}:[S9a x^ y^]" + "" ->{0.0005} "[x^ y^ S7 S8^ S9a x^]:[y^]" + "" | +"[x^ y^ S7 S8^ S9a x^]:[y^]" <->{0.004}{0.00065} "[x^ y^ S7 S8^ S9a x^]{y^*}" + "" | +"[x^ y^ S7 S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7 S8^ S9a x^]:[y^]" | +"[x^ y^ S7 S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7 S8^ S9a x^]:[y^]" | +"[x^ y^ S7 S8^ S9a x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S7 S8^ S9a x^]:[y^]" | +"[x^ y^ S7]:[S8^ S9a x^]:[y^]" <->{0.00019}{0.0005} "[x^ y^ S7]{S8^*}:[S9a x^ y^]" + "" | +"[x^ y^ S2c]:[S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c S3^ S4a^ x^]{y^*}" + "" <->{0.00065}{0.004} "[x^ y^ S2c S3^ S4a^ x^]:[y^]" | +"[x^ y^ S2c]:[S3^ S4a^ x^]:[y^]" <->{0.04}{0.00042} "[x^ y^ S2c]{S3^*}:[S4a^ x^ y^]" + "" | +"[S6 S3^]{S4a^*}" + "" ->{0.0003} "[S6 S3^ S4a^]" + "" | +"[S6 S3^]{S4a^*}" + "" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Cross Catalytic.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Cross Catalytic.dna new file mode 100644 index 0000000..6819dfd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Cross Catalytic.dna @@ -0,0 +1,31 @@ +(* Circuit which cross catalyzes between Substrate0 and Substrate1, from Fig S10 *) +directive plot catalyst0(); catalyst1(); + +dom S1 = { seq=CTTTCCTACA } +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} + +dom x = {seq=CCTACG} +dom y = {seq=TCTCCA; bind=6.5E-4; unbind = 4.0E-3} + +def Fuel0() = < x^ y^ S7 S8^ S9a x^> +def Substrate0() = [x^ y^ S7]:[S8^ S9a x^]{y^*} +def Fuel1() = +def Substrate1() = [x^ y^ S2c]:[S3^ S4a^ x^]{y^*} + +def catalyst0() = +def catalyst1() = + +def crosscatalytic(N,M) = + (N* Fuel0() | N* Substrate0() | + N* Fuel1() | N* Substrate1() | + M* catalyst0() | M*catalyst1()) + +def reporter(N) = N * [S6 S3^]{S4a^*} + +(crosscatalytic(10,5) | reporter(10) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/DnaToolbox.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/DnaToolbox.crn new file mode 100644 index 0000000..60a8dd2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/DnaToolbox.crn @@ -0,0 +1,149 @@ +directive sample 0.0,250000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; unbind = 0.1126 + ; Cmax = 1000.0 ] + + event "" 1.0 @ 200000.0 +| event "" 2.0 @ 150000.0 +| event "" (2.0 * x0) @ 100000.0 +| event "" (2.0 * x0) @ 50000.0 +| init "" 0.0 +| init "" 0.0 +| init "" x0 +| init "" 0.0 +// | init "{r^* e^*}" Cmax +| init "" 0.0 // (3.0 * Cmax) +// | init "{e^* x^*}" Cmax +// | init "" Cmax +// | init "{e^* v^*}" Cmax +| init "" 0.0 // (3.0 * Cmax) +// | init "{x^* v^*}" Cmax +// | init "{r^ e^}" Cmax +| init "" 0.0 // (3.0 * Cmax) +// | init "{e^ x^}" Cmax +// | init "" Cmax +// | init "{e^ v^}" Cmax +| init "" 0.0 // (3.0 * Cmax) +// | init "{x^ v^}" Cmax +// | init "{y^* e^}" Cmax +// | init "{e^* e^}" Cmax +// | init "{v^* v^}" Cmax +// | init "{y^ e^*}" Cmax +// | init "{e^ e^*}" Cmax +// | init "{v^ v^*}" Cmax +| init "" 0.0 +| init "" 0.0 +| init "" 0.0 +| init "" 0.0 +| init "" 0.0 +| init "" 0.0 +| init "[v^* v^]" 0.0 +| init "[v^ v^*]" 0.0 +| init "[x^* v^*]" 0.0 +| init "[x^ v^]" 0.0 +| init "[e^* v^*]" 0.0 +| init "[e^ v^]" 0.0 +| init "[e^* x^*]" 0.0 +| init "[e^ x^]" 0.0 +| init "[e^* e^]" 0.0 +| init "[e^ e^*]" 0.0 +| init "[y^* e^]" 0.0 +| init "[y^ e^*]" 0.0 +| init "[r^* e^*]" 0.0 +| init "[r^ e^]" 0.0 +| init "{r^*}[e^]" Cmax +| init "[r^]:[e^]" 0.0 +| init "{r^}[e^*]" Cmax +| init "[r^*]:[e^*]" 0.0 +| init "{y^*}[e^*]" Cmax +| init "[y^]:[e^*]" 0.0 +| init "{y^}[e^]" Cmax +| init "[y^*]:[e^]" 0.0 +| init "{e^*}[e^*]" Cmax +| init "[e^]:[e^*]" 0.0 +| init "{e^}[e^]" Cmax +| init "[e^*]:[e^]" 0.0 +| init "{e^*}[x^]" Cmax +| init "[e^]:[x^]" 0.0 +| init "{e^}[x^*]" Cmax +| init "[e^*]:[x^*]" 0.0 +| init "{e^*}[v^]" Cmax +| init "[e^]:[v^]" 0.0 +| init "{e^}[v^*]" Cmax +| init "[e^*]:[v^*]" 0.0 +| init "{x^*}[v^]" Cmax +| init "[x^]:[v^]" 0.0 +| init "{x^}[v^*]" Cmax +| init "[x^*]:[v^*]" 0.0 +| init "{v^*}[v^*]" Cmax +| init "[v^]:[v^*]" 0.0 +| init "{v^}[v^]" Cmax +| init "[v^*]:[v^]" 0.0 +| init "[x^]" 0.0 +| init "[r^]" 0.0 +| init "[y^]" 0.0 +| init "[v^]" 0.0 +| init "[e^]" 0.0 +| +"" + "{r^*}[e^]" <->{bind}{unbind} "[r^]:[e^]" | +"[r^]:[e^]" ->{pol} "[r^ e^]" + "" | +"[r^ e^]" ->{nick} "[r^]:[e^]" | +"" + "{r^}[e^*]" <->{bind}{unbind} "[r^*]:[e^*]" | +"[r^*]:[e^*]" ->{pol} "[r^* e^*]" + "" | +"[r^* e^*]" ->{nick} "[r^*]:[e^*]" | +"" + "{y^*}[e^*]" <->{bind}{unbind} "[y^]:[e^*]" | +"[y^]:[e^*]" ->{pol} "[y^ e^*]" + "" | +"[y^ e^*]" ->{nick} "[y^]:[e^*]" | +"" + "{y^}[e^]" <->{bind}{unbind} "[y^*]:[e^]" | +"[y^*]:[e^]" ->{pol} "[y^* e^]" + "" | +"[y^* e^]" ->{nick} "[y^*]:[e^]" | +"" + "{e^*}[e^*]" <->{bind}{unbind} "[e^]:[e^*]" | +"[e^]:[e^*]" ->{pol} "[e^ e^*]" + "" | +"[e^ e^*]" ->{nick} "[e^]:[e^*]" | +"" + "{e^}[e^]" <->{bind}{unbind} "[e^*]:[e^]" | +"[e^*]:[e^]" ->{pol} "[e^* e^]" + "" | +"[e^* e^]" ->{nick} "[e^*]:[e^]" | +"" + "{e^*}[x^]" <->{bind}{unbind} "[e^]:[x^]" | +"[e^]:[x^]" ->{pol} "[e^ x^]" + "" | +"[e^ x^]" ->{nick} "[e^]:[x^]" | +"" + "{e^}[x^*]" <->{bind}{unbind} "[e^*]:[x^*]" | +"[e^*]:[x^*]" ->{pol} "[e^* x^*]" + "" | +"[e^* x^*]" ->{nick} "[e^*]:[x^*]" | +"" + "{e^*}[v^]" <->{bind}{unbind} "[e^]:[v^]" | +"[e^]:[v^]" ->{pol} "[e^ v^]" + "" | +"[e^ v^]" ->{nick} "[e^]:[v^]" | +"" + "{e^}[v^*]" <->{bind}{unbind} "[e^*]:[v^*]" | +"[e^*]:[v^*]" ->{pol} "[e^* v^*]" + "" | +"[e^* v^*]" ->{nick} "[e^*]:[v^*]" | +"" + "{x^*}[v^]" <->{bind}{unbind} "[x^]:[v^]" | +"[x^]:[v^]" ->{pol} "[x^ v^]" + "" | +"[x^ v^]" ->{nick} "[x^]:[v^]" | +"" + "{x^}[v^*]" <->{bind}{unbind} "[x^*]:[v^*]" | +"[x^*]:[v^*]" ->{pol} "[x^* v^*]" + "" | +"[x^* v^*]" ->{nick} "[x^*]:[v^*]" | +"" + "{v^*}[v^*]" <->{bind}{unbind} "[v^]:[v^*]" | +"[v^]:[v^*]" ->{pol} "[v^ v^*]" + "" | +"[v^ v^*]" ->{nick} "[v^]:[v^*]" | +"" + "{v^}[v^]" <->{bind}{unbind} "[v^*]:[v^]" | +"[v^*]:[v^]" ->{pol} "[v^* v^]" + "" | +"[v^* v^]" ->{nick} "[v^*]:[v^]" | +"" + "" ->{ann} "[x^]" | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} "[r^]" | +"" + "" ->{ann} "[y^]" | +"" + "" ->{ann} "[v^]" | +"" + "" ->{ann} "[e^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/DnaToolbox.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/DnaToolbox.dna new file mode 100644 index 0000000..dbf8b26 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/DnaToolbox.dna @@ -0,0 +1,229 @@ +(*------------------ DnaToolbox implementation ------------------*) + +(*------------------ Instructions -------------------------------*) +(* Press "Graphics" (not "Simulate") *) +(* Then press "Simulate" in the tab Compilation -> Text *) +(* (on the right side; it is likely to have just gotten focus) *) +(*---------------------------------------------------------------*) + +(*------------------ Settings -----------------------------------*) +directive sample 500000.0 1000 +directive compilation infinite +directive simulation deterministicstiff +(* PI Controller settings *) +directive duration 250000.0 points 1000 +directive plot + sub (; ); + sub (; ); + sub (; ); + sub (; ) + +directive event 2.0*x0 @ 50000.0 +directive event 2.0*x0 @ 100000.0 +directive event 2.0 @ 150000.0 +directive event 1.0 @ 200000.0 + +(* +directive duration 500000.0 points 1000 +directive event 2*x0 @ 50000.0 +directive event 2*x0 @ 100000.0 +directive event 2*x0 @ 150000.0 +directive event 2*x0 @ 200000.0 +directive event 2*x0 @ 250000.0 +directive event 2*x0 @ 300000.0 +directive event 2*x0 @ 350000.0 +directive event 2*x0 @ 400000.0 +directive event 2*x0 @ 450000.0 +*) + +(* Circuit component settings (no events) +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() +*) + +directive parameters + [ deg = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4e-6 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ] + +new x@bind,unbind +new r@bind,unbind +new e@bind,unbind +new v@bind,unbind +new y@bind,unbind + +def R() = (* Signal(r) *) +def R'() = (* Signal'(r) *) +def E() = (* Signal(e) *) +def E'() = (* Signal'(e) *) +def V() = (* Signal(v) *) +def V'() = (* Signal'(v) *) +def Y() = (* Signal(y) *) +def Y'() = (* Signal'(y) *) +def X() = +def X'() = +def Load() = +def Load'() = + +(* Species *) +def Signal(x) = +def Signal'(x) = +def Template(x,y) = [x^]:[y^] +def Template'(x,y) = [x^*]:[y^*] +def TemplateOff(x,y) = {x^*}[y^] +def TemplateOff'(x,y) = {x^}[y^*] +def TemplateDS(x,y) = [x^ y^] +def TemplateDS'(x,y) = [x^* y^*] + +def TemplateOffInv(x,y) = {x^*}[y^*] +def TemplateOffInv'(x,y) = {x^}[y^] +def TemplateInv(x,y) = [x^]:[y^*] +def TemplateInv'(x,y) = [x^*]:[y^] +def TemplateDSInv(x,y) = [x^ y^*] +def TemplateDSInv'(x,y) = [x^* y^] + +(*------------------ Basic Reactions -----------------------*) +def Catalysis(k,x,y) = (* x -> x + y *) +( Cmax*k * TemplateOff(x,y) +| rxn Signal(x) + TemplateOff(x,y) <->{bind}{unbind} Template(x,y) +| rxn Template(x,y) ->{pol} TemplateDS(x,y) + Signal(y) +| rxn TemplateDS(x,y) ->{nick} Template(x,y) +) +def Catalysis'(k,x,y) = (* x' -> x' + y' *) +( Cmax*k * TemplateOff'(x,y) +| rxn Signal'(x) + TemplateOff'(x,y) <->{bind}{unbind} Template'(x,y) +| rxn Template'(x,y) ->{pol} TemplateDS'(x,y) + Signal'(y) +| rxn TemplateDS'(x,y) ->{nick} Template'(x,y) +) +def CatalysisInv(k,x,y) = (* x -> x + y' *) +( Cmax*k * TemplateOffInv(x,y) +| rxn Signal(x) + TemplateOffInv(x,y) <->{bind}{unbind} TemplateInv(x,y) +| rxn TemplateInv(x,y) ->{pol} TemplateDSInv(x,y) + Signal'(y) +| rxn TemplateDSInv(x,y) ->{nick} TemplateInv(x,y) +) +def CatalysisInv'(k,x,y) = (* x' -> x' + y *) +( Cmax*k * TemplateOffInv'(x,y) +| rxn Signal'(x) + TemplateOffInv'(x,y) <->{bind}{unbind} TemplateInv'(x,y) +| rxn TemplateInv'(x,y) ->{pol} TemplateDSInv'(x,y) + Signal(y) +| rxn TemplateDSInv'(x,y) ->{nick} TemplateInv'(x,y) +) +def Degradation(k,x) = CatalysisInv(1.0/k,x,x) +def Degradation'(k,x) = CatalysisInv'(1.0/k,x,x) + +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Annihilation(x) = + rxn Signal(x) + Signal'(x) ->{ann} [x^] + +(*------------------ Blocks --------------------------------*) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Load() + Signal(y) ->{0.01} Load() +| rxn Load'() + Signal'(y) ->{0.01} Load'() +| rxn Load() + Load'() ->{1.0} +) +def Plottables() = +( 0 * R() +| 0 * R'() +| 0 * V() +| 0 * V'() +| 0 * Y() +| 0 * Y'() +| 0 * Load() +| 0 * Load'() +) + +(*------------------ Full system ----------------------------*) +def System() = +( Plottables() +| x0 * R() +| PI(1.0,1.0,r,y,v) +| Plant(v,y) +| Annihilation(r) +| Annihilation(y) +| Annihilation(v) +| Annihilation(e) +) + +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +| Annihilation(x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) + +(*------------------ Run -------------------------------------*) + +System() +(* +TestAnnihilation() +TestCatalysis() +TestDegradation() +System() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout (Localized).crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout (Localized).crn new file mode 100644 index 0000000..2ff7908 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout (Localized).crn @@ -0,0 +1,16 @@ +directive sample 0.0,3600.0 2000 +directive plot "" + +init "" 1.0 | +init "{tA^*}[Aa]:[Ab tC^]" 2.0 | +init "" 1.0 | +init "[tA^ Aa Ab]{tC^*}" 0.0 | +init "{tA^*}[Aa Ab tC^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tC^*}[Ca Cb]" 10.0 | +init "[tC^ Ca Cb]" 0.0 | +"{tA^*}[Aa]:[Ab tC^]" + "" ->{0.0003} "[tA^ Aa Ab]{tC^*}" + "" + "" | +"[tA^ Aa Ab]{tC^*}" + "" <->{0.0003}{0.0003} "{tA^*}[Aa Ab tC^]" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout (Localized).dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout (Localized).dna new file mode 100644 index 0000000..68662e9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout (Localized).dna @@ -0,0 +1,171 @@ + (*------------------------------------------------------------------------------------ + Circuit : FANOUT Gate + Notes : Use Compilation: Infinite; + Source : [1] + Modified by : Boyan Yordanov + + Biological Computation Group + Microsoft Research + Cambridge UK + 2013 + + [1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization + circuits. DNA17, pages 64{83, 2011. + ------------------------------------------------------------------------------------*) + + +(******************************************** +* SPECIFICATIONS +********************************************) + + +(********************************************** +* Specification 1: Correctness example +*********************************************** +$init[0] and $terminal[10] and $FanoutSpec[10]; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; +************************************************) + + +(********************************************** +* Specification 2: Counter-example for default initial conditions +*********************************************** +directive abstraction connected; +$init[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT<=OUTPUT[0])}; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; +************************************************) + +(********************************************** +* Specification 3: Counter-example for generalized initial conditions with a single input +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +INPUT <= 1 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; + + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT <=OUTPUT[0])}; +************************************************) + + +(********************************************** +* Specification 4: Counter-example for generalized initial conditions with multiple inputs +*********************************************** +$InitialConditions[0] and $terminal[10] and not $FanoutSpec[10]; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; +************************************************) + + +(********************************************** +* Specification 5: Counter-example for modified specification +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec2[1]; + +$FanoutSpec2 :={ +(INPUT[0]=0 => OUTPUT=0) and +(INPUT[0]>0 => (OUTPUT = FANOUT[0]+INPUT[0]))}; + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT<=OUTPUT[0])}; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; +************************************************) + + +(******************************************** +* CIRCUIT +********************************************) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * | Degree * {Ti^*}[Inputa]:[Inputb To^] ) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( + 0 * OUTPUT() +|1 * INPUT() +|1 * FANOUT(tA, Aa, Ab, tC, Ca, Cb, 2) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout.crn new file mode 100644 index 0000000..f5ac648 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout.crn @@ -0,0 +1,20 @@ +directive sample 0.0,3600.0 2000 +directive plot "" + +init "{tA^*}[Aa]:[Ab tC^]:[Fa]:[Fb tC^]" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "[tA^ Aa Ab]{tC^*}:[Fa]:[Fb tC^]" 0.0 | +init "[tA^ Aa Ab]:[tC^ Fa Fb]{tC^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tC^*}[Ca Cb]" 10.0 | +init "[tC^ Ca Cb]" 0.0 | +init "[tC^ Ca Cb]" 0.0 | +"{tA^*}[Aa]:[Ab tC^]:[Fa]:[Fb tC^]" + "" ->{0.0003} "[tA^ Aa Ab]{tC^*}:[Fa]:[Fb tC^]" + "" + "" | +"[tA^ Aa Ab]{tC^*}:[Fa]:[Fb tC^]" + "" ->{0.0003} "[tA^ Aa Ab]:[tC^ Fa Fb]{tC^*}" + "" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout.dna new file mode 100644 index 0000000..a3762e2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fanout.dna @@ -0,0 +1,90 @@ +(*------------------------------------------------------------------------------------ +Circuit : Modified FANOUT Gate +Notes : Use Compilation: Infinite; +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(******************************************** +* SPECIFICATIONS +********************************************) + +(********************************************** +* Specification 1: Fanout of degree 2 +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$FanoutSpec :={ + OUTPUT = 2*INPUT[0]}; + +$InitialConditions := { + REPORTER > 2*INPUT and + OUTPUT = 0 and + FANOUT_1 > 2*INPUT and + FANOUT > INPUT and + sp_2 = 0 and + sp_5 = 0 and + sp_4 = 0 and + sp_3 = 0 and + sp_6 = 0 and + sp_1 = 0 and + sp_0 = 0 and + sp_7 = 0}; +************************************************) + + +(******************************************** +* CIRCUIT +********************************************) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def FANOUT(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( + 0 * OUTPUT() +|1 * INPUT() +|1 * FANOUT(tA, Aa, Ab, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Feed Forward.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Feed Forward.crn new file mode 100644 index 0000000..128c288 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Feed Forward.crn @@ -0,0 +1,37 @@ +directive plot ""; ""; "" + +init "" 100.0 | +init "" 100.0 | +init "" 100.0 | +init "[S1 S2a]{S2b^*}" 100.0 | +init "[S1 S2a]:[S2b^]" 0.0 | +init "[S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*}" 100.0 | +init "[S4b^ S5^ S7]:[S8^ S9a S9b^]:[S10^]" 0.0 | +init "[S4b^ S5^ S7]{S8^*}:[S9a S9b^ S10^]" 0.0 | +init "[S4b^ S5^ S7 S8^ S9a S9b^]:[S10^]" 0.0 | +init "[S4b^ S5^ S7 S8^ S9a S9b^]{S10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*}" 100.0 | +init "[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c]{S3^*}:[S4a S4b^ S5^]" 0.0 | +init "[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" 0.0 | +init "[S2a S2b^ S2c S3^ S4a S4b^]{S5^*}" 0.0 | +init "[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" 0.0 | +init "" 0.0 | +init "[S1 S2a S2b^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[S1 S2a]{S2b^*}" + "" <->{0.00042}{0.04} "[S1 S2a]:[S2b^]" | +"[S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*}" + "" <->{0.00065}{0.004} "[S4b^ S5^ S7]:[S8^ S9a S9b^]:[S10^]" | +"[S4b^ S5^ S7]{S8^*}:[S9a S9b^ S10^]" + "" ->{0.0005} "[S4b^ S5^ S7 S8^ S9a S9b^]:[S10^]" + "" | +"[S4b^ S5^ S7 S8^ S9a S9b^]:[S10^]" <->{0.004}{0.00065} "[S4b^ S5^ S7 S8^ S9a S9b^]{S10^*}" + "" | +"[S4b^ S5^ S7]:[S8^ S9a S9b^]:[S10^]" <->{0.00019}{0.0005} "[S4b^ S5^ S7]{S8^*}:[S9a S9b^ S10^]" + "" | +"[S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" | +"[S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" | +"[S2a S2b^ S2c]{S3^*}:[S4a S4b^ S5^]" + "" ->{0.00042} "[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" + "" | +"[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" <->{0.004}{0.00065} "[S2a S2b^ S2c S3^ S4a S4b^]{S5^*}" + "" | +"[S2a S2b^ S2c S3^ S4a S4b^]{S5^*}" + "" <->{0.00065}{0.004} "[S2a S2b^ S2c S3^ S4a S4b^]:[S5^]" | +"[S1 S2a]{S2b^*}" + "" ->{0.00042} "[S1 S2a S2b^]" + "" | +"[S2a S2b^ S2c]:[S3^ S4a S4b^]:[S5^]" <->{0.04}{0.00042} "[S2a S2b^ S2c]{S3^*}:[S4a S4b^ S5^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Feed Forward.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Feed Forward.dna new file mode 100644 index 0000000..7fa84fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Feed Forward.dna @@ -0,0 +1,31 @@ +(* A two-stage cascaded circuit, from Fig 3. *) +directive plot F0(); F1(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} (* x *) +dom S2b = { seq=TCTCCA; bind=4.2E-4; unbind=4.0E-2} (* y *) +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} (* x *) +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} +dom S9b = {seq=CCTACG} (* x *) +dom S10 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) + +def F0() = +def F1() = +def OBSB0() = [S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*} +def C0() = +def OBSB1() = [S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*} + +def Feedforward(N) = + ( N*F0() | N*OBSB0() | N*C0() | N*F1() | N*OBSB1() ) + +def FluorescingFeedforward(N) = + (Feedforward(N) | N*[S1 S2a]{S2b^*} ) + +FluorescingFeedforward(100) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fluorescent Catalytic.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fluorescent Catalytic.crn new file mode 100644 index 0000000..ee9b12a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fluorescent Catalytic.crn @@ -0,0 +1,23 @@ +directive sample 0.0,7000.0 1000 +directive plot sum(""); "[S1 S2a]{S2b^*}"; "" +directive scale 500.0 + +init "" 10.0 | +init "" 15.0 | +init "[S1 S2a]{S2b^*}" 10.0 | +init "[S1 S2a]:[S2b^]" 0.0 | +init "[S2a S2b^ S2c]:[S3^ S4]{S5^*}" 10.0 | +init "[S2a S2b^ S2c]:[S3^ S4]:[S5^]" 0.0 | +init "[S2a S2b^ S2c]{S3^*}:[S4 S5^]" 0.0 | +init "[S2a S2b^ S2c S3^ S4]:[S5^]" 0.0 | +init "[S2a S2b^ S2c S3^ S4]{S5^*}" 0.0 | +init "" 0.0 | +init "[S1 S2a S2b^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[S1 S2a]{S2b^*}" + "" <->{0.0003}{0.1126} "[S1 S2a]:[S2b^]" | +"[S2a S2b^ S2c]:[S3^ S4]{S5^*}" + "" <->{0.00065}{0.004} "[S2a S2b^ S2c]:[S3^ S4]:[S5^]" | +"[S2a S2b^ S2c]{S3^*}:[S4 S5^]" + "" ->{0.00042} "[S2a S2b^ S2c S3^ S4]:[S5^]" + "" | +"[S2a S2b^ S2c S3^ S4]:[S5^]" <->{0.004}{0.00065} "[S2a S2b^ S2c S3^ S4]{S5^*}" + "" | +"[S1 S2a]{S2b^*}" + "" ->{0.0003} "[S1 S2a S2b^]" + "" | +"[S2a S2b^ S2c]:[S3^ S4]:[S5^]" <->{0.04}{0.00042} "[S2a S2b^ S2c]{S3^*}:[S4 S5^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fluorescent Catalytic.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fluorescent Catalytic.dna new file mode 100644 index 0000000..3c8d4c5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fluorescent Catalytic.dna @@ -0,0 +1,31 @@ +(* A catalytic converter, with a fluorescent output and declared sequences, from Fig 1*) +directive duration 7000.0 points 1000 +directive scale 500.0 +directive plot Fuel _; Reporter(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} +dom S2b = { seq=TCTCCA} +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4 = { seq=CATTCAATACCCTACG} +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} +dom S6 = {seq=CCACATACATCATATT} + +def S2 = (S2a,S2b,S2c) + +def Fuel((ta,tb,tc)) = +def Substrate(o,(ta,tb,tc),s,t,r,f) = [ta tb^ tc]:[t^ r]:{f^*} +def Catalyst() = +def Reporter() = [S1 S2a]{S2b^*} + +def Catalytic(N) = + ( (N+5)*Fuel(S2) + | N*Substrate(S1,S2,S6,S3,S4,S5) + | N*Catalyst()) + +def FluoresingCatalytic(N) = + ( Catalytic(N) + | N*Reporter()) + + FluoresingCatalytic(10) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_And.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_And.crn new file mode 100644 index 0000000..ce46e96 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_And.crn @@ -0,0 +1,18 @@ +directive sample 0.0,3600.0 2000 +directive plot "" + +init "{tA^*}[Aa]:[Ab tB^]:[Ba]:[Bb tC^]" 10.0 | +init "" 0.0 | +init "[tA^ Aa Ab]{tB^*}:[Ba]:[Bb tC^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[tA^ Aa Ab]:[tB^ Ba Bb]{tC^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tC^*}[Ca Cb]" 10.0 | +init "[tC^ Ca Cb]" 0.0 | +"{tA^*}[Aa]:[Ab tB^]:[Ba]:[Bb tC^]" + "" ->{0.0003} "[tA^ Aa Ab]{tB^*}:[Ba]:[Bb tC^]" + "" + "" | +"[tA^ Aa Ab]{tB^*}:[Ba]:[Bb tC^]" + "" ->{0.0003} "[tA^ Aa Ab]:[tB^ Ba Bb]{tC^*}" + "" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_And.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_And.dna new file mode 100644 index 0000000..9d405f1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_And.dna @@ -0,0 +1,55 @@ + (*------------------------------------------------------------------------------------ +Circuit : AND Gate +Notes : Use Compilation: Infinite; +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( + 0 * OUTPUT() +|0 * INPUT_A() +|0 * INPUT_B() +|10 * AND(tA, Aa, Ab, tB, Ba, Bb, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_Or.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_Or.crn new file mode 100644 index 0000000..edaf51c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_Or.crn @@ -0,0 +1,21 @@ +directive sample 0.0,3600.0 2000 +directive plot "" + +init "" 0.0 | +init "" 0.0 | +init "{tB^*}[Ba]:[Bb tC^]" 10.0 | +init "[tB^ Ba Bb]{tC^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tA^*}[Aa]:[Ab tC^]" 10.0 | +init "[tA^ Aa Ab]{tC^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{tC^*}[Ca Cb]" 10.0 | +init "[tC^ Ca Cb]" 0.0 | +init "[tC^ Ca Cb]" 0.0 | +"{tB^*}[Ba]:[Bb tC^]" + "" ->{0.0003} "[tB^ Ba Bb]{tC^*}" + "" + "" | +"{tA^*}[Aa]:[Ab tC^]" + "" ->{0.0003} "[tA^ Aa Ab]{tC^*}" + "" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" | +"{tC^*}[Ca Cb]" + "" ->{0.0003} "[tC^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_Or.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_Or.dna new file mode 100644 index 0000000..063f0a2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Formal Analysis_Or.dna @@ -0,0 +1,56 @@ +(*------------------------------------------------------------------------------------ +Circuit : OR Gate +Notes : Use Compilation: Infinite; +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( + 0 * OUTPUT() +|0 * INPUT_A() +|0 * INPUT_B() +|10 * OR(tA, Aa, Ab, tB, Ba, Bb, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fuel-Less Threshold-Based Spatial AND Gate.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fuel-Less Threshold-Based Spatial AND Gate.crn new file mode 100644 index 0000000..593b28a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fuel-Less Threshold-Based Spatial AND Gate.crn @@ -0,0 +1,48 @@ +directive sample 0.0,40000.0 1000 +directive plot "" +directive simulation deterministic + +init "" 1.0 | +init "[[ [s*]{blank^> + | [s*]{y^> + | {tether(a, b) a0^*}[s]{x^> + | {tether(c, d) b0^*}[s]{x^> ]]" 1.0 | +init "[[ {tether(a, b)}[a0^ s]{x^ s} + | [s*]{blank^> + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" 0.0 | +init "{y^*}[s]{Q}" 1.0 | +init "" 0.0 | +init "[[ {tether(a, b)}[a0^ s]:[x^* s*]::[y^ s]{Q} + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" 0.0 | +"[[ [s*]{blank^> + | [s*]{y^> + | {tether(a, b) a0^*}[s]{x^> + | {tether(c, d) b0^*}[s]{x^> ]]" + "" ->{0.0003} "[[ {tether(a, b)}[a0^ s]{x^ s} + | [s*]{blank^> + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" | +"[[ {tether(a, b)}[a0^ s]{x^ s} + | [s*]{blank^> + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" ->{300.0} "[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" | +"[[ {tether(a, b)}[a0^ s]{x^ s} + | [s*]{blank^> + | [s*]{y^> + | {tether(c, d) b0^*}[s]{x^> ]]" ->{30.0} "[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" | +"[[ {tether(a, b)}[a0^ s]:[x^* s*] + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" + "{y^*}[s]{Q}" ->{0.0003} "" + "[[ {tether(a, b)}[a0^ s]:[x^* s*]::[y^ s]{Q} + | [s*]{blank^> + | {tether(c, d) b0^*}[s]{x^> ]]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fuel-Less Threshold-Based Spatial AND Gate.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fuel-Less Threshold-Based Spatial AND Gate.dna new file mode 100644 index 0000000..8d9660d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Fuel-Less Threshold-Based Spatial AND Gate.dna @@ -0,0 +1,28 @@ +(* Simplified threshold-based spatial AND gate *) +directive sample 40000.0 1000 +directive polymers +directive simulation deterministic +directive localconcentrations [ (a, 1000000); (b, 100000); (c, 1000000); (d, 100000) ] +directive plot reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom b0 = { colour = "purple" } +dom blank = { colour = "black" } + +def input1() = +def input2() = +def probe() = {y^*}[s]{Q} +def reporter() = +def origami() = [[ {tether(a,b) a0^*}[s]{x^> + | {tether(c,d) b0^*}[s]{x^> + | [s*]{blank^> + | [s*]{y^> ]] + +( input1() +(*| input2()*) +| probe() +| origami() +| 0 * reporter() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Genelet.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Genelet.crn new file mode 100644 index 0000000..746fef0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Genelet.crn @@ -0,0 +1,126 @@ +directive sample 0.0,250000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 0.001 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; k = 0.05 ] + +event "" 1.0 @ 200000.0 | +event "" 2.0 @ 150000.0 | +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "" Cmax | +init "" (2.0 * Cmax) | +init "" Cmax | +init "" Cmax | +init "" (2.0 * Cmax) | +init "" Cmax | +init "" Cmax | +init "" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "" 0.0 | +init "[u^ rs]{t^*}:[prom e^ es]" Cmax | +init "[u^ es]{t^*}:[prom x^ xs]" Cmax | +init "[u^ es]{t^*}:[prom v^ vs]" Cmax | +init "[u^ xs]{t^*}:[prom v^ vs]" Cmax | +init "[u^ rs']{t^*}:[prom e^* es']" Cmax | +init "[u^ es']{t^*}:[prom x^* xs']" Cmax | +init "[u^ es']{t^*}:[prom v^* vs']" Cmax | +init "[u^ xs']{t^*}:[prom v^* vs']" Cmax | +init "[u^ ys]{t^*}:[prom e^* es']" Cmax | +init "[u^ ys']{t^*}:[prom e^ es]" Cmax | +init "{r^*}[rs t^]" Cmax | +init "[r^ rs]{t^*}" Cmax | +init "" 0.0 | +init "{u^*}[rs t^]:[prom e^ es]" 0.0 | +init "{y^*}[ys t^]" Cmax | +init "{e^*}[es t^]" (2.0 * Cmax) | +init "{x^*}[xs t^]" Cmax | +init "{r^}[rs' t^]" Cmax | +init "[r^* rs']{t^*}" Cmax | +init "" 0.0 | +init "{u^*}[rs' t^]:[prom e^* es']" 0.0 | +init "{y^}[ys' t^]" Cmax | +init "{e^}[es' t^]" (2.0 * Cmax) | +init "{x^}[xs' t^]" Cmax | +init "[y^ ys]{t^*}" Cmax | +init "[e^ es]{t^*}" (2.0 * Cmax) | +init "[x^ xs]{t^*}" Cmax | +init "[y^* ys']{t^*}" Cmax | +init "[e^* es']{t^*}" (2.0 * Cmax) | +init "[x^* xs']{t^*}" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[ys t^]:[prom e^* es']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[ys' t^]:[prom e^ es]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[es t^]:[prom x^ xs]" 0.0 | +init "{u^*}[es t^]:[prom v^ vs]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[es' t^]:[prom x^* xs']" 0.0 | +init "{u^*}[es' t^]:[prom v^* vs']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[xs t^]:[prom v^ vs]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{u^*}[xs' t^]:[prom v^* vs']" 0.0 | +"{u^*}[rs t^]:[prom e^ es]" ->{pol} "{u^*}[rs t^]:[prom e^ es]" + "" | +"{u^*}[rs' t^]:[prom e^* es']" ->{pol} "{u^*}[rs' t^]:[prom e^* es']" + "" | +"{u^*}[ys t^]:[prom e^* es']" ->{pol} "{u^*}[ys t^]:[prom e^* es']" + "" | +"{u^*}[ys' t^]:[prom e^ es]" ->{pol} "{u^*}[ys' t^]:[prom e^ es]" + "" | +"" ->{deg} | +"" ->{deg} | +"{u^*}[es t^]:[prom x^ xs]" ->{pol} "{u^*}[es t^]:[prom x^ xs]" + "" | +"{u^*}[es' t^]:[prom x^* xs']" ->{pol} "{u^*}[es' t^]:[prom x^* xs']" + "" | +"{u^*}[es t^]:[prom v^ vs]" ->{pol} "{u^*}[es t^]:[prom v^ vs]" + "" | +"{u^*}[es' t^]:[prom v^* vs']" ->{pol} "{u^*}[es' t^]:[prom v^* vs']" + "" | +"{u^*}[xs t^]:[prom v^ vs]" ->{pol} "{u^*}[xs t^]:[prom v^ vs]" + "" | +"{u^*}[xs' t^]:[prom v^* vs']" ->{pol} "{u^*}[xs' t^]:[prom v^* vs']" + "" | +"" ->{deg} | +"" ->{deg} | +"" + "" ->{ann} | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"" + "" ->{ann} | +"" + "" ->{ann} | +"" + "" ->{ann} | +"" + "" ->{ann} | +"{r^*}[rs t^]" + "" <->{(k * bind)}{bind} "[r^ rs]{t^*}" + "" | +"[u^ rs]{t^*}:[prom e^ es]" + "" <->{bind}{bind} "{u^*}[rs t^]:[prom e^ es]" + "" | +"{r^}[rs' t^]" + "" <->{(k * bind)}{bind} "[r^* rs']{t^*}" + "" | +"[u^ rs']{t^*}:[prom e^* es']" + "" <->{bind}{bind} "{u^*}[rs' t^]:[prom e^* es']" + "" | +"{y^*}[ys t^]" + "" <->{(k * bind)}{bind} "[y^ ys]{t^*}" + "" | +"[u^ ys]{t^*}:[prom e^* es']" + "" <->{bind}{bind} "{u^*}[ys t^]:[prom e^* es']" + "" | +"{y^}[ys' t^]" + "" <->{(k * bind)}{bind} "[y^* ys']{t^*}" + "" | +"[u^ ys']{t^*}:[prom e^ es]" + "" <->{bind}{bind} "{u^*}[ys' t^]:[prom e^ es]" + "" | +"{e^*}[es t^]" + "" <->{(k * bind)}{bind} "[e^ es]{t^*}" + "" | +"[u^ es]{t^*}:[prom x^ xs]" + "" <->{bind}{bind} "{u^*}[es t^]:[prom x^ xs]" + "" | +"[u^ es]{t^*}:[prom v^ vs]" + "" <->{bind}{bind} "{u^*}[es t^]:[prom v^ vs]" + "" | +"{e^}[es' t^]" + "" <->{(k * bind)}{bind} "[e^* es']{t^*}" + "" | +"[u^ es']{t^*}:[prom x^* xs']" + "" <->{bind}{bind} "{u^*}[es' t^]:[prom x^* xs']" + "" | +"[u^ es']{t^*}:[prom v^* vs']" + "" <->{bind}{bind} "{u^*}[es' t^]:[prom v^* vs']" + "" | +"{x^*}[xs t^]" + "" <->{(k * bind)}{bind} "[x^ xs]{t^*}" + "" | +"[u^ xs]{t^*}:[prom v^ vs]" + "" <->{bind}{bind} "{u^*}[xs t^]:[prom v^ vs]" + "" | +"{x^}[xs' t^]" + "" <->{(k * bind)}{bind} "[x^* xs']{t^*}" + "" | +"[u^ xs']{t^*}:[prom v^* vs']" + "" <->{bind}{bind} "{u^*}[xs' t^]:[prom v^* vs']" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Genelet.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Genelet.dna new file mode 100644 index 0000000..3ee05eb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Genelet.dna @@ -0,0 +1,231 @@ +(*------------------ Genelet implementation ----------------*) + +(*------------------ Settings ------------------------------*) +directive compilation infinite +directive simulation deterministicstiff +(* PI Controller settings *) +directive duration 250000.0 points 1000 +directive plot + sub(; ); (* R - R' *) + sub(; ); (* V - V' *) + sub(; ); (* Y - Y' *) + sub(; ) + +directive event 2.0*x0 @ 50000.0 +directive event 2.0*x0 @ 100000.0 +directive event 2.0 @ 150000.0 +directive event 1.0 @ 200000.0 + +(* +directive duration 500000.0 points 1000 +directive event 2*x0 @ 50000.0 +directive event 2*x0 @ 100000.0 +directive event 2*x0 @ 150000.0 +directive event 2*x0 @ 200000.0 +directive event 2*x0 @ 250000.0 +directive event 2*x0 @ 300000.0 +directive event 2*x0 @ 350000.0 +directive event 2*x0 @ 400000.0 +directive event 2*x0 @ 450000.0 +*) +(* Circuit component settings (no events) +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() +*) +directive parameters + [ deg = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 0.001 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; k = 0.05 + ] + +new x@k*bind,unbind +new r@k*bind,unbind +new e@k*bind,unbind +new v@k*bind,unbind +new y@k*bind,unbind +new t@bind,unbind +new u@bind,unbind + +(* Plotting *) +def R() = (* Signal(r,rs) *) +def R'() = (* Signal'(r,rs') *) +def E() = (* Signal(e,es) *) +def E'() = (* Signal'(e,es') *) +def V() = (* Signal(v,vs) *) +def V'() = (* Signal'(v,vs') *) +def Y() = (* Signal(y,ys) *) +def Y'() = (* Signal'(y,ys') *) +def X() = (* Signal'(x,xs') *) +def X'() = (* Signal'(x,xs') *) +def Load() = +def Load'() = + +(* Species *) +def Signal(x,xs) = +def Signal'(x,xs') = +def Template(x,xs,y,ys) = {u^*}[xs t^]:[prom y^ ys] +def Template'(x,xs',y,ys') = {u^*}[xs' t^]:[prom y^* ys'] +def TemplateOff(x,xs,y,ys) = [u^ xs]{t^*}:[prom y^ ys] +def TemplateOff'(x,xs',y,ys') = [u^ xs']{t^*}:[prom y^* ys'] +def TemplateOffInv(x,xs,y,ys') = [u^ xs]{t^*}:[prom y^* ys'] +def TemplateOffInv'(x,xs',y,ys) = [u^ xs']{t^*}:[prom y^ ys] +def TemplateInv(x,xs,y,ys') = {u^*}[xs t^]:[prom y^* ys'] +def TemplateInv'(x,xs',y,ys) = {u^*}[xs' t^]:[prom y^ ys] +def Transducer(x,xs) = {x^*}[xs t^] +def Transducer'(x,xs') = {x^}[xs' t^] +def TransducerRev(x,xs) = [x^ xs]{t^*} +def TransducerRev'(x,xs') = [x^* xs']{t^*} + +(*------------------ Basic Reactions -----------------------*) +def Catalysis(k,x,xs,y,ys) = (* x -> x + y *) +( Cmax*k * TemplateOff(x,xs,y,ys) +| Cmax*k * Transducer(x,xs) +| Cmax*k * TransducerRev(x,xs) +| Cmax*k * +| rxn Template(x,xs,y,ys) ->{pol} Template(x,xs,y,ys) + Signal(y,ys) +) +def Catalysis'(k,x,xs',y,ys') = (* x' -> x' + y' *) +( Cmax*k * TemplateOff'(x,xs',y,ys') +| Cmax*k * Transducer'(x,xs') +| Cmax*k * TransducerRev'(x,xs') +| Cmax*k * +| rxn Template'(x,xs',y,ys') ->{pol} Template'(x,xs',y,ys') + Signal'(y,ys') +) +def CatalysisInv(k,x,xs,y,ys') = (* x -> x + y' *) +( Cmax*k * TemplateOffInv(x,xs,y,ys') +| Cmax*k * Transducer(x,xs) +| Cmax*k * TransducerRev(x,xs) +| Cmax*k * +| rxn TemplateInv(x,xs,y,ys') ->{pol} TemplateInv(x,xs,y,ys') + Signal'(y,ys') +) +def CatalysisInv'(k,x,xs',y,ys) = (* x' -> x' + y *) +( Cmax*k * TemplateOffInv'(x,xs',y,ys) +| Cmax*k * Transducer'(x,xs') +| Cmax*k * TransducerRev'(x,xs') +| Cmax*k * +| rxn TemplateInv'(x,xs',y,ys) ->{pol} TemplateInv'(x,xs',y,ys) + Signal(y,ys) +) +def Degradation(k,x,xs,xs') = +(* CatalysisInv(k,x,xs,x,xs') *) + ( rxn Signal(x,xs) ->{deg/k} ) + +def Degradation'(k,x,xs,xs') = +(* CatalysisInv'(k,x,xs',x,xs) *) + ( rxn Signal'(x,xs') ->{deg/k} ) + +def Catalysis2(k,x,xs,xs',y,ys,ys') = +( Catalysis(k,x,xs,y,ys) +| Catalysis'(k,x,xs',y,ys') +) +def Catalysis2Inv(k,x,xs,xs',y,ys,ys') = +( CatalysisInv(k,x,xs,y,ys') +| CatalysisInv'(k,x,xs',y,ys) +) +def Degradation2(k,x,xs,xs') = +( Degradation(k,x,xs,xs') +| Degradation'(k,x,xs,xs') +) +def Annihilation(x,xs,xs') = + ( rxn Signal(x,xs) + Signal'(x,xs') ->{ann} (* {xs'}[x^] *) ) + +(*------------------ Blocks --------------------------------*) +def Integration(kI,x,xs,xs',y,ys,ys') = + ( Catalysis2(kI,x,xs,xs',y,ys,ys') ) + +def Gain(k,kD,x,xs,xs',y,ys,ys') = +( Catalysis2(k,x,xs,xs',y,ys,ys') +| Degradation2(kD,y,ys,ys') +) +def Summation(k1,k2,kD,x1,x1s,x1s',x2,x2s,x2s',y,ys,ys') = +( Catalysis2(k1,x1,x1s,x1s',y,ys,ys') +| Catalysis2(k2,x2,x2s,x2s',y,ys,ys') +| Degradation2(kD,y,ys,ys') +) +def SummationInv(k1,k2,kD,x1,x1s,x1s',x2,x2s,x2s',y,ys,ys') = +( Catalysis2(k1,x1,x1s,x1s',y,ys,ys') +| Catalysis2Inv(k2,x2,x2s,x2s',y,ys,ys') +| Degradation2(kD,y,ys,ys') +) + +def PI(kP,kI, r,rs,rs', y,ys,ys', v,vs,vs') = +( SummationInv(1.0,1.0,1.0,r,rs,rs',y,ys,ys',e,es,es') +| Integration(kI,e,es,es',x,xs,xs') +| Summation(kP,1.0,1.0,e,es,es',x,xs,xs',v,vs,vs') +| Annihilation(x,xs,xs') +) +def Plant(v,vs,vs', y,ys,ys') = +( rxn Signal(v,vs) ->{0.2} Signal(v,vs) + Signal(y,ys) +| rxn Signal'(v,vs')->{0.2} Signal'(v,vs')+ Signal'(y,ys') +| rxn Signal(y,ys) ->{0.1} +| rxn Signal'(y,ys')->{0.1} +| rxn Load() + Signal(y,ys) ->{0.01} Load() +| rxn Load'() + Signal'(y,ys') ->{0.01} Load'() +| rxn Load() + Load'() ->{1.0} +) +def Plottables() = +( 0 * R() +| 0 * R'() +| 0 * V() +| 0 * V'() +| 0 * Y() +| 0 * Y'() +| 0 * Load() +| 0 * Load'() +) + +(*------------------ Full system ----------------------------*) +def System() = +( Plottables() +| x0 * R() +| PI(1.0,1.0, r,rs,rs', y,ys,ys', v,vs,vs') +| Plant(v,vs,vs', y,ys,ys') +| Annihilation(r,rs,rs') +| Annihilation(y,ys,ys') +| Annihilation(v,vs,vs') +| Annihilation(e,es,es') +) + +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x,xs,xs') +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0, x,xs, y,ys) +) +def TestDegradation() = +( X() +| Degradation(1.0, x,xs,xs') +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0, x,xs,xs', y,ys,ys') +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0, x,xs,xs' ,e,es,es', v,vs,vs') +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0, y,ys,ys', r,rs,rs', e,es,es') +| Annihilation(e,es,es') +) + +(*------------------ Run -------------------------------------*) +System() +(* +TestAnnihilation() +TestCatalysis() +TestDegradation() +System() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Independent Input.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Independent Input.crn new file mode 100644 index 0000000..800c0eb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Independent Input.crn @@ -0,0 +1,19 @@ +directive plot sum(""); "" + +init "" 10.0 | +init "" 100.0 | +init "[S12^]:[S13 S14^]{S15^*}" 100.0 | +init "{S12^*}[S13 S14^]{S15^*}" 0.0 | +init "{S12^*}[S13 S14^]:[S15^]" 0.0 | +init "[S12^ S13 S14^]:[S15^]" 0.0 | +init "[S12^ S13 S14^]{S15^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[S12^]:[S13 S14^]:[S15^]" 0.0 | +"[S12^]:[S13 S14^]{S15^*}" ->{0.1126} "{S12^*}[S13 S14^]{S15^*}" + "" | +"{S12^*}[S13 S14^]{S15^*}" + "" ->{0.0003} "[S12^ S13 S14^]{S15^*}" + "" | +"{S12^*}[S13 S14^]{S15^*}" + "" <->{0.0003}{0.1126} "{S12^*}[S13 S14^]:[S15^]" | +"{S12^*}[S13 S14^]:[S15^]" + "" ->{0.0003} "[S12^ S13 S14^]:[S15^]" + "" | +"[S12^ S13 S14^]:[S15^]" <->{0.1126}{0.0003} "[S12^ S13 S14^]{S15^*}" + "" | +"[S12^]:[S13 S14^]:[S15^]" ->{0.1126} "{S12^*}[S13 S14^]:[S15^]" + "" | +"[S12^]:[S13 S14^]{S15^*}" + "" <->{0.0003}{0.1126} "[S12^]:[S13 S14^]:[S15^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Independent Input.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Independent Input.dna new file mode 100644 index 0000000..a9ef47c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Independent Input.dna @@ -0,0 +1,13 @@ +directive plot ; fuel _ +dom S11 = { seq = ACCTAATAGC } +dom S12 = { seq = ACCACATCAA } +dom S13 = { seq = TCTCGATCCAGTAC } +dom S14 = { seq = ACCT } +dom S15 = { seq = CTTCACGAACATTTCA } +dom S16 = { seq = TAGCCA } + +def catalyst(N) = N* +def fuel(N) = N* +def substrate(N) = N* [S12^]:[S13 S14^]{S15^*} + +( fuel(100) | substrate(100) | catalyst(10)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Localization_AND Gate.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Localization_AND Gate.crn new file mode 100644 index 0000000..6523a64 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Localization_AND Gate.crn @@ -0,0 +1,24 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init "{T^*}[A T^]:[B T^]" 1.0 | +init "{T^*}[C]" 1.0 | +init "" in1 | +init "[T^ A]{T^*}:[B T^]" 0.0 | +init "" 0.0 | +init "" in2 | +init "[T^ A]:[T^ B]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ C]" 0.0 | +init "" 0.0 | +"{T^*}[A T^]:[B T^]" + "" <->{(c0 * 5E-05)}{(c0 * 5E-05)} "[T^ A]{T^*}:[B T^]" + "" | +"{T^*}[C]" + "" ->{(c0 * 5E-05)} "[T^ C]" + "" | +"[T^ A]{T^*}:[B T^]" + "" <->{(c0 * 5E-05)}{(c0 * 5E-05)} "[T^ A]:[T^ B]{T^*}" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Localization_AND Gate.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Localization_AND Gate.dna new file mode 100644 index 0000000..b8c0b0f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Localization_AND Gate.dna @@ -0,0 +1,30 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, s) = +def AND (Ti1, Input1, Ti2, Input2, To, Output) = {Ti1^*}[Input1 Ti2^]:[Input2 To^] +def REPORTER (Ti, Input) = {Ti^*}[Input] + +new T@ c0 * bind, unbind + +( + in1 * STRAND(T, A) +| in2 * STRAND(T, B) +| AND (T, A, T, B, T, C) +| REPORTER (T, C) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Lotka.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Lotka.crn new file mode 100644 index 0000000..89fa11f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Lotka.crn @@ -0,0 +1,31 @@ +directive sample 0.0,20000.0 1000 +directive plot ""; "" +directive reltolerance 1e-07 + +init constant "{t^*}[y1 x^ y2]{t^*}" 30000.0 | +init constant "{x^*}[y2 i.1]:[t^ y2r]:[t^ y2r]" 3000000.0 | +init "" 1000.0 | +init "[t^ y1 x^]:[y2]{t^*}" 0.0 | +init "" 1000.0 | +init "{t^*}[y1 x^ y2]:[t^]" 0.0 | +init "[t^ y1 x^]:[y2 t^]" 0.0 | +init "" 0.0 | +init "[x^ y2 i.1 t^ y2r t^ y2r]" 0.0 | +init "" 0.0 | +init constant "{t^*}[y1 x^]" 1000.0 | +init "[t^ y1 x^]" 0.0 | +init "" 0.0 | +init constant "{x^*}[i]:[y1l t^]:[y1l t^]" 100000.0 | +init "[x^ i y1l t^ y1l t^]" 0.0 | +init "" 0.0 | +init constant "[y2]{t^*}" 1000.0 | +init "[y2 t^]" 0.0 | +init "" 0.0 | +"{t^*}[y1 x^ y2]{t^*}" + "" <->{1E-05}{0.1} "[t^ y1 x^]:[y2]{t^*}" | +"[t^ y1 x^]:[y2]{t^*}" + "" ->{1E-05} "[t^ y1 x^]:[y2 t^]" + "" | +"{t^*}[y1 x^ y2]{t^*}" + "" <->{1E-05}{0.1} "{t^*}[y1 x^ y2]:[t^]" | +"{t^*}[y1 x^ y2]:[t^]" + "" ->{1E-05} "[t^ y1 x^]:[y2 t^]" + "" | +"{x^*}[y2 i.1]:[t^ y2r]:[t^ y2r]" + "" ->{1E-05} "[x^ y2 i.1 t^ y2r t^ y2r]" + "" + 2"" | +"{t^*}[y1 x^]" + "" ->{1E-05} "[t^ y1 x^]" + "" | +"{x^*}[i]:[y1l t^]:[y1l t^]" + "" ->{1E-05} "[x^ i y1l t^ y1l t^]" + "" + 2"" | +"[y2]{t^*}" + "" ->{1E-05} "[y2 t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Lotka.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Lotka.dna new file mode 100644 index 0000000..7bf2eec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Lotka.dna @@ -0,0 +1,32 @@ +directive duration 20000.0 points 1000 +directive plot ; +directive reltolerance 1e-7 + +def bind = 0.00001 (* /nM/s *) +def unbind = 0.1 (* /s *) +def Excess = 100 + +new x@ bind,unbind +new t@ bind,unbind + +def SpeciesL(N,al,a) = N * +def SpeciesR(N,a,ar) = N * +def BinaryLRxRR(N,al,a,b,br,c,cr,d,dr) = (* A + B ->{N} C + D *) + new i + ( constant N * {t^*}:[a x^ b]:{t^*} + | constant N * Excess * {x^*}:[b i]:[t^ cr]:[t^ dr] + ) +def UnaryLxLL(N,al,a,cl,c,dl,d) = (* A ->{N} C + D *) + new i + ( constant N * {t^*}:[a x^] + | constant N * Excess * {x^*}:[i]:[cl t^]:[dl t^] + ) +def UnaryRx(N,a,ar) = (* A ->{N} *) + constant N * [a]:{t^*} + +( UnaryLxLL(1000,y1l,y1,y1l,y1,y1l,y1) (* Y1 -c1-> Y1 + Y1 *) +| BinaryLRxRR(30000,y1l,y1,y2,y2r,y2,y2r,y2,y2r) (* Y1 + Y2 -c2-> Y2 + Y2 *) +| UnaryRx(1000,y2,y2r) (* Y2 -c3-> *) +| SpeciesL(1000,y1l,y1) (* Y1 *) +| SpeciesR(1000,y2,y2r) (* Y2 *) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Mapk.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Mapk.crn new file mode 100644 index 0000000..26f8263 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Mapk.crn @@ -0,0 +1,176 @@ +directive sample 0.0,20000.0 1000 +directive plot ""; ""; ""; ""; ""; ""; ""; "" +directive scale 10.0 + +init constant "{t^*}[e1 x^ kkk]{t^*}" 50.0 | +init constant "{x^*}[kkk i]:[e1l t^]:[i]:[t^ kkksr]" 5000.0 | +init constant "{t^*}[e2 x^ kkks]{t^*}" 1.0 | +init constant "{x^*}[kkks i.1]:[e2l t^]:[i.1]:[t^ kkkr]" 100.0 | +init constant "{t^*}[kk x^ kkks]{t^*}" 50.0 | +init constant "{x^*}[kkks i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" 5000.0 | +init constant "{t^*}[kkp x^ kkks]{t^*}" 50.0 | +init constant "{x^*}[kkks i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" 5000.0 | +init constant "{t^*}[kkpp x^ kkpase]{t^*}" 1.0 | +init constant "{x^*}[kkpase i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" 100.0 | +init constant "{t^*}[kkp x^ kkpase]{t^*}" 1.0 | +init constant "{x^*}[kkpase i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" 100.0 | +init constant "{t^*}[kkpp x^ k]{t^*}" 50.0 | +init constant "{x^*}[k i.6]:[kkppl t^]:[i.6]:[t^ kpr]" 5000.0 | +init constant "{t^*}[kkpp x^ kp]{t^*}" 50.0 | +init constant "{x^*}[kp i.7]:[kkppl t^]:[i.7]:[t^ kppr]" 5000.0 | +init constant "{t^*}[kpase x^ kpp]{t^*}" 1.0 | +init constant "{x^*}[kpp i.8]:[kpasel t^]:[i.8]:[t^ kpr]" 100.0 | +init constant "{t^*}[kpase x^ kp]{t^*}" 1.0 | +init constant "{x^*}[kp i.9]:[kpasel t^]:[i.9]:[t^ kr]" 100.0 | +init "" 1.0 | +init "[t^ e1 x^]:[kkk]{t^*}" 0.0 | +init "" 100.0 | +init "[t^ kk x^]:[kkks]{t^*}" 0.0 | +init "" 1.0 | +init "[t^ e2 x^]:[kkks]{t^*}" 0.0 | +init "" 1.0 | +init "[t^ kpase x^]:[kpp]{t^*}" 0.0 | +init "[t^ kpase x^]:[kp]{t^*}" 0.0 | +init "" 10.0 | +init "{t^*}[e1 x^ kkk]:[t^]" 0.0 | +init "[t^ e1 x^]:[kkk t^]" 0.0 | +init "" 0.0 | +init "[x^ kkk i e1l t^ i t^ kkksr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[e2 x^ kkks]:[t^]" 0.0 | +init "[t^ e2 x^]:[kkks t^]" 0.0 | +init "" 0.0 | +init "[x^ kkks i.1 e2l t^ i.1 t^ kkkr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x^ kkks]:[i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" 0.0 | +init "[x^ kkks]:[i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" 0.0 | +init "{t^*}[kk x^ kkks]:[t^]" 0.0 | +init "[t^ kk x^]:[kkks t^]" 0.0 | +init "" 0.0 | +init "[x^ kkks]:[i.1]:[e2l t^]:[i.1]:[t^ kkkr]" 0.0 | +init "[x^ kkks i.2 kkpl t^ i.2 t^ kkksr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ kkp x^]:[kkks]{t^*}" 0.0 | +init "[t^ kkp x^]:[kkks t^]" 0.0 | +init "" 0.0 | +init "[x^ kkks]:[i.1]:[e2l t^]:[i.1]:[t^ kkkr]" 0.0 | +init "[x^ kkks]:[i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" 0.0 | +init "[x^ kkks i.3 kkppl t^ i.3 t^ kkksr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^ kkpp x^]:[kkpase]{t^*}" 0.0 | +init "[t^ kkpp x^]:[k]{t^*}" 0.0 | +init "[t^ kkpp x^]:[kp]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ kkp x^]:[kkpase]{t^*}" 0.0 | +init "" 0.0 | +init "[x^ kkks]:[i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" 0.0 | +init "{t^*}[kkp x^ kkks]:[t^]" 0.0 | +init "" 100.0 | +init "{t^*}[kkpp x^ k]:[t^]" 0.0 | +init "[t^ kkpp x^]:[k t^]" 0.0 | +init "" 0.0 | +init "[x^ k i.6 kkppl t^ i.6 t^ kpr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[kkpp x^ kp]:[t^]" 0.0 | +init "[t^ kkpp x^]:[kp t^]" 0.0 | +init "" 0.0 | +init "[x^ kp i.7 kkppl t^ i.7 t^ kppr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[kpase x^ kpp]:[t^]" 0.0 | +init "[t^ kpase x^]:[kpp t^]" 0.0 | +init "" 0.0 | +init "[x^ kpp i.8 kpasel t^ i.8 t^ kpr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x^ kp]:[i.9]:[kpasel t^]:[i.9]:[t^ kr]" 0.0 | +init "{t^*}[kpase x^ kp]:[t^]" 0.0 | +init "[t^ kpase x^]:[kp t^]" 0.0 | +init "" 0.0 | +init "[x^ kp]:[i.7]:[kkppl t^]:[i.7]:[t^ kppr]" 0.0 | +init "[x^ kp i.9 kpasel t^ i.9 t^ kr]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "{t^*}[kkpp x^ kkpase]:[t^]" 0.0 | +init "[t^ kkpp x^]:[kkpase t^]" 0.0 | +init "" 0.0 | +init "[x^ kkpase i.4 kkpl t^ i.4 t^ kkpaser]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x^ kkpase]:[i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" 0.0 | +init "{t^*}[kkp x^ kkpase]:[t^]" 0.0 | +init "[t^ kkp x^]:[kkpase t^]" 0.0 | +init "" 0.0 | +init "[x^ kkpase]:[i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" 0.0 | +init "[x^ kkpase i.5 kkl t^ i.5 t^ kkpaser]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"{t^*}[e1 x^ kkk]{t^*}" + "" <->{0.0003}{0.1126} "[t^ e1 x^]:[kkk]{t^*}" | +"{t^*}[kk x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kk x^]:[kkks]{t^*}" | +"{t^*}[e2 x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "[t^ e2 x^]:[kkks]{t^*}" | +"{t^*}[kpase x^ kpp]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kpase x^]:[kpp]{t^*}" | +"{t^*}[kpase x^ kp]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kpase x^]:[kp]{t^*}" | +"[t^ e1 x^]:[kkk]{t^*}" + "" ->{0.0003} "[t^ e1 x^]:[kkk t^]" + "" | +"{t^*}[e1 x^ kkk]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[e1 x^ kkk]:[t^]" | +"{t^*}[e1 x^ kkk]:[t^]" + "" ->{0.0003} "[t^ e1 x^]:[kkk t^]" + "" | +"{x^*}[kkk i]:[e1l t^]:[i]:[t^ kkksr]" + "" ->{0.0003} "[x^ kkk i e1l t^ i t^ kkksr]" + "" + "" + "" + "" | +"[t^ kk x^]:[kkks]{t^*}" + "" ->{0.0003} "[t^ kk x^]:[kkks t^]" + "" | +"[t^ e2 x^]:[kkks]{t^*}" + "" ->{0.0003} "[t^ e2 x^]:[kkks t^]" + "" | +"{t^*}[e2 x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[e2 x^ kkks]:[t^]" | +"{t^*}[e2 x^ kkks]:[t^]" + "" ->{0.0003} "[t^ e2 x^]:[kkks t^]" + "" | +"{x^*}[kkks i.1]:[e2l t^]:[i.1]:[t^ kkkr]" + "" ->{0.0003} "[x^ kkks i.1 e2l t^ i.1 t^ kkkr]" + "" + "" + "" + "" | +"{x^*}[kkks i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" | +"{x^*}[kkks i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" | +"{t^*}[kk x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kk x^ kkks]:[t^]" | +"{t^*}[kk x^ kkks]:[t^]" + "" ->{0.0003} "[t^ kk x^]:[kkks t^]" + "" | +"{x^*}[kkks i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" + "" ->{0.0003} "[x^ kkks i.2 kkpl t^ i.2 t^ kkksr]" + "" + "" + "" + "" | +"{x^*}[kkks i.1]:[e2l t^]:[i.1]:[t^ kkkr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.1]:[e2l t^]:[i.1]:[t^ kkkr]" | +"{t^*}[kkp x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkp x^]:[kkks]{t^*}" | +"[t^ kkp x^]:[kkks]{t^*}" + "" ->{0.0003} "[t^ kkp x^]:[kkks t^]" + "" | +"{x^*}[kkks i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" + "" ->{0.0003} "[x^ kkks i.3 kkppl t^ i.3 t^ kkksr]" + "" + "" + "" + "" | +"{x^*}[kkks i.1]:[e2l t^]:[i.1]:[t^ kkkr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.1]:[e2l t^]:[i.1]:[t^ kkkr]" | +"{x^*}[kkks i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.2]:[kkpl t^]:[i.2]:[t^ kkksr]" | +"{t^*}[kkpp x^ kkpase]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkpp x^]:[kkpase]{t^*}" | +"{t^*}[kkpp x^ k]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkpp x^]:[k]{t^*}" | +"{t^*}[kkpp x^ kp]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkpp x^]:[kp]{t^*}" | +"{t^*}[kkp x^ kkpase]{t^*}" + "" <->{0.0003}{0.1126} "[t^ kkp x^]:[kkpase]{t^*}" | +"{x^*}[kkks i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" + "" <->{0.0003}{0.1126} "[x^ kkks]:[i.3]:[kkppl t^]:[i.3]:[t^ kkksr]" | +"{t^*}[kkp x^ kkks]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkp x^ kkks]:[t^]" | +"{t^*}[kkp x^ kkks]:[t^]" + "" ->{0.0003} "[t^ kkp x^]:[kkks t^]" + "" | +"[t^ kkpp x^]:[k]{t^*}" + "" ->{0.0003} "[t^ kkpp x^]:[k t^]" + "" | +"{t^*}[kkpp x^ k]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkpp x^ k]:[t^]" | +"{t^*}[kkpp x^ k]:[t^]" + "" ->{0.0003} "[t^ kkpp x^]:[k t^]" + "" | +"{x^*}[k i.6]:[kkppl t^]:[i.6]:[t^ kpr]" + "" ->{0.0003} "[x^ k i.6 kkppl t^ i.6 t^ kpr]" + "" + "" + "" + "" | +"[t^ kpase x^]:[kp]{t^*}" + "" ->{0.0003} "[t^ kpase x^]:[kp t^]" + "" | +"[t^ kkpp x^]:[kp]{t^*}" + "" ->{0.0003} "[t^ kkpp x^]:[kp t^]" + "" | +"{t^*}[kkpp x^ kp]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkpp x^ kp]:[t^]" | +"{t^*}[kkpp x^ kp]:[t^]" + "" ->{0.0003} "[t^ kkpp x^]:[kp t^]" + "" | +"{x^*}[kp i.7]:[kkppl t^]:[i.7]:[t^ kppr]" + "" ->{0.0003} "[x^ kp i.7 kkppl t^ i.7 t^ kppr]" + "" + "" + "" + "" | +"[t^ kpase x^]:[kpp]{t^*}" + "" ->{0.0003} "[t^ kpase x^]:[kpp t^]" + "" | +"{t^*}[kpase x^ kpp]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kpase x^ kpp]:[t^]" | +"{t^*}[kpase x^ kpp]:[t^]" + "" ->{0.0003} "[t^ kpase x^]:[kpp t^]" + "" | +"{x^*}[kpp i.8]:[kpasel t^]:[i.8]:[t^ kpr]" + "" ->{0.0003} "[x^ kpp i.8 kpasel t^ i.8 t^ kpr]" + "" + "" + "" + "" | +"{x^*}[kp i.9]:[kpasel t^]:[i.9]:[t^ kr]" + "" <->{0.0003}{0.1126} "[x^ kp]:[i.9]:[kpasel t^]:[i.9]:[t^ kr]" | +"{t^*}[kpase x^ kp]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kpase x^ kp]:[t^]" | +"{t^*}[kpase x^ kp]:[t^]" + "" ->{0.0003} "[t^ kpase x^]:[kp t^]" + "" | +"{x^*}[kp i.9]:[kpasel t^]:[i.9]:[t^ kr]" + "" ->{0.0003} "[x^ kp i.9 kpasel t^ i.9 t^ kr]" + "" + "" + "" + "" | +"{x^*}[kp i.7]:[kkppl t^]:[i.7]:[t^ kppr]" + "" <->{0.0003}{0.1126} "[x^ kp]:[i.7]:[kkppl t^]:[i.7]:[t^ kppr]" | +"[t^ kkpp x^]:[kkpase]{t^*}" + "" ->{0.0003} "[t^ kkpp x^]:[kkpase t^]" + "" | +"[t^ kkp x^]:[kkpase]{t^*}" + "" ->{0.0003} "[t^ kkp x^]:[kkpase t^]" + "" | +"{t^*}[kkpp x^ kkpase]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkpp x^ kkpase]:[t^]" | +"{t^*}[kkpp x^ kkpase]:[t^]" + "" ->{0.0003} "[t^ kkpp x^]:[kkpase t^]" + "" | +"{x^*}[kkpase i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" + "" ->{0.0003} "[x^ kkpase i.4 kkpl t^ i.4 t^ kkpaser]" + "" + "" + "" + "" | +"{x^*}[kkpase i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" + "" <->{0.0003}{0.1126} "[x^ kkpase]:[i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" | +"{t^*}[kkp x^ kkpase]{t^*}" + "" <->{0.0003}{0.1126} "{t^*}[kkp x^ kkpase]:[t^]" | +"{t^*}[kkp x^ kkpase]:[t^]" + "" ->{0.0003} "[t^ kkp x^]:[kkpase t^]" + "" | +"{x^*}[kkpase i.5]:[kkl t^]:[i.5]:[t^ kkpaser]" + "" ->{0.0003} "[x^ kkpase i.5 kkl t^ i.5 t^ kkpaser]" + "" + "" + "" + "" | +"{x^*}[kkpase i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" + "" <->{0.0003}{0.1126} "[x^ kkpase]:[i.4]:[kkpl t^]:[i.4]:[t^ kkpaser]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Mapk.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Mapk.dna new file mode 100644 index 0000000..d927189 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Mapk.dna @@ -0,0 +1,44 @@ +directive duration 20000.0 points 1000 +directive plot ; ; ; +; ; ; ; +directive scale 10.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Init = 50 +def Low = 1 +def Excess = 100 + +new x@ bind,unbind +new t@ bind,unbind + +def SpeciesL(N,al,a) = N * +def SpeciesR(N,a,ar) = N * +def BinaryLRxLR(N,al,a,b,br,cl,c,d,dr) = (* A + B ->{N} C + D *) + new i + ( constant N * {t^*}:[a x^ b]:{t^*} + | constant N * Excess * {x^*}:[b i]:[cl t^]:[i]:[t^ dr] + ) + +new e1l new e1 new kkk new kkkr new kkl new kk new k new kr +new e2l new e2 new kkpase new kkpaser new kpasel new kpase +new kkks new kkksr new kkpl new kkp new kkppl new kkpp +new kp new kpr new kpp new kppr + +( SpeciesL(1,e1l,e1) (* E1 *) +| SpeciesR(10,kkk,kkkr) (* 10 KKK *) +| SpeciesL(100,kkl,kk) (* 100 KK *) +| SpeciesR(100,k,kr) (* 100 K *) +| SpeciesL(1,e2l,e2) (* E2 *) +| SpeciesR(1,kkpase,kkpaser) (* KKPase *) +| SpeciesL(1,kpasel,kpase) (* KPase *) +| BinaryLRxLR(Init,e1l,e1,kkk,kkkr,e1l,e1,kkks,kkksr) (* E1 + KKK ->{r} E1 + KKKs *) +| BinaryLRxLR(Low,e2l,e2,kkks,kkksr,e2l,e2,kkk,kkkr) (* E2 + KKKs ->{r} E2 + KKK *) +| BinaryLRxLR(Init,kkl,kk,kkks,kkksr,kkpl,kkp,kkks,kkksr) (* KK + KKKs ->{r} KKP + KKKs *) +| BinaryLRxLR(Init,kkpl,kkp,kkks,kkksr,kkppl,kkpp,kkks,kkksr) (* KKP + KKKs ->{r} KKPP + KKKs *) +| BinaryLRxLR(Low,kkppl,kkpp,kkpase,kkpaser,kkpl,kkp,kkpase,kkpaser) (* KKPP + KKPase ->{r} KKP + KKPase *) +| BinaryLRxLR(Low,kkpl,kkp,kkpase,kkpaser,kkl,kk,kkpase,kkpaser) (* KKP + KKPase ->{r} KK + KKPase *) +| BinaryLRxLR(Init,kkppl,kkpp,k,kr,kkppl,kkpp,kp,kpr) (* KKPP + K ->{r} KKPP + KP *) +| BinaryLRxLR(Init,kkppl,kkpp,kp,kpr,kkppl,kkpp,kpp,kppr) (* KKPP + KP ->{r} KKPP + KPP *) +| BinaryLRxLR(Low,kpasel,kpase,kpp,kppr,kpasel,kpase,kp,kpr) (* KPase + KPP ->{r} KPase + KP *) +| BinaryLRxLR(Low,kpasel,kpase,kp,kpr,kpasel,kpase,k,kr) (* KPase + KP ->{r} KPase + K *) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Migrations.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Migrations.crn new file mode 100644 index 0000000..734ac98 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Migrations.crn @@ -0,0 +1,13 @@ +directive sample 0.0,1.0 1000 + +init "[a1]:[a2 a3]" 1000.0 | +init "[a1 a2 a3]" 0.0 | +init "" 0.0 | +init "[b1]:[b2]:[b3]" 1000.0 | +init "[b1 b2]:[b3]" 0.0 | +init "[b1 b2 b3]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[a1]:[a2 a3]" ->{(8000.0 / 1600.0)} "[a1 a2 a3]" + "" | +"[b1]:[b2]:[b3]" ->{(8000.0 / 400.0)} "[b1 b2]:[b3]" + "" | +"[b1 b2]:[b3]" ->{(8000.0 / 400.0)} "[b1 b2 b3]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Migrations.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Migrations.dna new file mode 100644 index 0000000..2358636 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Migrations.dna @@ -0,0 +1,6 @@ +(* Example demonstrating the branch migration rate *) +directive compilation detailed +directive duration 1.0 points 1000 +( 1000 * [a1]:[a2 a3] +| 1000 * [b1]:[b2]:[b3] +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate With Nicks.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate With Nicks.crn new file mode 100644 index 0000000..6d24392 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate With Nicks.crn @@ -0,0 +1,30 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c = 50.0 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init "{T^*}[Ba]:[Bb T^]" 1.0 | +init "{T^*}[Aa]:[Ab T^]" 1.0 | +init "{T^*}[Ca Cb]" 1.0 | +init "" in1 | +init "[T^ Aa Ab]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ca Cb]" 0.0 | +init "" 0.0 | +init "" in2 | +init "[T^ Ba Bb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ca Cb]" 0.0 | +"{T^*}[Aa]:[Ab T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]{T^*}" + "" + "" | +"{T^*}[Ca Cb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ca Cb]" + "" | +"{T^*}[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Ba Bb]{T^*}" + "" + "" | +"[T^ Ca Cb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ Ca Cb]" + "" | +"{T^*}[Ca Cb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ca Cb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate With Nicks.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate With Nicks.dna new file mode 100644 index 0000000..89a26bf --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate With Nicks.dna @@ -0,0 +1,33 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( + in1*STRAND(T, Aa, Ab) +| in2*STRAND(T, Ba, Bb) +| OR(T, Aa, Ab, T, Ba, Bb, T, Ca, Cb) +| REPORTER(T, Ca, Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate.crn new file mode 100644 index 0000000..b8167fc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate.crn @@ -0,0 +1,27 @@ +directive sample 0.0,18000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init "{T^*}[B T^]" 1.0 | +init "{T^*}[A T^]" 1.0 | +init "{T^*}[C]" 1.0 | +init "" in1 | +init "[T^ A]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ C]" 0.0 | +init "" 0.0 | +init "" in2 | +init "[T^ B]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ C]" 0.0 | +"{T^*}[C]" + "" ->{(c0 * 5E-05)} "[T^ C]" + "" | +"{T^*}[A T^]" + "" <->{(c0 * 5E-05)}{(c0 * 5E-05)} "[T^ A]{T^*}" + "" | +"{T^*}[C]" + "" ->{(c0 * 5E-05)} "[T^ C]" + "" | +"{T^*}[B T^]" + "" <->{(c0 * 5E-05)}{(c0 * 5E-05)} "[T^ B]{T^*}" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate.dna new file mode 100644 index 0000000..8ba805f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Gate.dna @@ -0,0 +1,31 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, s) = +def OR (Ti1, Input1, Ti2, Input2, To, Output) = ({Ti1^*}[Input1 To^] + | {Ti2^*}[Input2 To^]) +def REPORTER (Ti, Input) = {Ti^*}[Input] + +new T@ c0 * bind, unbind + +( + in1 * STRAND(T, A) +| in2 * STRAND(T, B) +| OR (T, A, T, B, T, C) +| REPORTER (T, C) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Of ANDs.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Of ANDs.crn new file mode 100644 index 0000000..0b01952 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Of ANDs.crn @@ -0,0 +1,53 @@ +directive sample 0.0,720.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ c = 50.0 ] +directive sweep sweep_1 = + { c = [50.0, 500.0, 5000.0, 50000.0, 500000.0, 5000000.0] } + +init "{T^*}[Ca]:[Cb T^]:[Da]:[Db T^]" 1.0 | +init "{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" 1.0 | +init "{T^*}[Fa]:[Fb T^]" 1.0 | +init "{T^*}[Ea]:[Eb T^]" 1.0 | +init "{T^*}[Ga Gb]" 1.0 | +init "" 0.0 | +init "[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" 0.0 | +init "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ Ea Eb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ga Gb]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ca Cb]{T^*}:[Da]:[Db T^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1.0 | +init "{T^*}[Ca]:[Cb T^]:[Da Db]{T^*}" 0.0 | +init "[T^ Ca Cb]:[T^ Da Db]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ Fa Fb]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ Ga Gb]" 0.0 | +init "" 0.0 | +"{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" + "" + "" | +"{T^*}[Aa]:[Ab T^]:[Ba]:[Bb T^]" + "" ->{(1E-09 * c)} "{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" + "" + "" | +"[T^ Aa Ab]{T^*}:[Ba]:[Bb T^]" + "" ->{(c * 5E-05)} "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" + "" + "" | +"{T^*}[Aa]:[Ab T^]:[Ba Bb]{T^*}" + "" ->{(c * 5E-05)} "[T^ Aa Ab]:[T^ Ba Bb]{T^*}" + "" + "" | +"{T^*}[Ea]:[Eb T^]" + "" ->{(c * 5E-05)} "[T^ Ea Eb]{T^*}" + "" + "" | +"{T^*}[Ga Gb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ga Gb]" + "" | +"{T^*}[Ca]:[Cb T^]:[Da]:[Db T^]" + "" ->{(c * 5E-05)} "[T^ Ca Cb]{T^*}:[Da]:[Db T^]" + "" + "" | +"{T^*}[Ca]:[Cb T^]:[Da]:[Db T^]" + "" ->{(1E-09 * c)} "{T^*}[Ca]:[Cb T^]:[Da Db]{T^*}" + "" + "" | +"[T^ Ca Cb]{T^*}:[Da]:[Db T^]" + "" ->{(c * 5E-05)} "[T^ Ca Cb]:[T^ Da Db]{T^*}" + "" + "" | +"{T^*}[Ca]:[Cb T^]:[Da Db]{T^*}" + "" ->{(c * 5E-05)} "[T^ Ca Cb]:[T^ Da Db]{T^*}" + "" + "" | +"{T^*}[Fa]:[Fb T^]" + "" ->{(c * 5E-05)} "[T^ Fa Fb]{T^*}" + "" + "" | +"[T^ Ga Gb]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ Ga Gb]" + "" | +"{T^*}[Ga Gb]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ Ga Gb]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Of ANDs.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Of ANDs.dna new file mode 100644 index 0000000..2393bb5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/OR Of ANDs.dna @@ -0,0 +1,45 @@ +directive duration 720.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Defining speedup factor *) +directive parameters [c = 50.0] +directive sweep c = [50.0, 500.0, 5000.0, 50000.0, 500000.0, 5000000.0] + +(* Input settings, following (Si1 AND Si2) OR (Si3 AND Si4) *) +def Si1 = 0 +def Si2 = 0 +def Si3 = 0 +def Si4 = 1 + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] +) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( + Si1*STRAND(T, Aa, Ab) +| Si2*STRAND(T, Ba, Bb) +| Si3*STRAND(T, Ca, Cb) +| Si4*STRAND(T, Da, Db) +| AND(T, Aa, Ab, T, Ba, Bb, T, Ea, Eb) +| AND(T, Ca, Cb, T, Da, Db, T, Fa, Fb) +| OR(T, Ea, Eb, T, Fa, Fb, T, Ga, Gb) +| REPORTER(T, Ga, Gb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Oscillating.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Oscillating.crn new file mode 100644 index 0000000..d455f1b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Oscillating.crn @@ -0,0 +1,319 @@ +directive sample 0.0,500000.0 1000 +directive plot ("" + "" +""); ("" + "" + ""); ("
"+""+""); (""+""+"") +directive scale 100.0 + +init "" 3.0 | +init "" 2.0 | +init "
" 2.0 | +init "{tB^*}[B tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 100.0 | +init "" 100.0 | +init "[B]{tp^*}" 100.0 | +init "[p]:[tq^ d]:[td^ q]{ta^*}" 100.0 | +init "" 100.0 | +init "{td^*}[q]" 100.0 | +init "{tq^*}[d]" 100.0 | +init "" 1.0 | +init "[tB^ B]:[tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:

" 0.0 | +init "[p tq^]:[d td^]:[q ta^]" 0.0 | +init "

" 0.0 | +init "" 0.0 | +init "[B tp^]" 0.0 | +init "" 0.0 | +init "{tB.7^*}[B.8 tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 100.0 | +init "" 100.0 | +init "[B.8]{tq^*}" 100.0 | +init "[q]:[tr^ d.6]:[td.5^ r]{ta.1^*}" 100.0 | +init "" 100.0 | +init "{td.5^*}[r]" 100.0 | +init "{tr^*}[d.6]" 100.0 | +init "" 1.0 | +init "[tB.7^ B.8]:[tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:


[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "" 0.0 | +init "[q]:[tr^ d.6]:[td.5^ r]:[ta.1^]" 0.0 | +init "[q]:[tr^ d.6]{td.5^*}:[r ta.1^]" 0.0 | +init "[q]:[tr^ d.6]:[td.5^]:[r ta.1^]" 0.0 | +init "[q]{tr^*}:[d.6 td.5^]:[r ta.1^]" 0.0 | +init "" 0.0 | +init "[tr^ d.6]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td.5^ r]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[q tr^]:[d.6 td.5^]:[r ta.1^]" 0.0 | +init "[tB.7^ B.8]:
[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:
[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" 0.0 | +init "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" 0.0 | +init "" 0.0 | +init "[B.8 tq^]" 0.0 | +init "" 0.0 | +init "{tB.15^*}[B.16 tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 100.0 | +init "" 100.0 | +init "[B.16]{tr^*}" 100.0 | +init "[r]:[tp^ d.14]:[td.13^ p]{ta.9^*}" 100.0 | +init "" 100.0 | +init "{td.13^*}[p]" 100.0 | +init "{tp^*}[d.14]" 100.0 | +init "" 1.0 | +init "[tB.15^ B.16]:[tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "

" 0.0 | +init "[r]:[tp^ d.14]:[td.13^ p]:

[ta.9^]" 0.0 | +init "[r]:[tp^ d.14]{td.13^*}:[p ta.9^]" 0.0 | +init "[r]:[tp^ d.14]:[td.13^]:[p ta.9^]" 0.0 | +init "[r]{tp^*}:[d.14 td.13^]:[p ta.9^]" 0.0 | +init "" 0.0 | +init "[tp^ d.14]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td.13^ p]" 0.0 | +init "" 0.0 | +init "[r tp^]:[d.14 td.13^]:[p ta.9^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" 0.0 | +init "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" 0.0 | +init "" 0.0 | +init "[B.16 tr^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[p]:[tq^ d]:[td^ q]{ta^*}" + "" <->{0.0003}{0.1126} "[p]:[tq^ d]:[td^ q]:[ta^]" | +"[p]:[tq^ d]{td^*}:[q ta^]" + "" <->{0.0003}{0.1126} "[p]:[tq^ d]:[td^]:[q ta^]" | +"{tq^*}[d]" + "" ->{0.0003} "[tq^ d]" + "" | +"[p]:[tq^ d]:[td^]:[q ta^]" <->{0.1126}{0.0003} "[p]{tq^*}:[d td^]:[q ta^]" + "" | +"{td^*}[q]" + "" ->{0.0003} "[td^ q]" + "" | +"[p]:[tq^ d]:[td^ q]:[ta^]" <->{0.1126}{0.0003} "[p]:[tq^ d]{td^*}:[q ta^]" + "" | +"[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "

" | +"[p]{tq^*}:[d td^]:[q ta^]" + "

" ->{0.0003} "[p tq^]:[d td^]:[q ta^]" + "

" | +"[B]{tp^*}" + "" ->{0.0003} "[B tp^]" + "" | +"[tB^ B]:[tp^]:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" | +"{tB.7^*}[B.8 tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "


" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[q]:[tr^ d.6]:[td.5^ r]{ta.1^*}" + "" <->{0.0003}{0.1126} "[q]:[tr^ d.6]:[td.5^ r]:[ta.1^]" | +"[q]:[tr^ d.6]{td.5^*}:[r ta.1^]" + "" <->{0.0003}{0.1126} "[q]:[tr^ d.6]:[td.5^]:[r ta.1^]" | +"{tr^*}[d.6]" + "" ->{0.0003} "[tr^ d.6]" + "" | +"[q]:[tr^ d.6]:[td.5^]:[r ta.1^]" <->{0.1126}{0.0003} "[q]{tr^*}:[d.6 td.5^]:[r ta.1^]" + "" | +"{td.5^*}[r]" + "" ->{0.0003} "[td.5^ r]" + "" | +"[q]:[tr^ d.6]:[td.5^ r]:[ta.1^]" <->{0.1126}{0.0003} "[q]:[tr^ d.6]{td.5^*}:[r ta.1^]" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[q]{tr^*}:[d.6 td.5^]:[r ta.1^]" + "" ->{0.0003} "[q tr^]:[d.6 td.5^]:[r ta.1^]" + "" | +"[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "
" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "
" <->{0.0003}{0.1126} "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:
[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:
[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:
[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:
[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "
" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:
[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:
[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[tB.7^ B.8]:[tq^ q]{tr^*}:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" <->{0.0003}{0.1126} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" ->{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^ a.2 tr^ b.3 tr^ c.4 tB.7^]" + "" + "" + "" | +"[tB.7^ B.8]:[tq^ q]:[tr^ r]:[ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]:[tq^ q]:[tr^ r]{ta.1^*}:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"[B.8]{tq^*}" + "" ->{0.0003} "[B.8 tq^]" + "" | +"[tB.7^ B.8]:[tq^]:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" <->{0.1126}{0.0003} "[tB.7^ B.8]{tq^*}:[q tr^]:[r ta.1^]:[a.2 tr^]:[b.3 tr^]:[c.4 tB.7^]" + "" | +"{tB.15^*}[B.16 tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "


" <->{0.0003}{0.1126} "[tB.15^ B.16]:
[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB^ B]{tp^*}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:
[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:


[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:


[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[r]:[tp^ d.14]:[td.13^ p]{ta.9^*}" + "

" <->{0.0003}{0.1126} "[r]:[tp^ d.14]:[td.13^ p]:

[ta.9^]" | +"[r]:[tp^ d.14]{td.13^*}:[p ta.9^]" + "" <->{0.0003}{0.1126} "[r]:[tp^ d.14]:[td.13^]:[p ta.9^]" | +"{tp^*}[d.14]" + "" ->{0.0003} "[tp^ d.14]" + "" | +"[r]:[tp^ d.14]:[td.13^]:[p ta.9^]" <->{0.1126}{0.0003} "[r]{tp^*}:[d.14 td.13^]:[p ta.9^]" + "" | +"{td.13^*}[p]" + "" ->{0.0003} "[td.13^ p]" + "

" | +"[r]:[tp^ d.14]:[td.13^ p]:

[ta.9^]" <->{0.1126}{0.0003} "[r]:[tp^ d.14]{td.13^*}:[p ta.9^]" + "" | +"[tB.15^ B.16]:


[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:


[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" | +"[r]{tp^*}:[d.14 td.13^]:[p ta.9^]" + "" ->{0.0003} "[r tp^]:[d.14 td.13^]:[p ta.9^]" + "" | +"[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[tB.15^ B.16]:[tr^ r]{tp^*}:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" <->{0.0003}{0.1126} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" ->{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]:[ta.9^ a.10 tp^ b.11 tp^ c.12 tB.15^]" + "" + "" + "" | +"[tB.15^ B.16]:[tr^ r]:[tp^ p]:

[ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]:[tr^ r]:[tp^ p]{ta.9^*}:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "

" | +"[B.16]{tr^*}" + "" ->{0.0003} "[B.16 tr^]" + "" | +"[tB.15^ B.16]:[tr^]:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" <->{0.1126}{0.0003} "[tB.15^ B.16]{tr^*}:[r tp^]:[p ta.9^]:[a.10 tp^]

:[b.11 tp^]

:[c.12 tB.15^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Oscillating.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Oscillating.dna new file mode 100644 index 0000000..9027e52 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Oscillating.dna @@ -0,0 +1,31 @@ +directive duration 500000.0 points 1000 +directive plot sum(<_ tp^ p>); sum(<_ tq^ q>); sum(<_ tr^ r>); +sum(); [tB^ B]:{tp^}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^] +directive scale 100.0 + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tp@bind,unbind +new tq@bind,unbind +new tr@bind,unbind + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * ) + +( BJ2x2(Buff,1, tp,p, tq,q, tq,q, tq,q) +| BJ2x2(Buff,1, tq,q, tr,r, tr,r, tr,r) +| BJ2x2(Buff,1, tr,r, tp,p, tp,p, tp,p) +| 3 * +| 2 * +| 2 *


+) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Qian And Winfree 4 Bit Square Root Circuit.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Qian And Winfree 4 Bit Square Root Circuit.crn new file mode 100644 index 0000000..73e329f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Qian And Winfree 4 Bit Square Root Circuit.crn @@ -0,0 +1,446 @@ +directive sample 0.0,36000.0 10000 +directive plot ""; ""; ""; "" +directive scale 20.0 + +init "{t^*}[S20L^ S20 S20R^ t^]" 100.0 | +init "{t^*}[S21L^ S21 S21R^ t^]" 50.0 | +init "{t^*}[S21L^ S21 S21R^ t^]" 50.0 | +init "{t^*}[S22L^ S22 S22R^ t^]" 100.0 | +init "{t^*}[S23L^ S23 S23R^ t^]" 50.0 | +init "{t^*}[S23L^ S23 S23R^ t^]" 50.0 | +init "{t^*}[S28L^ S28 S28R^ t^]" 100.0 | +init "{t^*}[S29L^ S29 S29R^ t^]" 50.0 | +init "{t^*}[S30L^ S30 S30R^ t^]" 100.0 | +init "{t^*}[S31L^ S31 S31R^ t^]" 50.0 | +init "{t^*}[S32L^ S32 S32R^ t^]" 100.0 | +init "{t^*}[S33L^ S33 S33R^ t^]" 50.0 | +init "{t^*}[S34L^ S34 S34R^ t^]" 100.0 | +init "{t^*}[S35L^ S35 S35R^ t^]" 50.0 | +init "{t^*}[S36L^ S36 S36R^ t^]" 150.0 | +init "{t^*}[S37L^ S37 S37R^ t^]" 50.0 | +init "{t^*}[S38L^ S38 S38R^ t^]" 150.0 | +init "{t^*}[S39L^ S39 S39R^ t^]" 50.0 | +init "{t^*}[S40L^ S40 S40R^ t^]" 100.0 | +init "{t^*}[S41L^ S41 S41R^ t^]" 50.0 | +init "{t^*}[S42L^ S42 S42R^ t^]" 100.0 | +init "{t^*}[S43L^ S43 S43R^ t^]" 50.0 | +init "{t^*}[S44L^ S44 S44R^ t^]" 100.0 | +init "{t^*}[S45L^ S45 S45R^ t^]" 50.0 | +init "{t^*}[S46L^ S46 S46R^ t^]" 100.0 | +init "{t^*}[S47L^ S47 S47R^ t^]" 50.0 | +init "{t^*}[S13L^ S13 S13R^ t^]" 50.0 | +init "{t^*}[S13L^ S13 S13R^ t^]" 50.0 | +init "{t^*}[S13L^ S13 S13R^ t^]" 50.0 | +init "{t^*}[S15L^ S15 S15R^ t^]" 50.0 | +init "{t^*}[S15L^ S15 S15R^ t^]" 50.0 | +init "{t^*}[S15L^ S15 S15R^ t^]" 50.0 | +init "{t^*}[S17L^ S17 S17R^ t^]" 50.0 | +init "{t^*}[S17L^ S17 S17R^ t^]" 50.0 | +init "{t^*}[S17L^ S17 S17R^ t^]" 50.0 | +init "{t^*}[S19L^ S19 S19R^ t^]" 50.0 | +init "{t^*}[S19L^ S19 S19R^ t^]" 50.0 | +init "{t^*}[S19L^ S19 S19R^ t^]" 50.0 | +init "{t^*}[S48L^ S48 S48R^]" 75.0 | +init "{t^*}[S50L^ S50 S50R^]" 75.0 | +init "{t^*}[S52L^ S52 S52R^]" 75.0 | +init "{t^*}[S54L^ S54 S54R^]" 75.0 | +init "" 45.0 | +init "[t^ S22L^ S22 S22R^]:[t^]" 0.0 | +init "[t^ S22L^ S22 S22R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S23L^ S23 S23R^]:[t^]" 0.0 | +init "[t^ S23L^ S23 S23R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S36L^ S36 S36R^]:[t^]" 0.0 | +init "[t^ S36L^ S36 S36R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S37L^ S37 S37R^]:[t^]" 0.0 | +init "[t^ S37L^ S37 S37R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S46L^ S46 S46R^]:[t^]" 0.0 | +init "[t^ S46L^ S46 S46R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S47L^ S47 S47R^]:[t^]" 0.0 | +init "[t^ S47L^ S47 S47R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S54L^ S54 S54R^]" 0.0 | +init "" 0.0 | +init "[t^ S23L^ S23 S23R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S42L^ S42 S42R^]:[t^]" 0.0 | +init "[t^ S42L^ S42 S42R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S43L^ S43 S43R^]:[t^]" 0.0 | +init "[t^ S43L^ S43 S43R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S44L^ S44 S44R^]:[t^]" 0.0 | +init "[t^ S44L^ S44 S44R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S45L^ S45 S45R^]:[t^]" 0.0 | +init "[t^ S45L^ S45 S45R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S52L^ S52 S52R^]" 0.0 | +init "" 0.0 | +init "" 5.0 | +init "[t^ S20L^ S20 S20R^]:[t^]" 0.0 | +init "[t^ S20L^ S20 S20R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S21L^ S21 S21R^]:[t^]" 0.0 | +init "[t^ S21L^ S21 S21R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S38L^ S38 S38R^]:[t^]" 0.0 | +init "[t^ S38L^ S38 S38R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S39L^ S39 S39R^]:[t^]" 0.0 | +init "[t^ S39L^ S39 S39R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S44L^ S44 S44R^]:[t^]" 0.0 | +init "[t^ S44L^ S44 S44R^]{t^*}" 0.0 | +init "[t^ S21L^ S21 S21R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S40L^ S40 S40R^]:[t^]" 0.0 | +init "[t^ S40L^ S40 S40R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S41L^ S41 S41R^]:[t^]" 0.0 | +init "[t^ S41L^ S41 S41R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S46L^ S46 S46R^]:[t^]" 0.0 | +init "[t^ S46L^ S46 S46R^]{t^*}" 0.0 | +init "" 45.0 | +init "[t^ S22L^ S22 S22R^]:[t^]" 0.0 | +init "[t^ S22L^ S22 S22R^]{t^*}" 0.0 | +init "" 5.0 | +init "[t^ S20L^ S20 S20R^]:[t^]" 0.0 | +init "[t^ S20L^ S20 S20R^]{t^*}" 0.0 | +init "" 5.0 | +init "[t^ S13L^ S13 S13R^]:[t^]" 0.0 | +init "[t^ S13L^ S13 S13R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S28L^ S28 S28R^]:[t^]" 0.0 | +init "[t^ S28L^ S28 S28R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S29L^ S29 S29R^]:[t^]" 0.0 | +init "[t^ S29L^ S29 S29R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S40L^ S40 S40R^]:[t^]" 0.0 | +init "[t^ S40L^ S40 S40R^]{t^*}" 0.0 | +init "[t^ S13L^ S13 S13R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S32L^ S32 S32R^]:[t^]" 0.0 | +init "[t^ S32L^ S32 S32R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S33L^ S33 S33R^]:[t^]" 0.0 | +init "[t^ S33L^ S33 S33R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S48L^ S48 S48R^]" 0.0 | +init "" 0.0 | +init "[t^ S13L^ S13 S13R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S38L^ S38 S38R^]:[t^]" 0.0 | +init "[t^ S38L^ S38 S38R^]{t^*}" 0.0 | +init "" 45.0 | +init "[t^ S15L^ S15 S15R^]:[t^]" 0.0 | +init "[t^ S15L^ S15 S15R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S30L^ S30 S30R^]:[t^]" 0.0 | +init "[t^ S30L^ S30 S30R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S31L^ S31 S31R^]:[t^]" 0.0 | +init "[t^ S31L^ S31 S31R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S42L^ S42 S42R^]:[t^]" 0.0 | +init "[t^ S42L^ S42 S42R^]{t^*}" 0.0 | +init "[t^ S15L^ S15 S15R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S34L^ S34 S34R^]:[t^]" 0.0 | +init "[t^ S34L^ S34 S34R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S35L^ S35 S35R^]:[t^]" 0.0 | +init "[t^ S35L^ S35 S35R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S50L^ S50 S50R^]" 0.0 | +init "" 0.0 | +init "[t^ S15L^ S15 S15R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S36L^ S36 S36R^]:[t^]" 0.0 | +init "[t^ S36L^ S36 S36R^]{t^*}" 0.0 | +init "" 45.0 | +init "[t^ S17L^ S17 S17R^]:[t^]" 0.0 | +init "[t^ S17L^ S17 S17R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S30L^ S30 S30R^]:[t^]" 0.0 | +init "[t^ S30L^ S30 S30R^]{t^*}" 0.0 | +init "[t^ S17L^ S17 S17R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S32L^ S32 S32R^]:[t^]" 0.0 | +init "[t^ S32L^ S32 S32R^]{t^*}" 0.0 | +init "[t^ S17L^ S17 S17R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S38L^ S38 S38R^]:[t^]" 0.0 | +init "[t^ S38L^ S38 S38R^]{t^*}" 0.0 | +init "" 5.0 | +init "[t^ S19L^ S19 S19R^]:[t^]" 0.0 | +init "[t^ S19L^ S19 S19R^]{t^*}" 0.0 | +init "" 0.0 | +init "[t^ S28L^ S28 S28R^]:[t^]" 0.0 | +init "[t^ S28L^ S28 S28R^]{t^*}" 0.0 | +init "[t^ S19L^ S19 S19R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S34L^ S34 S34R^]:[t^]" 0.0 | +init "[t^ S34L^ S34 S34R^]{t^*}" 0.0 | +init "[t^ S19L^ S19 S19R^]:[t^]" 0.0 | +init "" 0.0 | +init "[t^ S36L^ S36 S36R^]:[t^]" 0.0 | +init "[t^ S36L^ S36 S36R^]{t^*}" 0.0 | +init "" 200.0 | +init "[t^ S21L^ S21 S21R^]:[t^]" 0.0 | +init "{t^*}[S21L^ S21 S21R^ t^]" 0.0 | +init "" 200.0 | +init "[t^ S23L^ S23 S23R^]:[t^]" 0.0 | +init "{t^*}[S23L^ S23 S23R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S29L^ S29 S29R^]:[t^]" 0.0 | +init "{t^*}[S29L^ S29 S29R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S31L^ S31 S31R^]:[t^]" 0.0 | +init "{t^*}[S31L^ S31 S31R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S33L^ S33 S33R^]:[t^]" 0.0 | +init "{t^*}[S33L^ S33 S33R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S35L^ S35 S35R^]:[t^]" 0.0 | +init "{t^*}[S35L^ S35 S35R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S37L^ S37 S37R^]:[t^]" 0.0 | +init "{t^*}[S37L^ S37 S37R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S39L^ S39 S39R^]:[t^]" 0.0 | +init "{t^*}[S39L^ S39 S39R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S41L^ S41 S41R^]:[t^]" 0.0 | +init "{t^*}[S41L^ S41 S41R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S43L^ S43 S43R^]:[t^]" 0.0 | +init "{t^*}[S43L^ S43 S43R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S45L^ S45 S45R^]:[t^]" 0.0 | +init "{t^*}[S45L^ S45 S45R^ t^]" 0.0 | +init "" 100.0 | +init "[t^ S47L^ S47 S47R^]:[t^]" 0.0 | +init "{t^*}[S47L^ S47 S47R^ t^]" 0.0 | +init "" 300.0 | +init "[t^ S13L^ S13 S13R^]:[t^]" 0.0 | +init "{t^*}[S13L^ S13 S13R^ t^]" 0.0 | +init "" 300.0 | +init "[t^ S15L^ S15 S15R^]:[t^]" 0.0 | +init "{t^*}[S15L^ S15 S15R^ t^]" 0.0 | +init "" 300.0 | +init "[t^ S17L^ S17 S17R^]:[t^]" 0.0 | +init "{t^*}[S17L^ S17 S17R^ t^]" 0.0 | +init "" 300.0 | +init "[t^ S19L^ S19 S19R^]:[t^]" 0.0 | +init "{t^*}[S19L^ S19 S19R^ t^]" 0.0 | +init "{S20R^* t^*}[S21L^ S21 S21R^]" 30.0 | +init "[S20R^ t^ S21L^ S21 S21R^]" 0.0 | +init "" 0.0 | +init "{S22R^* t^*}[S23L^ S23 S23R^]" 60.0 | +init "[S22R^ t^ S23L^ S23 S23R^]" 0.0 | +init "" 0.0 | +init "{S28R^* t^*}[S29L^ S29 S29R^]" 30.0 | +init "[S28R^ t^ S29L^ S29 S29R^]" 0.0 | +init "" 0.0 | +init "{S30R^* t^*}[S31L^ S31 S31R^]" 60.0 | +init "[S30R^ t^ S31L^ S31 S31R^]" 0.0 | +init "" 0.0 | +init "{S32R^* t^*}[S33L^ S33 S33R^]" 60.0 | +init "[S32R^ t^ S33L^ S33 S33R^]" 0.0 | +init "" 0.0 | +init "{S34R^* t^*}[S35L^ S35 S35R^]" 30.0 | +init "[S34R^ t^ S35L^ S35 S35R^]" 0.0 | +init "" 0.0 | +init "{S36R^* t^*}[S37L^ S37 S37R^]" 110.0 | +init "[S36R^ t^ S37L^ S37 S37R^]" 0.0 | +init "" 0.0 | +init "{S38R^* t^*}[S39L^ S39 S39R^]" 30.0 | +init "[S38R^ t^ S39L^ S39 S39R^]" 0.0 | +init "" 0.0 | +init "{S40R^* t^*}[S41L^ S41 S41R^]" 60.0 | +init "[S40R^ t^ S41L^ S41 S41R^]" 0.0 | +init "" 0.0 | +init "{S42R^* t^*}[S43L^ S43 S43R^]" 30.0 | +init "[S42R^ t^ S43L^ S43 S43R^]" 0.0 | +init "" 0.0 | +init "{S44R^* t^*}[S45L^ S45 S45R^]" 60.0 | +init "[S44R^ t^ S45L^ S45 S45R^]" 0.0 | +init "" 0.0 | +init "{S46R^* t^*}[S47L^ S47 S47R^]" 30.0 | +init "[S46R^ t^ S47L^ S47 S47R^]" 0.0 | +init "" 0.0 | +init "{S12R^* t^*}[S13L^ S13 S13R^]" 10.0 | +init "[S12R^ t^ S13L^ S13 S13R^]" 0.0 | +init "" 0.0 | +init "{S14R^* t^*}[S15L^ S15 S15R^]" 10.0 | +init "[S14R^ t^ S15L^ S15 S15R^]" 0.0 | +init "" 0.0 | +init "{S16R^* t^*}[S17L^ S17 S17R^]" 10.0 | +init "[S16R^ t^ S17L^ S17 S17R^]" 0.0 | +init "" 0.0 | +init "{S18R^* t^*}[S19L^ S19 S19R^]" 10.0 | +init "[S18R^ t^ S19L^ S19 S19R^]" 0.0 | +init "" 0.0 | +"{t^*}[S22L^ S22 S22R^ t^]" + "" <->{5E-05}{26.0} "[t^ S22L^ S22 S22R^]:[t^]" | +"[t^ S22L^ S22 S22R^]:[t^]" <->{26.0}{5E-05} "[t^ S22L^ S22 S22R^]{t^*}" + "" | +"{t^*}[S23L^ S23 S23R^ t^]" + "" <->{5E-05}{26.0} "[t^ S23L^ S23 S23R^]:[t^]" | +"[t^ S23L^ S23 S23R^]:[t^]" <->{26.0}{5E-05} "[t^ S23L^ S23 S23R^]{t^*}" + "" | +"{t^*}[S36L^ S36 S36R^ t^]" + "" <->{5E-05}{26.0} "[t^ S36L^ S36 S36R^]:[t^]" | +"[t^ S36L^ S36 S36R^]:[t^]" <->{26.0}{5E-05} "[t^ S36L^ S36 S36R^]{t^*}" + "" | +"{t^*}[S37L^ S37 S37R^ t^]" + "" <->{5E-05}{26.0} "[t^ S37L^ S37 S37R^]:[t^]" | +"[t^ S37L^ S37 S37R^]:[t^]" <->{26.0}{5E-05} "[t^ S37L^ S37 S37R^]{t^*}" + "" | +"{t^*}[S46L^ S46 S46R^ t^]" + "" <->{5E-05}{26.0} "[t^ S46L^ S46 S46R^]:[t^]" | +"[t^ S46L^ S46 S46R^]:[t^]" <->{26.0}{5E-05} "[t^ S46L^ S46 S46R^]{t^*}" + "" | +"{t^*}[S47L^ S47 S47R^ t^]" + "" <->{5E-05}{26.0} "[t^ S47L^ S47 S47R^]:[t^]" | +"{t^*}[S54L^ S54 S54R^]" + "" ->{5E-05} "[t^ S54L^ S54 S54R^]" + "" | +"[t^ S47L^ S47 S47R^]:[t^]" <->{26.0}{5E-05} "[t^ S47L^ S47 S47R^]{t^*}" + "" | +"{t^*}[S23L^ S23 S23R^ t^]" + "" <->{5E-05}{26.0} "[t^ S23L^ S23 S23R^]:[t^]" | +"[t^ S23L^ S23 S23R^]:[t^]" <->{26.0}{5E-05} "[t^ S23L^ S23 S23R^]{t^*}" + "" | +"{t^*}[S42L^ S42 S42R^ t^]" + "" <->{5E-05}{26.0} "[t^ S42L^ S42 S42R^]:[t^]" | +"[t^ S42L^ S42 S42R^]:[t^]" <->{26.0}{5E-05} "[t^ S42L^ S42 S42R^]{t^*}" + "" | +"{t^*}[S43L^ S43 S43R^ t^]" + "" <->{5E-05}{26.0} "[t^ S43L^ S43 S43R^]:[t^]" | +"[t^ S43L^ S43 S43R^]:[t^]" <->{26.0}{5E-05} "[t^ S43L^ S43 S43R^]{t^*}" + "" | +"{t^*}[S44L^ S44 S44R^ t^]" + "" <->{5E-05}{26.0} "[t^ S44L^ S44 S44R^]:[t^]" | +"[t^ S44L^ S44 S44R^]:[t^]" <->{26.0}{5E-05} "[t^ S44L^ S44 S44R^]{t^*}" + "" | +"{t^*}[S45L^ S45 S45R^ t^]" + "" <->{5E-05}{26.0} "[t^ S45L^ S45 S45R^]:[t^]" | +"{t^*}[S52L^ S52 S52R^]" + "" ->{5E-05} "[t^ S52L^ S52 S52R^]" + "" | +"[t^ S45L^ S45 S45R^]:[t^]" <->{26.0}{5E-05} "[t^ S45L^ S45 S45R^]{t^*}" + "" | +"{t^*}[S20L^ S20 S20R^ t^]" + "" <->{5E-05}{26.0} "[t^ S20L^ S20 S20R^]:[t^]" | +"[t^ S20L^ S20 S20R^]:[t^]" <->{26.0}{5E-05} "[t^ S20L^ S20 S20R^]{t^*}" + "" | +"{t^*}[S21L^ S21 S21R^ t^]" + "" <->{5E-05}{26.0} "[t^ S21L^ S21 S21R^]:[t^]" | +"[t^ S21L^ S21 S21R^]:[t^]" <->{26.0}{5E-05} "[t^ S21L^ S21 S21R^]{t^*}" + "" | +"{t^*}[S38L^ S38 S38R^ t^]" + "" <->{5E-05}{26.0} "[t^ S38L^ S38 S38R^]:[t^]" | +"[t^ S38L^ S38 S38R^]:[t^]" <->{26.0}{5E-05} "[t^ S38L^ S38 S38R^]{t^*}" + "" | +"{t^*}[S39L^ S39 S39R^ t^]" + "" <->{5E-05}{26.0} "[t^ S39L^ S39 S39R^]:[t^]" | +"[t^ S39L^ S39 S39R^]:[t^]" <->{26.0}{5E-05} "[t^ S39L^ S39 S39R^]{t^*}" + "" | +"{t^*}[S44L^ S44 S44R^ t^]" + "" <->{5E-05}{26.0} "[t^ S44L^ S44 S44R^]:[t^]" | +"[t^ S44L^ S44 S44R^]:[t^]" <->{26.0}{5E-05} "[t^ S44L^ S44 S44R^]{t^*}" + "" | +"{t^*}[S21L^ S21 S21R^ t^]" + "" <->{5E-05}{26.0} "[t^ S21L^ S21 S21R^]:[t^]" | +"[t^ S21L^ S21 S21R^]:[t^]" <->{26.0}{5E-05} "[t^ S21L^ S21 S21R^]{t^*}" + "" | +"{t^*}[S40L^ S40 S40R^ t^]" + "" <->{5E-05}{26.0} "[t^ S40L^ S40 S40R^]:[t^]" | +"[t^ S40L^ S40 S40R^]:[t^]" <->{26.0}{5E-05} "[t^ S40L^ S40 S40R^]{t^*}" + "" | +"{t^*}[S41L^ S41 S41R^ t^]" + "" <->{5E-05}{26.0} "[t^ S41L^ S41 S41R^]:[t^]" | +"[t^ S41L^ S41 S41R^]:[t^]" <->{26.0}{5E-05} "[t^ S41L^ S41 S41R^]{t^*}" + "" | +"{t^*}[S46L^ S46 S46R^ t^]" + "" <->{5E-05}{26.0} "[t^ S46L^ S46 S46R^]:[t^]" | +"[t^ S46L^ S46 S46R^]:[t^]" <->{26.0}{5E-05} "[t^ S46L^ S46 S46R^]{t^*}" + "" | +"{t^*}[S22L^ S22 S22R^ t^]" + "" <->{5E-05}{26.0} "[t^ S22L^ S22 S22R^]:[t^]" | +"[t^ S22L^ S22 S22R^]:[t^]" <->{26.0}{5E-05} "[t^ S22L^ S22 S22R^]{t^*}" + "" | +"{t^*}[S20L^ S20 S20R^ t^]" + "" <->{5E-05}{26.0} "[t^ S20L^ S20 S20R^]:[t^]" | +"[t^ S20L^ S20 S20R^]:[t^]" <->{26.0}{5E-05} "[t^ S20L^ S20 S20R^]{t^*}" + "" | +"{t^*}[S13L^ S13 S13R^ t^]" + "" <->{5E-05}{26.0} "[t^ S13L^ S13 S13R^]:[t^]" | +"[t^ S13L^ S13 S13R^]:[t^]" <->{26.0}{5E-05} "[t^ S13L^ S13 S13R^]{t^*}" + "" | +"{t^*}[S28L^ S28 S28R^ t^]" + "" <->{5E-05}{26.0} "[t^ S28L^ S28 S28R^]:[t^]" | +"[t^ S28L^ S28 S28R^]:[t^]" <->{26.0}{5E-05} "[t^ S28L^ S28 S28R^]{t^*}" + "" | +"{t^*}[S29L^ S29 S29R^ t^]" + "" <->{5E-05}{26.0} "[t^ S29L^ S29 S29R^]:[t^]" | +"[t^ S29L^ S29 S29R^]:[t^]" <->{26.0}{5E-05} "[t^ S29L^ S29 S29R^]{t^*}" + "" | +"{t^*}[S40L^ S40 S40R^ t^]" + "" <->{5E-05}{26.0} "[t^ S40L^ S40 S40R^]:[t^]" | +"[t^ S40L^ S40 S40R^]:[t^]" <->{26.0}{5E-05} "[t^ S40L^ S40 S40R^]{t^*}" + "" | +"{t^*}[S13L^ S13 S13R^ t^]" + "" <->{5E-05}{26.0} "[t^ S13L^ S13 S13R^]:[t^]" | +"[t^ S13L^ S13 S13R^]:[t^]" <->{26.0}{5E-05} "[t^ S13L^ S13 S13R^]{t^*}" + "" | +"{t^*}[S32L^ S32 S32R^ t^]" + "" <->{5E-05}{26.0} "[t^ S32L^ S32 S32R^]:[t^]" | +"[t^ S32L^ S32 S32R^]:[t^]" <->{26.0}{5E-05} "[t^ S32L^ S32 S32R^]{t^*}" + "" | +"{t^*}[S33L^ S33 S33R^ t^]" + "" <->{5E-05}{26.0} "[t^ S33L^ S33 S33R^]:[t^]" | +"{t^*}[S48L^ S48 S48R^]" + "" ->{5E-05} "[t^ S48L^ S48 S48R^]" + "" | +"[t^ S33L^ S33 S33R^]:[t^]" <->{26.0}{5E-05} "[t^ S33L^ S33 S33R^]{t^*}" + "" | +"{t^*}[S13L^ S13 S13R^ t^]" + "" <->{5E-05}{26.0} "[t^ S13L^ S13 S13R^]:[t^]" | +"[t^ S13L^ S13 S13R^]:[t^]" <->{26.0}{5E-05} "[t^ S13L^ S13 S13R^]{t^*}" + "" | +"{t^*}[S38L^ S38 S38R^ t^]" + "" <->{5E-05}{26.0} "[t^ S38L^ S38 S38R^]:[t^]" | +"[t^ S38L^ S38 S38R^]:[t^]" <->{26.0}{5E-05} "[t^ S38L^ S38 S38R^]{t^*}" + "" | +"{t^*}[S15L^ S15 S15R^ t^]" + "" <->{5E-05}{26.0} "[t^ S15L^ S15 S15R^]:[t^]" | +"[t^ S15L^ S15 S15R^]:[t^]" <->{26.0}{5E-05} "[t^ S15L^ S15 S15R^]{t^*}" + "" | +"{t^*}[S30L^ S30 S30R^ t^]" + "" <->{5E-05}{26.0} "[t^ S30L^ S30 S30R^]:[t^]" | +"[t^ S30L^ S30 S30R^]:[t^]" <->{26.0}{5E-05} "[t^ S30L^ S30 S30R^]{t^*}" + "" | +"{t^*}[S31L^ S31 S31R^ t^]" + "" <->{5E-05}{26.0} "[t^ S31L^ S31 S31R^]:[t^]" | +"[t^ S31L^ S31 S31R^]:[t^]" <->{26.0}{5E-05} "[t^ S31L^ S31 S31R^]{t^*}" + "" | +"{t^*}[S42L^ S42 S42R^ t^]" + "" <->{5E-05}{26.0} "[t^ S42L^ S42 S42R^]:[t^]" | +"[t^ S42L^ S42 S42R^]:[t^]" <->{26.0}{5E-05} "[t^ S42L^ S42 S42R^]{t^*}" + "" | +"{t^*}[S15L^ S15 S15R^ t^]" + "" <->{5E-05}{26.0} "[t^ S15L^ S15 S15R^]:[t^]" | +"[t^ S15L^ S15 S15R^]:[t^]" <->{26.0}{5E-05} "[t^ S15L^ S15 S15R^]{t^*}" + "" | +"{t^*}[S34L^ S34 S34R^ t^]" + "" <->{5E-05}{26.0} "[t^ S34L^ S34 S34R^]:[t^]" | +"[t^ S34L^ S34 S34R^]:[t^]" <->{26.0}{5E-05} "[t^ S34L^ S34 S34R^]{t^*}" + "" | +"{t^*}[S35L^ S35 S35R^ t^]" + "" <->{5E-05}{26.0} "[t^ S35L^ S35 S35R^]:[t^]" | +"{t^*}[S50L^ S50 S50R^]" + "" ->{5E-05} "[t^ S50L^ S50 S50R^]" + "" | +"[t^ S35L^ S35 S35R^]:[t^]" <->{26.0}{5E-05} "[t^ S35L^ S35 S35R^]{t^*}" + "" | +"{t^*}[S15L^ S15 S15R^ t^]" + "" <->{5E-05}{26.0} "[t^ S15L^ S15 S15R^]:[t^]" | +"[t^ S15L^ S15 S15R^]:[t^]" <->{26.0}{5E-05} "[t^ S15L^ S15 S15R^]{t^*}" + "" | +"{t^*}[S36L^ S36 S36R^ t^]" + "" <->{5E-05}{26.0} "[t^ S36L^ S36 S36R^]:[t^]" | +"[t^ S36L^ S36 S36R^]:[t^]" <->{26.0}{5E-05} "[t^ S36L^ S36 S36R^]{t^*}" + "" | +"{t^*}[S17L^ S17 S17R^ t^]" + "" <->{5E-05}{26.0} "[t^ S17L^ S17 S17R^]:[t^]" | +"[t^ S17L^ S17 S17R^]:[t^]" <->{26.0}{5E-05} "[t^ S17L^ S17 S17R^]{t^*}" + "" | +"{t^*}[S30L^ S30 S30R^ t^]" + "" <->{5E-05}{26.0} "[t^ S30L^ S30 S30R^]:[t^]" | +"[t^ S30L^ S30 S30R^]:[t^]" <->{26.0}{5E-05} "[t^ S30L^ S30 S30R^]{t^*}" + "" | +"{t^*}[S17L^ S17 S17R^ t^]" + "" <->{5E-05}{26.0} "[t^ S17L^ S17 S17R^]:[t^]" | +"[t^ S17L^ S17 S17R^]:[t^]" <->{26.0}{5E-05} "[t^ S17L^ S17 S17R^]{t^*}" + "" | +"{t^*}[S32L^ S32 S32R^ t^]" + "" <->{5E-05}{26.0} "[t^ S32L^ S32 S32R^]:[t^]" | +"[t^ S32L^ S32 S32R^]:[t^]" <->{26.0}{5E-05} "[t^ S32L^ S32 S32R^]{t^*}" + "" | +"{t^*}[S17L^ S17 S17R^ t^]" + "" <->{5E-05}{26.0} "[t^ S17L^ S17 S17R^]:[t^]" | +"[t^ S17L^ S17 S17R^]:[t^]" <->{26.0}{5E-05} "[t^ S17L^ S17 S17R^]{t^*}" + "" | +"{t^*}[S38L^ S38 S38R^ t^]" + "" <->{5E-05}{26.0} "[t^ S38L^ S38 S38R^]:[t^]" | +"[t^ S38L^ S38 S38R^]:[t^]" <->{26.0}{5E-05} "[t^ S38L^ S38 S38R^]{t^*}" + "" | +"{t^*}[S19L^ S19 S19R^ t^]" + "" <->{5E-05}{26.0} "[t^ S19L^ S19 S19R^]:[t^]" | +"[t^ S19L^ S19 S19R^]:[t^]" <->{26.0}{5E-05} "[t^ S19L^ S19 S19R^]{t^*}" + "" | +"{t^*}[S28L^ S28 S28R^ t^]" + "" <->{5E-05}{26.0} "[t^ S28L^ S28 S28R^]:[t^]" | +"[t^ S28L^ S28 S28R^]:[t^]" <->{26.0}{5E-05} "[t^ S28L^ S28 S28R^]{t^*}" + "" | +"{t^*}[S19L^ S19 S19R^ t^]" + "" <->{5E-05}{26.0} "[t^ S19L^ S19 S19R^]:[t^]" | +"[t^ S19L^ S19 S19R^]:[t^]" <->{26.0}{5E-05} "[t^ S19L^ S19 S19R^]{t^*}" + "" | +"{t^*}[S34L^ S34 S34R^ t^]" + "" <->{5E-05}{26.0} "[t^ S34L^ S34 S34R^]:[t^]" | +"[t^ S34L^ S34 S34R^]:[t^]" <->{26.0}{5E-05} "[t^ S34L^ S34 S34R^]{t^*}" + "" | +"{t^*}[S19L^ S19 S19R^ t^]" + "" <->{5E-05}{26.0} "[t^ S19L^ S19 S19R^]:[t^]" | +"[t^ S19L^ S19 S19R^]:[t^]" <->{26.0}{5E-05} "[t^ S19L^ S19 S19R^]{t^*}" + "" | +"{t^*}[S36L^ S36 S36R^ t^]" + "" <->{5E-05}{26.0} "[t^ S36L^ S36 S36R^]:[t^]" | +"[t^ S36L^ S36 S36R^]:[t^]" <->{26.0}{5E-05} "[t^ S36L^ S36 S36R^]{t^*}" + "" | +"[t^ S21L^ S21 S21R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S21L^ S21 S21R^]:[t^]" | +"[t^ S21L^ S21 S21R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S21L^ S21 S21R^ t^]" + "" | +"[t^ S23L^ S23 S23R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S23L^ S23 S23R^]:[t^]" | +"[t^ S23L^ S23 S23R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S23L^ S23 S23R^ t^]" + "" | +"[t^ S29L^ S29 S29R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S29L^ S29 S29R^]:[t^]" | +"[t^ S29L^ S29 S29R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S29L^ S29 S29R^ t^]" + "" | +"[t^ S31L^ S31 S31R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S31L^ S31 S31R^]:[t^]" | +"[t^ S31L^ S31 S31R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S31L^ S31 S31R^ t^]" + "" | +"[t^ S33L^ S33 S33R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S33L^ S33 S33R^]:[t^]" | +"[t^ S33L^ S33 S33R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S33L^ S33 S33R^ t^]" + "" | +"[t^ S35L^ S35 S35R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S35L^ S35 S35R^]:[t^]" | +"[t^ S35L^ S35 S35R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S35L^ S35 S35R^ t^]" + "" | +"[t^ S37L^ S37 S37R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S37L^ S37 S37R^]:[t^]" | +"[t^ S37L^ S37 S37R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S37L^ S37 S37R^ t^]" + "" | +"[t^ S39L^ S39 S39R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S39L^ S39 S39R^]:[t^]" | +"[t^ S39L^ S39 S39R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S39L^ S39 S39R^ t^]" + "" | +"[t^ S41L^ S41 S41R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S41L^ S41 S41R^]:[t^]" | +"[t^ S41L^ S41 S41R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S41L^ S41 S41R^ t^]" + "" | +"[t^ S43L^ S43 S43R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S43L^ S43 S43R^]:[t^]" | +"[t^ S43L^ S43 S43R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S43L^ S43 S43R^ t^]" + "" | +"[t^ S45L^ S45 S45R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S45L^ S45 S45R^]:[t^]" | +"[t^ S45L^ S45 S45R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S45L^ S45 S45R^ t^]" + "" | +"[t^ S47L^ S47 S47R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S47L^ S47 S47R^]:[t^]" | +"[t^ S47L^ S47 S47R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S47L^ S47 S47R^ t^]" + "" | +"[t^ S13L^ S13 S13R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S13L^ S13 S13R^]:[t^]" | +"[t^ S13L^ S13 S13R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S13L^ S13 S13R^ t^]" + "" | +"[t^ S15L^ S15 S15R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S15L^ S15 S15R^]:[t^]" | +"[t^ S15L^ S15 S15R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S15L^ S15 S15R^ t^]" + "" | +"[t^ S17L^ S17 S17R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S17L^ S17 S17R^]:[t^]" | +"[t^ S17L^ S17 S17R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S17L^ S17 S17R^ t^]" + "" | +"[t^ S19L^ S19 S19R^]{t^*}" + "" <->{5E-05}{26.0} "[t^ S19L^ S19 S19R^]:[t^]" | +"[t^ S19L^ S19 S19R^]:[t^]" <->{26.0}{5E-05} "{t^*}[S19L^ S19 S19R^ t^]" + "" | +"{S20R^* t^*}[S21L^ S21 S21R^]" + "" ->{0.00205} "[S20R^ t^ S21L^ S21 S21R^]" + "" | +"{S22R^* t^*}[S23L^ S23 S23R^]" + "" ->{0.00205} "[S22R^ t^ S23L^ S23 S23R^]" + "" | +"{S28R^* t^*}[S29L^ S29 S29R^]" + "" ->{0.00205} "[S28R^ t^ S29L^ S29 S29R^]" + "" | +"{S30R^* t^*}[S31L^ S31 S31R^]" + "" ->{0.00205} "[S30R^ t^ S31L^ S31 S31R^]" + "" | +"{S32R^* t^*}[S33L^ S33 S33R^]" + "" ->{0.00205} "[S32R^ t^ S33L^ S33 S33R^]" + "" | +"{S34R^* t^*}[S35L^ S35 S35R^]" + "" ->{0.00205} "[S34R^ t^ S35L^ S35 S35R^]" + "" | +"{S36R^* t^*}[S37L^ S37 S37R^]" + "" ->{0.00205} "[S36R^ t^ S37L^ S37 S37R^]" + "" | +"{S38R^* t^*}[S39L^ S39 S39R^]" + "" ->{0.00205} "[S38R^ t^ S39L^ S39 S39R^]" + "" | +"{S40R^* t^*}[S41L^ S41 S41R^]" + "" ->{0.00205} "[S40R^ t^ S41L^ S41 S41R^]" + "" | +"{S42R^* t^*}[S43L^ S43 S43R^]" + "" ->{0.00205} "[S42R^ t^ S43L^ S43 S43R^]" + "" | +"{S44R^* t^*}[S45L^ S45 S45R^]" + "" ->{0.00205} "[S44R^ t^ S45L^ S45 S45R^]" + "" | +"{S46R^* t^*}[S47L^ S47 S47R^]" + "" ->{0.00205} "[S46R^ t^ S47L^ S47 S47R^]" + "" | +"{S12R^* t^*}[S13L^ S13 S13R^]" + "" ->{0.00205} "[S12R^ t^ S13L^ S13 S13R^]" + "" | +"{S14R^* t^*}[S15L^ S15 S15R^]" + "" ->{0.00205} "[S14R^ t^ S15L^ S15 S15R^]" + "" | +"{S16R^* t^*}[S17L^ S17 S17R^]" + "" ->{0.00205} "[S16R^ t^ S17L^ S17 S17R^]" + "" | +"{S18R^* t^*}[S19L^ S19 S19R^]" + "" ->{0.00205} "[S18R^ t^ S19L^ S19 S19R^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Qian And Winfree 4 Bit Square Root Circuit.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Qian And Winfree 4 Bit Square Root Circuit.dna new file mode 100644 index 0000000..8eac98a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Qian And Winfree 4 Bit Square Root Circuit.dna @@ -0,0 +1,329 @@ +(* Qian and Winfree 4 bit square root circuit *) +(* Simulate in Finite mode with Stochastic simulator withouts leaks and unproductive reactions *) + +(* Simulate for 10 hours and collect 10000 data points*) +directive duration 36000.0 points 10000 + +(* Simulate a population of 1000 molecules *) +directive scale 20.0 + +(* Plot the outputs *) +directive plot <_ _ _ y2_0> (* y2^0 *) +directive plot < _ _ _ y2_1> (* y2^1 *) +directive plot <_ _ _ y1_0> (* y1^0 *) +directive plot <_ _ _ y1_1> (* y1^1 *) + +(* Rates at 25 C from the Qian and Winfree 2011 (page 48 SI) *) +(* Long toeholds bind fast and unbind slowly while short toeholds bind slow and unbind faster*) +directive toeholds 2.0E-3 1.3 (* Long toehold binding rate 2x10^-3 /nM/s, unbinding rates 1.3/s*) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +(* Short toehold *) +dom t={seq = TCT; bind=shorttoeholdbind; unbind=shorttoeholdunbind} +(* All other toeholds are long and have the default rates set in the toeholds directive above *) + +dom S1 = {seq=CATCCATTCCACTCA} +dom S2 = {seq=CAAAACAAAACCTCA} +dom S3 = {seq=CACCCTAAAATCTCA} +dom S4 = {seq=CACATAACAACCACA } +dom S5L = {seq=CACC} +dom S5 = {seq=ACCAAAC} +dom S5R = {seq=TTCA } +dom S6 = {seq=CATAACACAATCACA} +dom S7L = {seq=CAAC} +dom S7 = {seq=ATATCAA} +dom S7R = {seq=TTCA } +dom S8 = {seq=CACTAACATACAACA } +dom S9L = {seq=CACC} +dom S9 = {seq=ATCAAAT} +dom S9R = {seq=AACA} +dom S10 = {seq=CATACAACATCTACA } +dom S11L = {seq=CAAT} +dom S11 = {seq=ATCCATA} +dom S11R = {seq=ACCA } +dom S12L = {seq=CATC} +dom S12 = {seq=AATCAAC} +dom S12R = {seq=ACCA} +dom S13L = {seq=CACA} +dom S13 = {seq=ACTCATT} +dom S13R = {seq=ACCA } +dom S14L = {seq=CATT} +dom S14 = {seq=ATTCAAA} +dom S14R = {seq=CCCA } +dom S15L = {seq=CACA} +dom S15 = {seq=CTATAAT} +dom S15R = {seq=TCCA} +dom S16L = {seq=CACT} +dom S16 = {seq=TCATAAA} +dom S16R = {seq=TCCA } +dom S17L = {seq=CAAC} +dom S17 = {seq=TCCTAAT} +dom S17R = {seq=ATCA } +dom S18L = {seq=CATC} +dom S18 = {seq=TTCTAAC} +dom S18R = {seq=ATCA} +dom S19L = {seq=CACC} +dom S19 = {seq=TCTTAAA} +dom S19R = {seq=CACA } +dom S20L = {seq=CAAT} +dom S20 = {seq=CTAACAC} +dom S20R = {seq=TCCA } +dom S21L = {seq=CAAC} +dom S21 = {seq=CATACTA} +dom S21R = {seq=AACA} +dom S22L = {seq=CATT} +dom S22 = {seq=CCTACAT} +dom S22R = {seq=TTCA } +dom S23L = {seq=CAAA} +dom S23 = {seq=TCTTCAT} +dom S23R = {seq=CCCA } +dom S24 = {seq=CACTCATCCTTTACA} +dom S25 = {seq=CAATTCACTCAATCA } +dom S26 = {seq=CATTCATTACCTCCA } +dom S27 = {seq=CAAACACTCTATTCA} +dom S28L = {seq=CATC} +dom S28 = {seq=TACAATT} +dom S28R = {seq=CACA } +dom S29L = {seq=CACC} +dom S29 = {seq=AATACTC} +dom S29R = {seq=CTCA } +dom S30L = {seq=CACC} +dom S30 = {seq=ATTACAA} +dom S30R = {seq=TCCA} +dom S31L = {seq=CAAT} +dom S31 = {seq=CCACACT} +dom S31R = {seq=TCCA } +dom S32L = {seq=CACA} +dom S32 = {seq=CTTCAAA} +dom S32R = {seq=CTCA } +dom S33L = {seq=CAAC} +dom S33 = {seq=TCAAACA} +dom S33R = {seq=TACA} +dom S34L = {seq=CACA} +dom S34 = {seq=TAACAAA} +dom S34R = {seq=ACCA } +dom S35L = {seq=CACT} +dom S35 = {seq=CTCCATC} +dom S35R = {seq=ACCA } +dom S36L = {seq=CAAA} +dom S36 = {seq=CTAAACA} +dom S36R = {seq=ACCA} +dom S37L = {seq=CACC} +dom S37 = {seq=TCTTCCC} +dom S37R = {seq=TTCA } +dom S38L = {seq=CATA} +dom S38 = {seq=CCCTTTT} +dom S38R = {seq=CTCA } +dom S39L = {seq=CACT} +dom S39 = {seq=ATACACA} +dom S39R = {seq=CCCA} +dom S40L = {seq=CAAT} +dom S40 = {seq=ACAAATC} +dom S40R = {seq=CACA } +dom S41L = {seq=CAAC} +dom S41 = {seq=AAACCAT} +dom S41R = {seq=TACA } +dom S42L = {seq=CACT} +dom S42 = {seq=TTTCACT} +dom S42R = {seq=ATCA} +dom S43L = {seq=CATC} +dom S43 = {seq=ATACCTA} +dom S43R = {seq=CTCA } +dom S44L = {seq=CAAA} +dom S44 = {seq=ACTCTCT} +dom S44R = {seq=CTCA } +dom S45L = {seq=CACC} +dom S45 = {seq=CAAAACC} +dom S45R = {seq=CACA} +dom S46L = {seq=CAAA} +dom S46 = {seq=CCCAACT} +dom S46R = {seq=CACA } +dom S47L = {seq=CATT} +dom S47 = {seq=CTCCCAC} +dom S47R = {seq=CTCA } +dom S48L = {seq=CATC} +dom S48 = {seq=ACCACTA} +dom S48R = {seq=TACA} +dom S49L = {seq=CATC} +dom S49 = {seq=CTTAACT} +dom S49R = {seq=CCCA } +dom S50L = {seq=CATT} +dom S50 = {seq=ACCAACC} +dom S50R = {seq=ACCA } +dom S51L = {seq=CACA} +dom S51 = {seq=AACTACA} +dom S51R = {seq=TCCA} +dom S52L = {seq=CACT} +dom S52 = {seq=TCACAAC} +dom S52R = {seq=TACA } +dom S53L = {seq=CATA} +dom S53 = {seq=TCTAATC} +dom S53R = {seq=TCCA } +dom fL = {seq=CATT} +dom f = {seq=TTTTTTT} +dom fR = {seq=TTCA} + +(* Set concentration with 1x = 50 nM *) +def N = 5 (* 0.1x standard concentration *) +def OFF = 1*N (* logic OFF value = 0.1, conc = 5 nM *) +def ON = 9*N (* logic ON value = 0.9, conc = 45 nM*) + +(* a seesaw signal *) +def signal(N,(iL,i,iR),(jL,j,jR)) = ( N * ) + +(* a seesaw gate with signal bound by the left side *) +def gateL(N,(iL,i,iR),(jL,j,jR)) = ( N * {t^*}:[iL^ i iR^ t^] ) + +(* a seesaw gate with signal bound by the right side *) +def gateR(N,(iL,i,iR),(jL,j,jR)) = ( N * [t^ jL^ j jR^]:{t^*} ) + +(* a seesaw threshold with signal coming in from the left side *) +def thresholdL(N,(iL,i,iR),(jL,j,jR)) = ( N * {iR^* t^*}[jL^ j jR^] ) + +(* a seesaw threshold with signal coming in from the right side *) +def thresholdR(N,(iL,i,iR),(jL,j,jR)) = ( N * [iL^ i iR^]{t^* jL^*} ) + +(* a seesaw reporter *) +def reporter(N,(iL,i,iR),Fluor) = ( N * {t^*}:[iL^ i iR^] ) + +def F = (fL,f,fR) + + +(* 2-input 2-output seesaw OR gate *) +def seesawOR2I2O(I1,I2,K1,K2) = +( gateL(20*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| gateL(10*N,I2,K2) +| signal(40*N,I2,F)) + +(* 2-input 2-output seesaw AND gate *) +def seesawAND2I2O(I1,I2,K1,K2) = +( gateL(20*N,I1,I2) +| thresholdL(12*N,I1,I2) +| gateL(10*N,I2,K1) +| gateL(10*N,I2,K2) +| signal(40*N,I2,F)) + +(* 2-input 1-output seesaw OR gate *) +def seesawOR2I1O(I1,I2,K1) = +( gateL(20*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 2-input 1-output seesaw AND gate *) +def seesawAND2I1O(I1,I2,K1) = +( gateL(20*N,I1,I2) +| thresholdL(12*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 3-input 1-output seesaw AND gate *) +def seesawAND3I1O(I1,I2,K1) = +( gateL(30*N,I1,I2) +| thresholdL(22*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 3-input 1-output seesaw OR gate *) +def seesawOR3I1O(I1,I2,K1) = +( gateL(30*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* input fanout gate with 3 outputs *) +def inputfanout3O(J,I,K1,K2,K3) = +( thresholdL(2*N,J,I) +| gateL(10*N,I,K1) +| gateL(10*N,I,K2) +| gateL(10*N,I,K3) +| signal(60*N,I,F)) + +(* reporter with signal restoration *) +def reporterREST(I1,I2,I3) = +( gateL(10*N,I1,I2) +| thresholdL(4*N,I1,I2) +| gateL(10*N,I2,I3) +| signal(20*N,I2,F)) + + + +def X5 = (S5L,S5,S5R) +def X7 = (S7L,S7,S7R) +def X9 = (S9L,S9,S9R) +def X11 = (S11L,S11,S11R) +def X12 = (S12L,S12,S12R) +def X13 = (S13L,S13,S13R) +def X14 = (S14L,S14,S14R) +def X15 = (S15L,S15,S15R) +def X16 = (S16L,S16,S16R) +def X17 = (S17L,S17,S17R) +def X18 = (S18L,S18,S18R) +def X19 = (S19L,S19,S19R) +def X20 = (S20L,S20,S20R) +def X21 = (S21L,S21,S21R) +def X22 = (S22L,S22,S22R) +def X23 = (S23L,S23,S23R) +def X28 = (S28L,S28,S28R) +def X29 = (S29L,S29,S29R) +def X30 = (S30L,S30,S30R) +def X31 = (S31L,S31,S31R) +def X32 = (S32L,S32,S32R) +def X33 = (S33L,S33,S33R) +def X34 = (S34L,S34,S34R) +def X35 = (S35L,S35,S35R) +def X36 = (S36L,S36,S36R) +def X37 = (S37L,S37,S37R) +def X38 = (S38L,S38,S38R) +def X39 = (S39L,S39,S39R) +def X40 = (S40L,S40,S40R) +def X41 = (S41L,S41,S41R) +def X42 = (S42L,S42,S42R) +def X43 = (S43L,S43,S43R) +def X44 = (S44L,S44,S44R) +def X45 = (S45L,S45,S45R) +def X46 = (S46L,S46,S46R) +def X47 = (S47L,S47,S47R) +def X48 = (S48L,S48,S48R) +def X49 = (S49L,S49,S49R) +def X50 = (S50L,S50,S50R) +def X52 = (S52L,S52,S52R) +new S54L new S54 new S54R +def X54 = (S54L,S54,S54R) + + +(* 4 bit square root circuit in dual rail: Input set to 4 = 0100 *) +( signal(ON,X5,X22) (* x1^0 *) +| signal(OFF,X7,X20) (* x1^1 *) +| signal(ON,X9,X22) (* x2^0 *) +| signal(OFF,X11,X20) (* x2^1 *) +| signal(OFF,X12,X13) (* x3^0 *) +| signal(ON,X14,X15) (* x3^1 *) +| signal(ON,X16,X17) (* x4^0 *) +| signal(OFF,X18,X19) (* x4^1 *) +| seesawOR2I2O(X20,X21,X38,X40) +| seesawAND2I2O(X22,X23,X36,X42) +| seesawOR2I1O(X28,X29,X40) +| seesawAND2I1O(X30,X31,X42) +| seesawAND2I1O(X32,X33,X48) +| seesawOR2I1O(X34,X35,X50) +| seesawAND3I1O(X36,X37,X46) +| seesawOR3I1O(X38,X39,X44) +| seesawAND2I1O(X40,X41,X46) +| seesawOR2I1O(X42,X43,X44) +| seesawAND2I1O(X44,X45,X52) +| seesawOR2I1O(X46,X47,X54) +| inputfanout3O(X12,X13,X28,X32,X38) +| inputfanout3O(X14,X15,X30,X34,X36) +| inputfanout3O(X16,X17,X30,X32,X38) +| inputfanout3O(X18,X19,X28,X34,X36) +| reporter(15*N,X48,y2_0) +| reporter(15*N,X50,y2_1) +| reporter(15*N,X52,y1_0) +| reporter(15*N,X54,y1_1) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized Fanout).crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized Fanout).crn new file mode 100644 index 0000000..9995245 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized Fanout).crn @@ -0,0 +1,200 @@ +directive sample 0.0,36000.0 2000 +directive plot ""; ""; ""; "" + +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" 1000.0 | +init "{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" 1000.0 | +init "{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" 1000.0 | +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta2^]" 1000.0 | +init "{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" 1000.0 | +init "{T^*}[x3_0a]:[x3_0b T^]:[x4_0a]:[x4_0b Tmsb_0^]" 1000.0 | +init "" 1000.0 | +init "{T^*}[x4_0a]:[x4_0b Tx4_0o^]" 2000.0 | +init "" 1000.0 | +init "{T^*}[x4_1a]:[x4_1b Tx4_1o^]" 2000.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x2_1a]:[x2_1b Ta6^]" 1000.0 | +init "{T^*}[x1_1a]:[x1_1b Ta6^]" 1000.0 | +init "{Ta8^*}[a8a]:[a8b Ta10^]" 1000.0 | +init "{Ta7^*}[a7a]:[a7b Ta10^]" 1000.0 | +init "{T^*}[x2_1a]:[x2_1b Ta1^]" 1000.0 | +init "{T^*}[x1_1a]:[x1_1b Ta1^]" 1000.0 | +init "{T^*}[x3_0a]:[x3_0b Ta3^]" 1000.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" 1000.0 | +init "{Ta5^*}[a5a]:[a5b Tlsb_1^]" 1000.0 | +init "{Ta4^*}[a4a]:[a4b Tlsb_1^]" 1000.0 | +init "{T^*}[x4_1a]:[x4_1b Tmsb_1^]" 1000.0 | +init "{T^*}[x3_1a]:[x3_1b Tmsb_1^]" 1000.0 | +init "{Tlsb_0^*}[LSB_0a LSB_0b]" 1000.0 | +init "{Tlsb_1^*}[LSB_1a LSB_1b]" 1000.0 | +init "{Tmsb_0^*}[MSB_0a MSB_0b]" 1000.0 | +init "{Tmsb_1^*}[MSB_1a MSB_1b]" 1000.0 | +init "" 0.0 | +init "[T^ x4_0a x4_0b]{Tx4_0o^*}" 0.0 | +init "{T^*}[x4_0a x4_0b Tx4_0o^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 3000.0 | +init "[T^ x4_1a x4_1b]{Tx4_1o^*}" 0.0 | +init "{T^*}[x4_1a x4_1b Tx4_1o^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x4_1a x4_1b]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" 0.0 | +init "[T^ x3_0a x3_0b]:[T^ x4_0a x4_0b]{Tmsb_0^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_0^ MSB_0a MSB_0b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_0a x3_0b]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 3000.0 | +init "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" 0.0 | +init "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta8^ a8a a8b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_1a x3_1b]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "" 3000.0 | +init "[T^ x2_1a x2_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x2_1a x2_1b]{Ta1^*}" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta5^ a5a a5b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta7^ a7a a7b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta2^*}" 0.0 | +init "" 0.0 | +init "" 3000.0 | +init "[T^ x1_1a x1_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_1a x1_1b]{Ta1^*}" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 1000.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta4^ a4a a4b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" 1000.0 | +init "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_0^ LSB_0a LSB_0b]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x3_0a]:[x3_0b Ta9^]" 1000.0 | +init "[T^ x3_0a x3_0b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "{Ta6^*}[a6a]:[a6b Ta9^]" 1000.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +"{T^*}[x4_0a]:[x4_0b Tx4_0o^]" + "" ->{0.0003} "[T^ x4_0a x4_0b]{Tx4_0o^*}" + "" + "" | +"[T^ x4_0a x4_0b]{Tx4_0o^*}" + "" <->{0.0003}{0.0003} "{T^*}[x4_0a x4_0b Tx4_0o^]" + "" | +"{T^*}[x4_1a]:[x4_1b Tx4_1o^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]{Tx4_1o^*}" + "" + "" | +"{T^*}[x4_1a]:[x4_1b Tmsb_1^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]{Tmsb_1^*}" + "" + "" | +"[T^ x4_1a x4_1b]{Tx4_1o^*}" + "" <->{0.0003}{0.0003} "{T^*}[x4_1a x4_1b Tx4_1o^]" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0003} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T^*}[x3_0a]:[x3_0b T^]:[x4_0a]:[x4_0b Tmsb_0^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" + "" + "" | +"{T^*}[x3_0a]:[x3_0b Ta3^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{Ta3^*}" + "" + "" | +"[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]:[T^ x4_0a x4_0b]{Tmsb_0^*}" + "" + "" | +"{Tmsb_0^*}[MSB_0a MSB_0b]" + "" ->{0.0003} "[Tmsb_0^ MSB_0a MSB_0b]" + "" | +"{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" + "" | +"{T^*}[x3_1a]:[x3_1b Tmsb_1^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]{Tmsb_1^*}" + "" + "" | +"[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" + "" + "" | +"{Ta8^*}[a8a]:[a8b Ta10^]" + "" ->{0.0003} "[Ta8^ a8a a8b]{Ta10^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0003} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T^*}[x2_1a]:[x2_1b Ta6^]" + "" ->{0.0003} "[T^ x2_1a x2_1b]{Ta6^*}" + "" + "" | +"{T^*}[x2_1a]:[x2_1b Ta1^]" + "" ->{0.0003} "[T^ x2_1a x2_1b]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Ta5^*}[a5a]:[a5b Tlsb_1^]" + "" ->{0.0003} "[Ta5^ a5a a5b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0003} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta2^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" + "" + "" | +"{Ta7^*}[a7a]:[a7b Ta10^]" + "" ->{0.0003} "[Ta7^ a7a a7b]{Ta10^*}" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta2^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta6^]" + "" ->{0.0003} "[T^ x1_1a x1_1b]{Ta6^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta1^]" + "" ->{0.0003} "[T^ x1_1a x1_1b]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" + "" + "" | +"{Ta4^*}[a4a]:[a4b Tlsb_1^]" + "" ->{0.0003} "[Ta4^ a4a a4b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0003} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" + "" ->{0.0003} "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Tlsb_0^*}[LSB_0a LSB_0b]" + "" ->{0.0003} "[Tlsb_0^ LSB_0a LSB_0b]" + "" | +"{T^*}[x3_0a]:[x3_0b Ta9^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0003} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0003} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized Fanout).dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized Fanout).dna new file mode 100644 index 0000000..9c8ab28 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized Fanout).dna @@ -0,0 +1,126 @@ + (*------------------------------------------------------------------------------------ +Circuit : 4 bit square root in dual rail logic +Description : No private domains are used. The circuit does not terminate + (no state is reached where no reactions are possible) +Notes : Use Compilation: Infinite; Set lower copies for simulation +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 + +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 15 (* Input number *) +def Copies = 1000 (* Number of copies of the circuit *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = 1.0 +def x2 = 1.0 +def x3 = 1.0 +def x4 = 1.0 + +def MSB(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized).crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized).crn new file mode 100644 index 0000000..86769da --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized).crn @@ -0,0 +1,227 @@ +directive sample 0.0,36000.0 2000 +directive plot ""; ""; ""; "" + +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" 1000.0 | +init "{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" 1000.0 | +init "{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" 1000.0 | +init "{T.17^*}[x1_0a.1]:[x1_0b.2 T.17^]:[x2_0a.5]:[x2_0b.6 Ta2^]" 1000.0 | +init "{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" 1000.0 | +init "{T.34^*}[x3_0a.26]:[x3_0b.27 T.34^]:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" 1000.0 | +init "" 1000.0 | +init "{T^*}[x4_0a]:[x4_0b Tx4_0o^]" 2000.0 | +init "" 1000.0 | +init "{T.17^*}[x4_1a.15]:[x4_1b.16 Tx4_1o^]" 2000.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x2_1a]:[x2_1b Ta6^]" 1000.0 | +init "{T^*}[x1_1a]:[x1_1b Ta6^]" 1000.0 | +init "{Ta8^*}[a8a]:[a8b Ta10^]" 1000.0 | +init "{Ta7^*}[a7a]:[a7b Ta10^]" 1000.0 | +init "{T.17^*}[x2_1a.7]:[x2_1b.8 Ta1^]" 1000.0 | +init "{T.17^*}[x1_1a.3]:[x1_1b.4 Ta1^]" 1000.0 | +init "{T.17^*}[x3_0a.9]:[x3_0b.10 Ta3^]" 1000.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" 1000.0 | +init "{Ta5^*}[a5a]:[a5b Tlsb_1^]" 1000.0 | +init "{Ta4^*}[a4a]:[a4b Tlsb_1^]" 1000.0 | +init "{T.34^*}[x4_1a.32]:[x4_1b.33 Tmsb_1^]" 1000.0 | +init "{T.34^*}[x3_1a.28]:[x3_1b.29 Tmsb_1^]" 1000.0 | +init "{Tlsb_0^*}[LSB_0a LSB_0b]" 1000.0 | +init "{Tlsb_1^*}[LSB_1a LSB_1b]" 1000.0 | +init "{Tmsb_0^*}[MSB_0a MSB_0b]" 1000.0 | +init "{Tmsb_1^*}[MSB_1a MSB_1b]" 1000.0 | +init "" 0.0 | +init "[T^ x4_0a x4_0b]{Tx4_0o^*}" 0.0 | +init "{T^*}[x4_0a x4_0b Tx4_0o^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" 0.0 | +init "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta8^ a8a a8b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T^ x2_1a x2_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta7^ a7a a7b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T^ x1_1a x1_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.17^ x4_1a.15 x4_1b.16]{Tx4_1o^*}" 0.0 | +init "{T.17^*}[x4_1a.15 x4_1b.16 Tx4_1o^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T.17^ x3_0a.9 x3_0b.10]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.17^ x2_1a.7 x2_1b.8]{Ta1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta5^ a5a a5b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T.17^ x1_0a.1 x1_0b.2]{T.17^*}:[x2_0a.5]:[x2_0b.6 Ta2^]" 0.0 | +init "[T.17^ x1_0a.1 x1_0b.2]:[T.17^ x2_0a.5 x2_0b.6]{Ta2^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.17^ x1_1a.3 x1_1b.4]{Ta1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.34^ x4_1a.32 x4_1b.33]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "[T.34^ x3_0a.26 x3_0b.27]{T.34^*}:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" 0.0 | +init "[T.34^ x3_0a.26 x3_0b.27]:[T.34^ x4_0a.30 x4_0b.31]{Tmsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tmsb_0^ MSB_0a MSB_0b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "[T.34^ x3_1a.28 x3_1b.29]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "" 1000.0 | +init "" 0.0 | +init "" 1000.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob T.17^]:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" 1000.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{T.17^*}:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]{Ta2^*}:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]:[Ta2^ a2a a2b]{Ta4^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta4^ a4a a4b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" 1000.0 | +init "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_0^ LSB_0a LSB_0b]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x3_0a]:[x3_0b Ta9^]" 1000.0 | +init "[T^ x3_0a x3_0b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "{Ta6^*}[a6a]:[a6b Ta9^]" 1000.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +"{T^*}[x4_0a]:[x4_0b Tx4_0o^]" + "" ->{0.0025} "[T^ x4_0a x4_0b]{Tx4_0o^*}" + "" + "" | +"[T^ x4_0a x4_0b]{Tx4_0o^*}" + "" <->{0.0025}{0.0025} "{T^*}[x4_0a x4_0b Tx4_0o^]" + "" | +"{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0025} "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" + "" | +"[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0025} "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" + "" + "" | +"{Ta8^*}[a8a]:[a8b Ta10^]" + "" ->{0.0025} "[Ta8^ a8a a8b]{Ta10^*}" + "" + "" | +"{T^*}[x2_1a]:[x2_1b Ta6^]" + "" ->{0.0025} "[T^ x2_1a x2_1b]{Ta6^*}" + "" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0025} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0025} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" + "" + "" | +"{Ta7^*}[a7a]:[a7b Ta10^]" + "" ->{0.0025} "[Ta7^ a7a a7b]{Ta10^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta6^]" + "" ->{0.0025} "[T^ x1_1a x1_1b]{Ta6^*}" + "" + "" | +"{T.17^*}[x4_1a.15]:[x4_1b.16 Tx4_1o^]" + "" ->{0.0025} "[T.17^ x4_1a.15 x4_1b.16]{Tx4_1o^*}" + "" + "" | +"[T.17^ x4_1a.15 x4_1b.16]{Tx4_1o^*}" + "" <->{0.0025}{0.0025} "{T.17^*}[x4_1a.15 x4_1b.16 Tx4_1o^]" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" + "" ->{0.0025} "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" + "" + "" | +"{T.17^*}[x3_0a.9]:[x3_0b.10 Ta3^]" + "" ->{0.0025} "[T.17^ x3_0a.9 x3_0b.10]{Ta3^*}" + "" + "" | +"{T.17^*}[x2_1a.7]:[x2_1b.8 Ta1^]" + "" ->{0.0025} "[T.17^ x2_1a.7 x2_1b.8]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Ta5^*}[a5a]:[a5b Tlsb_1^]" + "" ->{0.0025} "[Ta5^ a5a a5b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0025} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{T.17^*}[x1_0a.1]:[x1_0b.2 T.17^]:[x2_0a.5]:[x2_0b.6 Ta2^]" + "" ->{0.0025} "[T.17^ x1_0a.1 x1_0b.2]{T.17^*}:[x2_0a.5]:[x2_0b.6 Ta2^]" + "" + "" | +"[T.17^ x1_0a.1 x1_0b.2]{T.17^*}:[x2_0a.5]:[x2_0b.6 Ta2^]" + "" ->{0.0025} "[T.17^ x1_0a.1 x1_0b.2]:[T.17^ x2_0a.5 x2_0b.6]{Ta2^*}" + "" + "" | +"{T.17^*}[x1_1a.3]:[x1_1b.4 Ta1^]" + "" ->{0.0025} "[T.17^ x1_1a.3 x1_1b.4]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0025} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{T.34^*}[x4_1a.32]:[x4_1b.33 Tmsb_1^]" + "" ->{0.0025} "[T.34^ x4_1a.32 x4_1b.33]{Tmsb_1^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0025} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T.34^*}[x3_0a.26]:[x3_0b.27 T.34^]:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" + "" ->{0.0025} "[T.34^ x3_0a.26 x3_0b.27]{T.34^*}:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" + "" + "" | +"[T.34^ x3_0a.26 x3_0b.27]{T.34^*}:[x4_0a.30]:[x4_0b.31 Tmsb_0^]" + "" ->{0.0025} "[T.34^ x3_0a.26 x3_0b.27]:[T.34^ x4_0a.30 x4_0b.31]{Tmsb_0^*}" + "" + "" | +"{Tmsb_0^*}[MSB_0a MSB_0b]" + "" ->{0.0025} "[Tmsb_0^ MSB_0a MSB_0b]" + "" | +"{T.34^*}[x3_1a.28]:[x3_1b.29 Tmsb_1^]" + "" ->{0.0025} "[T.34^ x3_1a.28 x3_1b.29]{Tmsb_1^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0025} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob T.17^]:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0025} "[Tx4_1o^ x4_1oa x4_1ob]{T.17^*}:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]{T.17^*}:[x3_1a.11]:[x3_1b.12 Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0025} "[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" ->{0.0025} "[Tx4_1o^ x4_1oa x4_1ob]:[T.17^ x3_1a.11 x3_1b.12]:[Ta2^ a2a a2b]{Ta4^*}" + "" + "" | +"{Ta4^*}[a4a]:[a4b Tlsb_1^]" + "" ->{0.0025} "[Ta4^ a4a a4b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0025} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" + "" ->{0.0025} "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Tlsb_0^*}[LSB_0a LSB_0b]" + "" ->{0.0025} "[Tlsb_0^ LSB_0a LSB_0b]" + "" | +"{T^*}[x3_0a]:[x3_0b Ta9^]" + "" ->{0.0025} "[T^ x3_0a x3_0b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0025} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0025} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0025} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized).dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized).dna new file mode 100644 index 0000000..81ddceb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT (Localized).dna @@ -0,0 +1,168 @@ +(*------------------------------------------------------------------------------------ +Circuit : 4 bit square root in dual rail logic +Description : Crosstalk between logical blocks MSB, LSB0, LSB1 is prevented + through private DNA domains. +Notes : Use Compilation: Infinite; Set lower copies for simulation +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 15 (* Input number *) +def Copies = 1000 (* Number of copies of the circuit *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = 1.0 +def x2 = 1.0 +def x3 = 1.0 +def x4 = 1.0 + +def MSB(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b + +new T@ untetheredbind, untetheredunbind +new Tmsb_0@ tetheredbind, tetheredunbind +new Tmsb_1@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_1oa new x4_1ob +new a1a new a1b new a2a new a2b +new a3a new a3b new a4a new a4b +new a5a new a5b +new T@ untetheredbind, untetheredunbind +new Tx4_1o@ tetheredbind, tetheredunbind +new Ta1@ tetheredbind, tetheredunbind +new Ta2@ tetheredbind, tetheredunbind +new Ta3@ tetheredbind, tetheredunbind +new Ta4@ tetheredbind, tetheredunbind +new Ta5@ tetheredbind, tetheredunbind +new Tlsb_1@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_0oa new x4_0ob +new a6a new a6b new a7a new a7b +new a8a new a8b new a9a new a9b +new a10a new a10b +new T@ untetheredbind, untetheredunbind +new Tx4_0o@ tetheredbind, tetheredunbind +new Ta6@ tetheredbind, tetheredunbind +new Ta7@ tetheredbind, tetheredunbind +new Ta8@ tetheredbind, tetheredunbind +new Ta9@ tetheredbind, tetheredunbind +new Ta10@ tetheredbind, tetheredunbind +new Tlsb_0@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT.crn new file mode 100644 index 0000000..1c13319 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT.crn @@ -0,0 +1,215 @@ +directive sample 0.0,36000.0 2000 +directive plot ""; ""; ""; "" + +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" 20.0 | +init "{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" 20.0 | +init "{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" 20.0 | +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta2^]" 20.0 | +init "{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" 20.0 | +init "{T^*}[x3_0a]:[x3_0b T^]:[x4_0a]:[x4_0b Tmsb_0^]" 20.0 | +init "{T^*}[x4_0a]:[x4_0b Tx4_0o^]:[Fa]:[Fb Tx4_0o^]" 20.0 | +init "" 20.0 | +init "{T^*}[x4_1a]:[x4_1b Tx4_1o^]:[Fa]:[Fb Tx4_1o^]" 20.0 | +init "" 20.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x2_1a]:[x2_1b Ta6^]" 20.0 | +init "{T^*}[x1_1a]:[x1_1b Ta6^]" 20.0 | +init "{Ta8^*}[a8a]:[a8b Ta10^]" 20.0 | +init "{Ta7^*}[a7a]:[a7b Ta10^]" 20.0 | +init "{T^*}[x2_1a]:[x2_1b Ta1^]" 20.0 | +init "{T^*}[x1_1a]:[x1_1b Ta1^]" 20.0 | +init "{T^*}[x3_0a]:[x3_0b Ta3^]" 20.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" 20.0 | +init "{Ta5^*}[a5a]:[a5b Tlsb_1^]" 20.0 | +init "{Ta4^*}[a4a]:[a4b Tlsb_1^]" 20.0 | +init "{T^*}[x4_1a]:[x4_1b Tmsb_1^]" 20.0 | +init "{T^*}[x3_1a]:[x3_1b Tmsb_1^]" 20.0 | +init "{Tlsb_0^*}[LSB_0a LSB_0b]" 20.0 | +init "{Tlsb_1^*}[LSB_1a LSB_1b]" 20.0 | +init "{Tmsb_0^*}[MSB_0a MSB_0b]" 20.0 | +init "{Tmsb_1^*}[MSB_1a MSB_1b]" 20.0 | +init "" 0.0 | +init "[T^ x4_0a x4_0b]{Tx4_0o^*}:[Fa]:[Fb Tx4_0o^]" 0.0 | +init "[T^ x4_0a x4_0b]:[Tx4_0o^ Fa Fb]{Tx4_0o^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 20.0 | +init "[T^ x4_1a x4_1b]{Tx4_1o^*}:[Fa]:[Fb Tx4_1o^]" 0.0 | +init "[T^ x4_1a x4_1b]:[Tx4_1o^ Fa Fb]{Tx4_1o^*}" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" 0.0 | +init "[T^ x4_1a x4_1b]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 0.0 | +init "[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" 0.0 | +init "[T^ x3_0a x3_0b]:[T^ x4_0a x4_0b]{Tmsb_0^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_0^ MSB_0a MSB_0b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_0a x3_0b]{Ta3^*}" 0.0 | +init "" 0.0 | +init "" 20.0 | +init "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" 0.0 | +init "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta8^ a8a a8b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x3_1a x3_1b]{Tmsb_1^*}" 0.0 | +init "" 0.0 | +init "[Tmsb_1^ MSB_1a MSB_1b]" 0.0 | +init "" 20.0 | +init "" 0.0 | +init "[T^ x2_1a x2_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x2_1a x2_1b]{Ta1^*}" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta5^ a5a a5b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 20.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta7^ a7a a7b]{Ta10^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta2^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_1a x1_1b]{Ta6^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x1_1a x1_1b]{Ta1^*}" 0.0 | +init "" 0.0 | +init "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" 0.0 | +init "{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 20.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta4^ a4a a4b]{Tlsb_1^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_1^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" 0.0 | +init "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" 0.0 | +init "{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" 20.0 | +init "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tlsb_0^ LSB_0a LSB_0b]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" 0.0 | +init "{T^*}[x3_0a]:[x3_0b Ta9^]" 20.0 | +init "[T^ x3_0a x3_0b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "{Ta6^*}[a6a]:[a6b Ta9^]" 20.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" 0.0 | +init "[Ta6^ a6a a6b]{Ta9^*}" 0.0 | +"{T^*}[x4_0a]:[x4_0b Tx4_0o^]:[Fa]:[Fb Tx4_0o^]" + "" ->{0.0003} "[T^ x4_0a x4_0b]{Tx4_0o^*}:[Fa]:[Fb Tx4_0o^]" + "" + "" | +"[T^ x4_0a x4_0b]{Tx4_0o^*}:[Fa]:[Fb Tx4_0o^]" + "" ->{0.0003} "[T^ x4_0a x4_0b]:[Tx4_0o^ Fa Fb]{Tx4_0o^*}" + "" + "" | +"{T^*}[x4_1a]:[x4_1b Tx4_1o^]:[Fa]:[Fb Tx4_1o^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]{Tx4_1o^*}:[Fa]:[Fb Tx4_1o^]" + "" + "" | +"{T^*}[x4_1a]:[x4_1b Tmsb_1^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]{Tmsb_1^*}" + "" + "" | +"[T^ x4_1a x4_1b]{Tx4_1o^*}:[Fa]:[Fb Tx4_1o^]" + "" ->{0.0003} "[T^ x4_1a x4_1b]:[Tx4_1o^ Fa Fb]{Tx4_1o^*}" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob Ta3^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{Ta3^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0003} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T^*}[x3_0a]:[x3_0b T^]:[x4_0a]:[x4_0b Tmsb_0^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" + "" + "" | +"{T^*}[x3_0a]:[x3_0b Ta3^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{Ta3^*}" + "" + "" | +"[T^ x3_0a x3_0b]{T^*}:[x4_0a]:[x4_0b Tmsb_0^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]:[T^ x4_0a x4_0b]{Tmsb_0^*}" + "" + "" | +"{Tmsb_0^*}[MSB_0a MSB_0b]" + "" ->{0.0003} "[Tmsb_0^ MSB_0a MSB_0b]" + "" | +"{T^*}[x3_1a]:[x3_1b Tx4_0o^]:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" + "" | +"{T^*}[x3_1a]:[x3_1b Tmsb_1^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]{Tmsb_1^*}" + "" + "" | +"[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" + "" + "" | +"[T^ x3_1a x3_1b]{Tx4_0o^*}:[x4_0oa]:[x4_0ob Ta8^]" + "" ->{0.0003} "[T^ x3_1a x3_1b]:[Tx4_0o^ x4_0oa x4_0ob]{Ta8^*}" + "" + "" | +"{Ta8^*}[a8a]:[a8b Ta10^]" + "" ->{0.0003} "[Ta8^ a8a a8b]{Ta10^*}" + "" + "" | +"{Tmsb_1^*}[MSB_1a MSB_1b]" + "" ->{0.0003} "[Tmsb_1^ MSB_1a MSB_1b]" + "" | +"{T^*}[x2_1a]:[x2_1b Ta6^]" + "" ->{0.0003} "[T^ x2_1a x2_1b]{Ta6^*}" + "" + "" | +"{T^*}[x2_1a]:[x2_1b Ta1^]" + "" ->{0.0003} "[T^ x2_1a x2_1b]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Ta5^*}[a5a]:[a5b Tlsb_1^]" + "" ->{0.0003} "[Ta5^ a5a a5b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0003} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b Ta2^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta7^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta7^*}" + "" + "" | +"{Ta7^*}[a7a]:[a7b Ta10^]" + "" ->{0.0003} "[Ta7^ a7a a7b]{Ta10^*}" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b Ta2^]" + "" ->{0.0003} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{Ta2^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta6^]" + "" ->{0.0003} "[T^ x1_1a x1_1b]{Ta6^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b Ta1^]" + "" ->{0.0003} "[T^ x1_1a x1_1b]{Ta1^*}" + "" + "" | +"{Ta1^*}[a1a]:[a1b Ta3^]:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"[Ta1^ a1a a1b]{Ta3^*}:[a3a]:[a3b Ta5^]" + "" ->{0.0003} "[Ta1^ a1a a1b]:[Ta3^ a3a a3b]{Ta5^*}" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" + "" | +"{Tx4_1o^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" + "" + "" | +"{Ta4^*}[a4a]:[a4b Tlsb_1^]" + "" ->{0.0003} "[Ta4^ a4a a4b]{Tlsb_1^*}" + "" + "" | +"{Tlsb_1^*}[LSB_1a LSB_1b]" + "" ->{0.0003} "[Tlsb_1^ LSB_1a LSB_1b]" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b Ta2^]:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" + "" | +"[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{Ta2^*}:[a2a]:[a2b Ta4^]" + "" ->{0.0003} "[Tx4_1o^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[Ta2^ a2a a2b]{Ta4^*}" + "" + "" | +"{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" + "" ->{0.0003} "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" + "" + "" | +"{Tx4_0o^*}[x4_0oa]:[x4_0ob Ta9^]" + "" ->{0.0003} "[Tx4_0o^ x4_0oa x4_0ob]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Tlsb_0^*}[LSB_0a LSB_0b]" + "" ->{0.0003} "[Tlsb_0^ LSB_0a LSB_0b]" + "" | +"{T^*}[x3_0a]:[x3_0b Ta9^]" + "" ->{0.0003} "[T^ x3_0a x3_0b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0003} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta6^*}[a6a]:[a6b Ta9^]" + "" ->{0.0003} "[Ta6^ a6a a6b]{Ta9^*}" + "" + "" | +"{Ta9^*}[a9a]:[a9b Ta10^]:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" | +"[Ta9^ a9a a9b]{Ta10^*}:[a10a]:[a10b Tlsb_0^]" + "" ->{0.0003} "[Ta9^ a9a a9b]:[Ta10^ a10a a10b]{Tlsb_0^*}" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT.dna new file mode 100644 index 0000000..8dbe2b3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/SQRT.dna @@ -0,0 +1,122 @@ +(*------------------------------------------------------------------------------------ +Circuit : 4 bit square root in dual rail logic +Description : No private domains are used. Modified FANOUT2 gate is used. +Notes : Use Compilation: Infinite; Set lower copies for simulation +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 12 (* Input number *) +def Copies = 20 (* Number of copies of the circuit *) +def ON = 20 (* Input concentration *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = 0.0 +def x2 = 0.0 +def x3 = 1.0 +def x4 = 1.0 + +def MSB(N) = +( N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +( N * FANOUT2(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +( N * FANOUT2(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def Input() = +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | + Input() + | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Square Root.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Square Root.crn new file mode 100644 index 0000000..91b5a8d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Square Root.crn @@ -0,0 +1,150 @@ +directive sample 0.0,5000.0 1000 +directive plot "" +directive simulation cme +directive parameters + [ c0 = 50.0 + ; c = 50.0 ] +directive sweep sweep_1 = + { c = [50.0, 500.0, 5000.0, 50000.0] } + +init "{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" 1.0 | +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b T^]" 1.0 | +init "" 1.0 | +init "{T^*}[x4_1a]:[x4_1b T^]" 2.0 | +init "{T^*}[x4_1a x4_1b T^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[a5a]:[a5b T^]" 1.0 | +init "{T^*}[a4a]:[a4b T^]" 1.0 | +init "{T^*}[x3_0a]:[x3_0b T^]" 1.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]" 1.0 | +init "[T^ x4_1oa x4_1ob]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" 0.0 | +init "" 0.0 | +init "[T^ a5a a5b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[x2_1a]:[x2_1b T^]" 1.0 | +init "{T^*}[x1_1a]:[x1_1b T^]" 1.0 | +init "{T^*}[LSB_1a LSB_1b]" 1.0 | +init "[T^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init constant "" (c0 / c) | +init constant "" 0.0 | +init "[T^ x4_1a x4_1b]{T^*}" 0.0 | +init constant "" (c0 / c) | +init "[T^ x3_0a x3_0b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" 0.0 | +init constant "" 0.0 | +init constant "" (c0 / c) | +init "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a x2_0b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init constant "" 0.0 | +init "[T^ x2_1a x2_1b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" 0.0 | +init "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" 0.0 | +init "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init constant "" (c0 / c) | +init "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b T^]" 0.0 | +init "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init constant "" 0.0 | +init "[T^ x1_1a x1_1b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" 0.0 | +init "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" 0.0 | +init "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" 1.0 | +init "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" 0.0 | +init "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" 0.0 | +init "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ a4a a4b]{T^*}" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ LSB_1a LSB_1b]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" 0.0 | +init "" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" 0.0 | +init "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" 0.0 | +"{T^*}[x4_1a]:[x4_1b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1a x4_1b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" + "" ->{(1E-09 * c)} "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" + "" | +"{T^*}[a5a]:[a5b T^]" + "" ->{(c * 5E-05)} "[T^ a5a a5b]{T^*}" + "" + "" | +"{T^*}[LSB_1a LSB_1b]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ LSB_1a LSB_1b]" + "" | +"{T^*}[x4_1a]:[x4_1b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1a x4_1b]{T^*}" + "" + "" | +"{T^*}[x4_1a x4_1b T^]" + "" <->{(c * 5E-05)}{(c * 5E-05)} "[T^ x4_1a x4_1b]{T^*}" + "" | +"{T^*}[x3_0a]:[x3_0b T^]" + "" ->{(c * 5E-05)} "[T^ x3_0a x3_0b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" + "" ->{(1E-09 * c)} "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b T^]" + "" ->{(1E-09 * c)} "{T^*}[x1_0a]:[x1_0b T^]:[x2_0a x2_0b]{T^*}" + "" + "" | +"{T^*}[x2_1a]:[x2_1b T^]" + "" ->{(c * 5E-05)} "[T^ x2_1a x2_1b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a]:[x2_0b T^]" + "" ->{(c * 5E-05)} "[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b T^]" + "" + "" | +"{T^*}[x1_0a]:[x1_0b T^]:[x2_0a x2_0b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{T^*}" + "" + "" | +"[T^ x1_0a x1_0b]{T^*}:[x2_0a]:[x2_0b T^]" + "" ->{(c * 5E-05)} "[T^ x1_0a x1_0b]:[T^ x2_0a x2_0b]{T^*}" + "" + "" | +"{T^*}[x1_1a]:[x1_1b T^]" + "" ->{(c * 5E-05)} "[T^ x1_1a x1_1b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"{T^*}[a1a]:[a1b T^]:[a3a a3b]{T^*}" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" ->{(c * 5E-05)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" + "" | +"[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]{T^*}:[a3a]:[a3b T^]" + "" | +"[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" | +"[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" | +"[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ a1a a1b]:[T^ a3a a3b]{T^*}" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[a4a]:[a4b T^]" + "" ->{(c * 5E-05)} "[T^ a4a a4b]{T^*}" + "" + "" | +"[T^ LSB_1a LSB_1b]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "[T^ LSB_1a LSB_1b]" + "" | +"{T^*}[LSB_1a LSB_1b]" + "" <->{(c * 5E-05)}{(1E-09 * c)} "[T^ LSB_1a LSB_1b]" + "" | +"[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a]:[a2b T^]" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]:[T^ x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" ->{(c * 5E-05)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]{T^*}:[a2a]:[a2b T^]" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(c * 5E-05)} "[T^ x4_1oa x4_1ob]{T^*}:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" <->{(1E-09 * c)}{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" | +"{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a]:[x3_1b T^]:[a2a a2b]{T^*}" + "" ->{(1E-09 * c)} "{T^*}[x4_1oa]:[x4_1ob T^]:[x3_1a x3_1b]:[T^ a2a a2b]{T^*}" + "" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Square Root.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Square Root.dna new file mode 100644 index 0000000..6b4bdda --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Square Root.dna @@ -0,0 +1,159 @@ +directive duration 5000.0 points 1000 +directive simulation cme +directive compilation infinite +directive declare + +directive polymers +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(* Defining speedup factor *) +directive parameters [c0 = 50.0;c = 50.0] +directive sweep c = [50.0, 500.0, 5000.0, 50000.0] (*, 500000.0, 5000000.0] *) + +(* Input number *) +def num = 0 + +(* Binary Conversion *) +def x1 = 0.0 +def x2 = 0.0 +def x3 = 0.0 +def x4 = 0.0 + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def untetheredbind = c * bind +def untetheredunbind = unbind +def tetheredbind = c * bind +def tetheredunbind = unbind + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = + +def CIN = c0 / c +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = ( + constant CIN * (1.0-(x)) * STRAND(T, x_0a, x_0b) +| constant CIN * (x) * STRAND(T, x_1a, x_1b)) + +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] ) + +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] +| {Ti3^*}[Input3a]:[Input3b To^] ) + +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] + +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] + +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = ({Ti^*}[Inputa]:[Inputb To^] ) + +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = ((Degree-1) * +| Degree * {Ti^*}[Inputa]:[Inputb To^]) + +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +def MSB1() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_1a new MSB_1b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, T, MSB_1a, MSB_1b) +| REPORTER(T, MSB_1a, MSB_1b) +) + +def MSB0() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_0a new MSB_0b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, T, MSB_0a, MSB_0b) +| REPORTER(T, MSB_0a, MSB_0b) +) + +def MSB() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_0a new MSB_0b new MSB_1a new MSB_1b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, T, MSB_0a, MSB_0b) +| REPORTER(T, MSB_0a, MSB_0b) +| OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, T, MSB_1a, MSB_1b) +| REPORTER(T, MSB_1a, MSB_1b) +) + +def LSB1() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_1oa new x4_1ob new LSB_1a new LSB_1b +new a1a new a1b new a2a new a2b +new a3a new a3b new a4a new a4b +new a5a new a5b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| FANOUT(T, x4_1a, x4_1b, T, x4_1oa, x4_1ob, 2) +| OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, T, a1a, a1b) +| AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, T, a2a, a2b) +| OR (T, x4_1oa, x4_1ob, T, x3_0a, x3_0b, T, a3a, a3b) +| THREEINPUTAND(T, x4_1oa, x4_1ob, T, x3_1a, x3_1b, T, a2a, a2b, T, a4a, a4b) +| AND(T, a1a, a1b, T, a3a, a3b, T, a5a, a5b) +| OR(T, a4a, a4b, T, a5a, a5b, T, LSB_1a, LSB_1b) +| REPORTER(T, LSB_1a, LSB_1b) +) + +def LSB0() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_0oa new x4_0ob new LSB_0a new LSB_0b +new a6a new a6b new a7a new a7b +new a8a new a8b new a9a new a9b +new a10a new a10b +new T@ untetheredbind, untetheredunbind + +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| FANOUT(T, x4_0a, x4_0b, T, x4_0oa, x4_0ob, 2) +| OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, T, a6a, a6b) +| AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, T, a7a, a7b) +| AND (T, x3_1a, x3_1b, T, x4_0oa, x4_0ob, T, a8a, a8b) +| THREEINPUTOR(T, a6a, a6b, T, x3_0a, x3_0b, T, x4_0oa, x4_0ob, T, a9a, a9b) +| OR(T, a7a, a7b, T, a8a, a8b, T, a10a, a10b) +| AND(T, a9a, a9b, T, a10a, a10b, T, LSB_0a, LSB_0b) +| REPORTER(T, LSB_0a, LSB_0b) +) + +def SQUAREROOT() = ( LSB0() | LSB1() | MSB() ) + +LSB1() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer Composition.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer Composition.crn new file mode 100644 index 0000000..878eeed --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer Composition.crn @@ -0,0 +1,33 @@ +directive sample 0.0,5000.0 1000 +directive plot ""; "
"; "" +directive scale 1000.0 + +init "" 1.0 | +init "{tx^*}[x ta^]:[a ty^]" 10.0 | +init "[tx^ x]:[ta^]:[a ty^]" 0.0 | +init "[tx^ x]{ta^*}:[a ty^]" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "[tx^ x]:[ta^ a ty^]" 0.0 | +init "" 0.0 | +init "[x]{ta^*}" 10.0 | +init "[x ta^]" 0.0 | +init "" 0.0 | +init "{ty^*}[y ta.2^]:[a.1 tz^]" 10.0 | +init "[ty^ y]:[ta.2^]:[a.1 tz^]" 0.0 | +init "[ty^ y]{ta.2^*}:[a.1 tz^]" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "[ty^ y]:[ta.2^ a.1 tz^]" 0.0 | +init "" 0.0 | +init "[y]{ta.2^*}" 10.0 | +init "[y ta.2^]" 0.0 | +init "" 0.0 | +"{tx^*}[x ta^]:[a ty^]" + "" <->{0.0003}{0.1126} "[tx^ x]:[ta^]:[a ty^]" | +"[tx^ x]:[ta^]:[a ty^]" <->{0.1126}{0.0003} "[tx^ x]{ta^*}:[a ty^]" + "" | +"[tx^ x]{ta^*}:[a ty^]" + "" ->{0.0003} "[tx^ x]:[ta^ a ty^]" + "" | +"[x]{ta^*}" + "" ->{0.0003} "[x ta^]" + "" | +"{ty^*}[y ta.2^]:[a.1 tz^]" + "" <->{0.0003}{0.1126} "[ty^ y]:[ta.2^]:[a.1 tz^]" | +"[ty^ y]:[ta.2^]:[a.1 tz^]" <->{0.1126}{0.0003} "[ty^ y]{ta.2^*}:[a.1 tz^]" + "" | +"[ty^ y]{ta.2^*}:[a.1 tz^]" + "" ->{0.0003} "[ty^ y]:[ta.2^ a.1 tz^]" + "" | +"[y]{ta.2^*}" + "" ->{0.0003} "[y ta.2^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer Composition.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer Composition.dna new file mode 100644 index 0000000..6562bd7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer Composition.dna @@ -0,0 +1,20 @@ +directive duration 5000.0 points 1000 +directive plot <_ tx^ x>; <_ ty^ y>; <_ tz^ z> +directive scale 1000.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind + +def Tr(N, tx,x, ty,y) = +new a new ta@bind,unbind +( N * {tx^*}:[x ta^]:[a ty^] +| N * +| N * [x]:{ta^*} +) + +( Tr(10, tx,x, ty,y) +| Tr(10, ty,y, tz,z) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer.crn new file mode 100644 index 0000000..d1bd8eb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer.crn @@ -0,0 +1,19 @@ +directive sample 0.0,5000.0 1000 +directive plot ""; "" +directive scale 1000.0 + +init "" 1.0 | +init "{tx^*}[x ta^]:[a ty^]" 10.0 | +init "[tx^ x]:[ta^]:[a ty^]" 0.0 | +init "[tx^ x]{ta^*}:[a ty^]" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "[tx^ x]:[ta^ a ty^]" 0.0 | +init "" 0.0 | +init "[x]{ta^*}" 10.0 | +init "[x ta^]" 0.0 | +init "" 0.0 | +"{tx^*}[x ta^]:[a ty^]" + "" <->{0.0003}{0.1126} "[tx^ x]:[ta^]:[a ty^]" | +"[tx^ x]:[ta^]:[a ty^]" <->{0.1126}{0.0003} "[tx^ x]{ta^*}:[a ty^]" + "" | +"[tx^ x]{ta^*}:[a ty^]" + "" ->{0.0003} "[tx^ x]:[ta^ a ty^]" + "" | +"[x]{ta^*}" + "" ->{0.0003} "[x ta^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer.dna new file mode 100644 index 0000000..8cde4b4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Transducer.dna @@ -0,0 +1,17 @@ +directive duration 5000.0 points 1000 +directive plot <_ tx^ x>; <_ ty^ y> +directive scale 1000.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new tx@bind,unbind +new ty@bind,unbind + +def Tr(N, tx,x, ty,y) = + new a new ta@bind,unbind + ( N * {tx^*}:[x ta^]:[a ty^] + | N * + | N * [x]:{ta^*} ) + +( Tr(10,tx,x,ty,y) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Fork_Join.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Fork_Join.crn new file mode 100644 index 0000000..d63aa67 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Fork_Join.crn @@ -0,0 +1,161 @@ +directive sample 0.0,300.0 1000 +directive plot ""; ""; ""; "" + +init "" 1.0 | +init "" 1.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[x t^]:[a t^]:[a]" 10.0 | +init "[t^ x]{t^*}:[a t^]:[a]" 0.0 | +init "[t^ x]:[t^ a]{t^*}:[a]" 0.0 | +init "[t^ x]:[t^ a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]:[t^ z]:[t^ y]:[t^ a]{t^*}" 10.0 | +init "[x]:[t^ z]:[t^ y]{t^*}:[a t^]" 0.0 | +init "[x]:[t^ z]{t^*}:[y t^]:[a t^]" 0.0 | +init "[x]{t^*}:[z t^]:[y t^]:[a t^]" 0.0 | +init "[x t^]:[z t^]:[y t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[u t^]:[a.1 t^]:[a.1]" 10.0 | +init "[t^ u]{t^*}:[a.1 t^]:[a.1]" 0.0 | +init "[t^ u]:[t^ a.1]{t^*}:[a.1]" 0.0 | +init "[t^ u]:[t^ a.1]:[t^ a.1]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[u]:[t^ w]:[t^ v]:[t^ a.1]{t^*}" 10.0 | +init "[u]:[t^ w]:[t^ v]{t^*}:[a.1 t^]" 0.0 | +init "[u]:[t^ w]{t^*}:[v t^]:[a.1 t^]" 0.0 | +init "[u]{t^*}:[w t^]:[v t^]:[a.1 t^]" 0.0 | +init "[u t^]:[w t^]:[v t^]:[a.1 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[y t^]:[v t^]:[a.2 t^]:[a.2]" 10.0 | +init "[t^ y]{t^*}:[v t^]:[a.2 t^]:[a.2]" 0.0 | +init "[t^ y]:[t^ v]{t^*}:[a.2 t^]:[a.2]" 0.0 | +init "[t^ y]:[t^ v]:[t^ a.2]{t^*}:[a.2]" 0.0 | +init "[t^ y]:[t^ v]:[t^ a.2]:[t^ a.2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[y]:[t^ b]:[t^ yv]:[t^ a.2]{t^*}" 10.0 | +init "[y]:[t^ b]:[t^ yv]{t^*}:[a.2 t^]" 0.0 | +init "[y]:[t^ b]{t^*}:[yv t^]:[a.2 t^]" 0.0 | +init "[y]{t^*}:[b t^]:[yv t^]:[a.2 t^]" 0.0 | +init "[y t^]:[b t^]:[yv t^]:[a.2 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b v]{t^*}" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[y t^]:[w t^]:[a.3 t^]:[a.3]" 10.0 | +init "[t^ y]{t^*}:[w t^]:[a.3 t^]:[a.3]" 0.0 | +init "[t^ y]:[t^ w]{t^*}:[a.3 t^]:[a.3]" 0.0 | +init "[t^ y]:[t^ w]:[t^ a.3]{t^*}:[a.3]" 0.0 | +init "[t^ y]:[t^ w]:[t^ a.3]:[t^ a.3]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[y]:[t^ b.4]:[t^ yw]:[t^ a.3]{t^*}" 10.0 | +init "[y]:[t^ b.4]:[t^ yw]{t^*}:[a.3 t^]" 0.0 | +init "[y]:[t^ b.4]{t^*}:[yw t^]:[a.3 t^]" 0.0 | +init "[y]{t^*}:[b.4 t^]:[yw t^]:[a.3 t^]" 0.0 | +init "[y t^]:[b.4 t^]:[yw t^]:[a.3 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b.4 w]{t^*}" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[z t^]:[v t^]:[a.5 t^]:[a.5]" 10.0 | +init "[t^ z]{t^*}:[v t^]:[a.5 t^]:[a.5]" 0.0 | +init "[t^ z]:[t^ v]{t^*}:[a.5 t^]:[a.5]" 0.0 | +init "[t^ z]:[t^ v]:[t^ a.5]{t^*}:[a.5]" 0.0 | +init "[t^ z]:[t^ v]:[t^ a.5]:[t^ a.5]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[z]:[t^ b.6]:[t^ zv]:[t^ a.5]{t^*}" 10.0 | +init "[z]:[t^ b.6]:[t^ zv]{t^*}:[a.5 t^]" 0.0 | +init "[z]:[t^ b.6]{t^*}:[zv t^]:[a.5 t^]" 0.0 | +init "[z]{t^*}:[b.6 t^]:[zv t^]:[a.5 t^]" 0.0 | +init "[z t^]:[b.6 t^]:[zv t^]:[a.5 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b.6 v]{t^*}" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "" 10.0 | +init "{t^*}[z t^]:[w t^]:[a.7 t^]:[a.7]" 10.0 | +init "[t^ z]{t^*}:[w t^]:[a.7 t^]:[a.7]" 0.0 | +init "[t^ z]:[t^ w]{t^*}:[a.7 t^]:[a.7]" 0.0 | +init "[t^ z]:[t^ w]:[t^ a.7]{t^*}:[a.7]" 0.0 | +init "[t^ z]:[t^ w]:[t^ a.7]:[t^ a.7]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[z]:[t^ b.8]:[t^ zw]:[t^ a.7]{t^*}" 10.0 | +init "[z]:[t^ b.8]:[t^ zw]{t^*}:[a.7 t^]" 0.0 | +init "[z]:[t^ b.8]{t^*}:[zw t^]:[a.7 t^]" 0.0 | +init "[z]{t^*}:[b.8 t^]:[zw t^]:[a.7 t^]" 0.0 | +init "[z t^]:[b.8 t^]:[zw t^]:[a.7 t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "{t^*}[b.8 w]{t^*}" 10.0 | +"[t^ x]:[t^ a]{t^*}:[a]" + "" ->{1.0} "[t^ x]:[t^ a]:[t^ a]" + "" | +"[t^ x]{t^*}:[a t^]:[a]" + "" <->{1.0}{1.0} "[t^ x]:[t^ a]{t^*}:[a]" + "" | +"{t^*}[x t^]:[a t^]:[a]" + "" <->{1.0}{1.0} "[t^ x]{t^*}:[a t^]:[a]" + "" | +"[x]:[t^ z]:[t^ y]:[t^ a]{t^*}" + "" <->{1.0}{1.0} "[x]:[t^ z]:[t^ y]{t^*}:[a t^]" + "" | +"[x]{t^*}:[z t^]:[y t^]:[a t^]" + "" ->{1.0} "[x t^]:[z t^]:[y t^]:[a t^]" + "" | +"[x]:[t^ z]{t^*}:[y t^]:[a t^]" + "" <->{1.0}{1.0} "[x]{t^*}:[z t^]:[y t^]:[a t^]" + "" | +"[x]:[t^ z]:[t^ y]{t^*}:[a t^]" + "" <->{1.0}{1.0} "[x]:[t^ z]{t^*}:[y t^]:[a t^]" + "" | +"[t^ u]:[t^ a.1]{t^*}:[a.1]" + "" ->{1.0} "[t^ u]:[t^ a.1]:[t^ a.1]" + "" | +"[t^ u]{t^*}:[a.1 t^]:[a.1]" + "" <->{1.0}{1.0} "[t^ u]:[t^ a.1]{t^*}:[a.1]" + "" | +"{t^*}[u t^]:[a.1 t^]:[a.1]" + "" <->{1.0}{1.0} "[t^ u]{t^*}:[a.1 t^]:[a.1]" + "" | +"[u]:[t^ w]:[t^ v]:[t^ a.1]{t^*}" + "" <->{1.0}{1.0} "[u]:[t^ w]:[t^ v]{t^*}:[a.1 t^]" + "" | +"[u]{t^*}:[w t^]:[v t^]:[a.1 t^]" + "" ->{1.0} "[u t^]:[w t^]:[v t^]:[a.1 t^]" + "" | +"[u]:[t^ w]{t^*}:[v t^]:[a.1 t^]" + "" <->{1.0}{1.0} "[u]{t^*}:[w t^]:[v t^]:[a.1 t^]" + "" | +"[u]:[t^ w]:[t^ v]{t^*}:[a.1 t^]" + "" <->{1.0}{1.0} "[u]:[t^ w]{t^*}:[v t^]:[a.1 t^]" + "" | +"{t^*}[y t^]:[v t^]:[a.2 t^]:[a.2]" + "" <->{1.0}{1.0} "[t^ y]{t^*}:[v t^]:[a.2 t^]:[a.2]" + "" | +"[t^ y]{t^*}:[v t^]:[a.2 t^]:[a.2]" + "" <->{1.0}{1.0} "[t^ y]:[t^ v]{t^*}:[a.2 t^]:[a.2]" + "" | +"[t^ y]:[t^ v]:[t^ a.2]{t^*}:[a.2]" + "" ->{1.0} "[t^ y]:[t^ v]:[t^ a.2]:[t^ a.2]" + "" | +"[t^ y]:[t^ v]{t^*}:[a.2 t^]:[a.2]" + "" <->{1.0}{1.0} "[t^ y]:[t^ v]:[t^ a.2]{t^*}:[a.2]" + "" | +"[y]:[t^ b]:[t^ yv]:[t^ a.2]{t^*}" + "" <->{1.0}{1.0} "[y]:[t^ b]:[t^ yv]{t^*}:[a.2 t^]" + "" | +"[y]{t^*}:[b t^]:[yv t^]:[a.2 t^]" + "" ->{1.0} "[y t^]:[b t^]:[yv t^]:[a.2 t^]" + "" | +"[y]:[t^ b]{t^*}:[yv t^]:[a.2 t^]" + "" <->{1.0}{1.0} "[y]{t^*}:[b t^]:[yv t^]:[a.2 t^]" + "" | +"[y]:[t^ b]:[t^ yv]{t^*}:[a.2 t^]" + "" <->{1.0}{1.0} "[y]:[t^ b]{t^*}:[yv t^]:[a.2 t^]" + "" | +"{t^*}[y t^]:[w t^]:[a.3 t^]:[a.3]" + "" <->{1.0}{1.0} "[t^ y]{t^*}:[w t^]:[a.3 t^]:[a.3]" + "" | +"[t^ y]{t^*}:[w t^]:[a.3 t^]:[a.3]" + "" <->{1.0}{1.0} "[t^ y]:[t^ w]{t^*}:[a.3 t^]:[a.3]" + "" | +"[t^ y]:[t^ w]:[t^ a.3]{t^*}:[a.3]" + "" ->{1.0} "[t^ y]:[t^ w]:[t^ a.3]:[t^ a.3]" + "" | +"[t^ y]:[t^ w]{t^*}:[a.3 t^]:[a.3]" + "" <->{1.0}{1.0} "[t^ y]:[t^ w]:[t^ a.3]{t^*}:[a.3]" + "" | +"[y]:[t^ b.4]:[t^ yw]:[t^ a.3]{t^*}" + "" <->{1.0}{1.0} "[y]:[t^ b.4]:[t^ yw]{t^*}:[a.3 t^]" + "" | +"[y]{t^*}:[b.4 t^]:[yw t^]:[a.3 t^]" + "" ->{1.0} "[y t^]:[b.4 t^]:[yw t^]:[a.3 t^]" + "" | +"[y]:[t^ b.4]{t^*}:[yw t^]:[a.3 t^]" + "" <->{1.0}{1.0} "[y]{t^*}:[b.4 t^]:[yw t^]:[a.3 t^]" + "" | +"[y]:[t^ b.4]:[t^ yw]{t^*}:[a.3 t^]" + "" <->{1.0}{1.0} "[y]:[t^ b.4]{t^*}:[yw t^]:[a.3 t^]" + "" | +"{t^*}[z t^]:[v t^]:[a.5 t^]:[a.5]" + "" <->{1.0}{1.0} "[t^ z]{t^*}:[v t^]:[a.5 t^]:[a.5]" + "" | +"[t^ z]{t^*}:[v t^]:[a.5 t^]:[a.5]" + "" <->{1.0}{1.0} "[t^ z]:[t^ v]{t^*}:[a.5 t^]:[a.5]" + "" | +"[t^ z]:[t^ v]:[t^ a.5]{t^*}:[a.5]" + "" ->{1.0} "[t^ z]:[t^ v]:[t^ a.5]:[t^ a.5]" + "" | +"[t^ z]:[t^ v]{t^*}:[a.5 t^]:[a.5]" + "" <->{1.0}{1.0} "[t^ z]:[t^ v]:[t^ a.5]{t^*}:[a.5]" + "" | +"[z]:[t^ b.6]:[t^ zv]:[t^ a.5]{t^*}" + "" <->{1.0}{1.0} "[z]:[t^ b.6]:[t^ zv]{t^*}:[a.5 t^]" + "" | +"[z]{t^*}:[b.6 t^]:[zv t^]:[a.5 t^]" + "" ->{1.0} "[z t^]:[b.6 t^]:[zv t^]:[a.5 t^]" + "" | +"[z]:[t^ b.6]{t^*}:[zv t^]:[a.5 t^]" + "" <->{1.0}{1.0} "[z]{t^*}:[b.6 t^]:[zv t^]:[a.5 t^]" + "" | +"[z]:[t^ b.6]:[t^ zv]{t^*}:[a.5 t^]" + "" <->{1.0}{1.0} "[z]:[t^ b.6]{t^*}:[zv t^]:[a.5 t^]" + "" | +"{t^*}[z t^]:[w t^]:[a.7 t^]:[a.7]" + "" <->{1.0}{1.0} "[t^ z]{t^*}:[w t^]:[a.7 t^]:[a.7]" + "" | +"[t^ z]{t^*}:[w t^]:[a.7 t^]:[a.7]" + "" <->{1.0}{1.0} "[t^ z]:[t^ w]{t^*}:[a.7 t^]:[a.7]" + "" | +"[t^ z]:[t^ w]:[t^ a.7]{t^*}:[a.7]" + "" ->{1.0} "[t^ z]:[t^ w]:[t^ a.7]:[t^ a.7]" + "" | +"[t^ z]:[t^ w]{t^*}:[a.7 t^]:[a.7]" + "" <->{1.0}{1.0} "[t^ z]:[t^ w]:[t^ a.7]{t^*}:[a.7]" + "" | +"[z]:[t^ b.8]:[t^ zw]:[t^ a.7]{t^*}" + "" <->{1.0}{1.0} "[z]:[t^ b.8]:[t^ zw]{t^*}:[a.7 t^]" + "" | +"[z]{t^*}:[b.8 t^]:[zw t^]:[a.7 t^]" + "" ->{1.0} "[z t^]:[b.8 t^]:[zw t^]:[a.7 t^]" + "" | +"[z]:[t^ b.8]{t^*}:[zw t^]:[a.7 t^]" + "" <->{1.0}{1.0} "[z]{t^*}:[b.8 t^]:[zw t^]:[a.7 t^]" + "" | +"[z]:[t^ b.8]:[t^ zw]{t^*}:[a.7 t^]" + "" <->{1.0}{1.0} "[z]:[t^ b.8]{t^*}:[zw t^]:[a.7 t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Fork_Join.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Fork_Join.dna new file mode 100644 index 0000000..ca66741 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Fork_Join.dna @@ -0,0 +1,20 @@ +(*Two domain fork/join from Fig 18 of Cardelli DCM2010*) +directive duration 300.0 points 1000 +directive compilation infinite +directive plot ; ; ; ; sum([t^ _]:[_ t^]) +new t@1.0,1.0 + +def F(N, x, y, z) = new a +( N * | N * | N * +| N * {t^*}:[x t^]:[a t^]:[a] +| N * [x]:[t^ z]:[t^ y]:[t^ a]:{t^*} ) + +def J(N, x, y, z) = new a new b +( N * | N * | N * +| N * {t^*}:[x t^]:[y t^]:[a t^]:[a] +| N * [x]:[t^ b]:[t^ z]:[t^ a]:{t^*} +| N * {t^*}:[b y]:{t^*} ) + +( F(10, x, y, z) | F(10, u, v, w) | J(10, y, v, yv) +| J(10, y, w, yw) | J(10, z, v, zv) | J(10, z, w, zw) +| 1 * | 1 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Transducer.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Transducer.crn new file mode 100644 index 0000000..915006b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Transducer.crn @@ -0,0 +1,25 @@ +directive sample 0.0,10000.0 1000 +directive plot ""; "" + +init "" 1.0 | +init "" 1.0 | +init "" 1.0 | +init "{t^*}[x t^]:[a t^]:[a]" 1.0 | +init "[t^ x]{t^*}:[a t^]:[a]" 0.0 | +init "[t^ x]:[t^ a]{t^*}:[a]" 0.0 | +init "[t^ x]:[t^ a]:[t^ a]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[x]:[t^ y]:[t^ a]{t^*}" 1.0 | +init "[x]:[t^ y]{t^*}:[a t^]" 0.0 | +init "[x]{t^*}:[y t^]:[a t^]" 0.0 | +init "[x t^]:[y t^]:[a t^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +"[t^ x]:[t^ a]{t^*}:[a]" + "" ->{0.0003} "[t^ x]:[t^ a]:[t^ a]" + "" | +"[t^ x]{t^*}:[a t^]:[a]" + "" <->{0.0003}{0.0003} "[t^ x]:[t^ a]{t^*}:[a]" + "" | +"{t^*}[x t^]:[a t^]:[a]" + "" <->{0.0003}{0.0003} "[t^ x]{t^*}:[a t^]:[a]" + "" | +"[x]:[t^ y]:[t^ a]{t^*}" + "" <->{0.0003}{0.0003} "[x]:[t^ y]{t^*}:[a t^]" + "" | +"[x]{t^*}:[y t^]:[a t^]" + "" ->{0.0003} "[x t^]:[y t^]:[a t^]" + "" | +"[x]:[t^ y]{t^*}:[a t^]" + "" <->{0.0003}{0.0003} "[x]{t^*}:[y t^]:[a t^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Transducer.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Transducer.dna new file mode 100644 index 0000000..0a9e393 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Two-Domain Transducer.dna @@ -0,0 +1,18 @@ +directive duration 10000.0 points 1000 +directive compilation infinite +directive plot ; ; +new t +def T(N,x,y) = + new a (* remove for interference *) + ( N * + | N * + | N * {t^*}:[x t^]:[a t^]:[a] (* Input gate *) + | N * [x]:[t^ y]:[t^ a]:{t^*} (* Output gate *) + ) +(* + ( | T(x,y) ) + ( 2 * | T(2,x,y) ) + ( 2 * | T(2,x,y) | T(2,y,z) ) + ( | T(1,x,y) | T(1,y,z) ) +*) +( | T(1,x,y) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Ultrasensitive.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Ultrasensitive.crn new file mode 100644 index 0000000..ebc5cec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Ultrasensitive.crn @@ -0,0 +1,201 @@ +directive sample 0.0,500000.0 1000 +directive plot sum(""); sum(""); sum("") + +init "" 1000.0 | +init "" 1000.0 | +init "" 10.0 | +init "{tB^*}[B tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" 10000.0 | +init "" 10000.0 | +init "[stim]{ta^*}" 10000.0 | +init "[B]{tstim^*}" 10000.0 | +init "" 10.0 | +init "[tB^ B]:[tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]{tstim^*}:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]:[ta^ a tl1^ b tstim^ c tB^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" 0.0 | +init "[tB^ B]:[tstim^ stim]:[ta^ a tl1^ b tstim^ c tB^]" 0.0 | +init "" 0.0 | +init "[stim ta^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B tstim^]" 0.0 | +init "" 0.0 | +init "{tB.10^*}[B.11 tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 10000.0 | +init "" 10000.0 | +init "[B.11]{tl1p^*}" 10000.0 | +init "[l1p]:[tl2^ d]:[td^ l2]{ta.6^*}" 10000.0 | +init "" 10000.0 | +init "{td^*}[l2]" 10000.0 | +init "{tl2^*}[d]" 10000.0 | +init "" 10.0 | +init "[tB.10^ B.11]:[tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]{tl1p^*}:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "" 0.0 | +init "[B.11 tl1p^]" 0.0 | +init "" 0.0 | +init "{tB.18^*}[B.19 tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 10000.0 | +init "" 10000.0 | +init "[B.19]{tl2p^*}" 10000.0 | +init "[l2p]:[tl3^ d.17]:[td.16^ l3]{ta.12^*}" 10000.0 | +init "" 10000.0 | +init "{td.16^*}[l3]" 10000.0 | +init "{tl3^*}[d.17]" 10000.0 | +init "" 10.0 | +init "[tB.18^ B.19]:[tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]{tl2p^*}:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "" 0.0 | +init "[B.19 tl2p^]" 0.0 | +init "" 0.0 | +init "{tB.4^*}[B.5 tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 10000.0 | +init "" 10000.0 | +init "[l1]{ta.1^*}" 10000.0 | +init "[B.5]{tl1^*}" 10000.0 | +init "" 10.0 | +init "[tB.4^ B.5]:[tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]{tl1^*}:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]:[ta.1^ a.2 tl1p^ b.3 tB.4^]" 0.0 | +init "" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]{tl2^*}:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^ a.7 tl1^ b.8 tl2p^ c.9 tB.10^]" 0.0 | +init "" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" 0.0 | +init "[tB.4^ B.5]:[tl1^ l1]:[ta.1^ a.2 tl1p^ b.3 tB.4^]" 0.0 | +init "" 0.0 | +init "[l1 ta.1^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]{tl3^*}:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^ a.13 tl2^ b.14 tl3p^ c.15 tB.18^]" 0.0 | +init "" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" 0.0 | +init "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^ a.7 tl1^ b.8 tl2p^ c.9 tB.10^]" 0.0 | +init "" 0.0 | +init "[l1p]:[tl2^ d]:[td^ l2]:[ta.6^]" 0.0 | +init "[l1p]:[tl2^ d]{td^*}:[l2 ta.6^]" 0.0 | +init "[l1p]:[tl2^ d]:[td^]:[l2 ta.6^]" 0.0 | +init "[l1p]{tl2^*}:[d td^]:[l2 ta.6^]" 0.0 | +init "" 0.0 | +init "[tl2^ d]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td^ l2]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[l2p]:[tl3^ d.17]:[td.16^ l3]:[ta.12^]" 0.0 | +init "[l2p]:[tl3^ d.17]{td.16^*}:[l3 ta.12^]" 0.0 | +init "[l2p]:[tl3^ d.17]:[td.16^]:[l3 ta.12^]" 0.0 | +init "[l2p]{tl3^*}:[d.17 td.16^]:[l3 ta.12^]" 0.0 | +init "" 0.0 | +init "[tl3^ d.17]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td.16^ l3]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[l2p tl3^]:[d.17 td.16^]:[l3 ta.12^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[l1p tl2^]:[d td^]:[l2 ta.6^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B.5 tl1^]" 0.0 | +init "" 0.0 | +init "{tB.23^*}[B.24 tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" 10000.0 | +init "" 10000.0 | +init "[l3p]{ta.20^*}" 10000.0 | +init "[B.24]{tl3p^*}" 10000.0 | +init "" 1.0 | +init "[tB.23^ B.24]:[tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" 0.0 | +init "[tB.23^ B.24]{tl3p^*}:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" 0.0 | +init "[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" 0.0 | +init "[tB.23^ B.24]:[tl3p^ l3p]{ta.20^*}:[a.21 tl3^]:[b.22 tB.23^]" 0.0 | +init "[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^ a.21 tl3^ b.22 tB.23^]" 0.0 | +init "" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" 0.0 | +init "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^ a.13 tl2^ b.14 tl3p^ c.15 tB.18^]" 0.0 | +init "" 0.0 | +init "[l3p ta.20^]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[B.24 tl3p^]" 0.0 | +init "" 0.0 | +"{tB^*}[B tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" + "" <->{3E-05}{0.1126} "[tB^ B]:[tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" | +"[tB^ B]{tstim^*}:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" + "" <->{3E-05}{0.1126} "[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" | +"[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" + "" ->{3E-05} "[tB^ B]:[tstim^ stim]:[ta^ a tl1^ b tstim^ c tB^]" + "" + "" + "" | +"[tB^ B]{tstim^*}:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" + "" <->{3E-05}{0.1126} "[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" | +"[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" + "" ->{3E-05} "[tB^ B]:[tstim^ stim]:[ta^ a tl1^ b tstim^ c tB^]" + "" + "" + "" | +"[stim]{ta^*}" + "" ->{3E-05} "[stim ta^]" + "" | +"[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" <->{0.1126}{3E-05} "[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" + "" | +"[tB^ B]:[tstim^ stim]:[ta^]:[a tl1^]:[b tstim^]:[c tB^]" <->{0.1126}{3E-05} "[tB^ B]:[tstim^ stim]{ta^*}:[a tl1^]:[b tstim^]:[c tB^]" + "" | +"[B]{tstim^*}" + "" ->{3E-05} "[B tstim^]" + "" | +"[tB^ B]:[tstim^]:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" <->{0.1126}{3E-05} "[tB^ B]{tstim^*}:[stim ta^]:[a tl1^]:[b tstim^]:[c tB^]" + "" | +"{tB.10^*}[B.11 tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" <->{3E-05}{0.1126} "[tB.10^ B.11]:[tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" | +"[B.11]{tl1p^*}" + "" ->{3E-05} "[B.11 tl1p^]" + "" | +"[tB.10^ B.11]:[tl1p^]:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" <->{0.1126}{3E-05} "[tB.10^ B.11]{tl1p^*}:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" | +"{tB.18^*}[B.19 tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" <->{3E-05}{0.1126} "[tB.18^ B.19]:[tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" | +"[B.19]{tl2p^*}" + "" ->{3E-05} "[B.19 tl2p^]" + "" | +"[tB.18^ B.19]:[tl2p^]:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" <->{0.1126}{3E-05} "[tB.18^ B.19]{tl2p^*}:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" | +"{tB.4^*}[B.5 tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" + "" <->{3E-05}{0.1126} "[tB.4^ B.5]:[tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" | +"[tB.4^ B.5]{tl1^*}:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" + "" <->{3E-05}{0.1126} "[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" | +"[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" + "" ->{3E-05} "[tB.4^ B.5]:[tl1^ l1]:[ta.1^ a.2 tl1p^ b.3 tB.4^]" + "" + "" | +"[tB.10^ B.11]{tl1p^*}:[l1p tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" <->{3E-05}{0.1126} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" | +"[tB.10^ B.11]:[tl1p^ l1p]{tl2^*}:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" <->{3E-05}{0.1126} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" ->{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^ a.7 tl1^ b.8 tl2p^ c.9 tB.10^]" + "" + "" + "" | +"[tB.4^ B.5]{tl1^*}:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" + "" <->{3E-05}{0.1126} "[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" | +"[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" + "" ->{3E-05} "[tB.4^ B.5]:[tl1^ l1]:[ta.1^ a.2 tl1p^ b.3 tB.4^]" + "" + "" | +"[l1]{ta.1^*}" + "" ->{3E-05} "[l1 ta.1^]" + "" | +"[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" <->{0.1126}{3E-05} "[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" + "" | +"[tB.4^ B.5]:[tl1^ l1]:[ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" <->{0.1126}{3E-05} "[tB.4^ B.5]:[tl1^ l1]{ta.1^*}:[a.2 tl1p^]:[b.3 tB.4^]" + "" | +"[tB.18^ B.19]{tl2p^*}:[l2p tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" <->{3E-05}{0.1126} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" | +"[tB.18^ B.19]:[tl2p^ l2p]{tl3^*}:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" <->{3E-05}{0.1126} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" ->{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^ a.13 tl2^ b.14 tl3p^ c.15 tB.18^]" + "" + "" + "" | +"[tB.10^ B.11]:[tl1p^ l1p]{tl2^*}:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" <->{3E-05}{0.1126} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" ->{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^ a.7 tl1^ b.8 tl2p^ c.9 tB.10^]" + "" + "" + "" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" <->{0.1126}{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]:[ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" <->{0.1126}{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]:[tl2^ l2]{ta.6^*}:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" | +"[l1p]:[tl2^ d]:[td^ l2]{ta.6^*}" + "" <->{3E-05}{0.1126} "[l1p]:[tl2^ d]:[td^ l2]:[ta.6^]" | +"[l1p]:[tl2^ d]{td^*}:[l2 ta.6^]" + "" <->{3E-05}{0.1126} "[l1p]:[tl2^ d]:[td^]:[l2 ta.6^]" | +"{tl2^*}[d]" + "" ->{3E-05} "[tl2^ d]" + "" | +"[l1p]:[tl2^ d]:[td^]:[l2 ta.6^]" <->{0.1126}{3E-05} "[l1p]{tl2^*}:[d td^]:[l2 ta.6^]" + "" | +"{td^*}[l2]" + "" ->{3E-05} "[td^ l2]" + "" | +"[l1p]:[tl2^ d]:[td^ l2]:[ta.6^]" <->{0.1126}{3E-05} "[l1p]:[tl2^ d]{td^*}:[l2 ta.6^]" + "" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" <->{0.1126}{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" | +"[l2p]:[tl3^ d.17]:[td.16^ l3]{ta.12^*}" + "" <->{3E-05}{0.1126} "[l2p]:[tl3^ d.17]:[td.16^ l3]:[ta.12^]" | +"[l2p]:[tl3^ d.17]{td.16^*}:[l3 ta.12^]" + "" <->{3E-05}{0.1126} "[l2p]:[tl3^ d.17]:[td.16^]:[l3 ta.12^]" | +"{tl3^*}[d.17]" + "" ->{3E-05} "[tl3^ d.17]" + "" | +"[l2p]:[tl3^ d.17]:[td.16^]:[l3 ta.12^]" <->{0.1126}{3E-05} "[l2p]{tl3^*}:[d.17 td.16^]:[l3 ta.12^]" + "" | +"{td.16^*}[l3]" + "" ->{3E-05} "[td.16^ l3]" + "" | +"[l2p]:[tl3^ d.17]:[td.16^ l3]:[ta.12^]" <->{0.1126}{3E-05} "[l2p]:[tl3^ d.17]{td.16^*}:[l3 ta.12^]" + "" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^]:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" <->{0.1126}{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]{tl3^*}:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" | +"[l2p]{tl3^*}:[d.17 td.16^]:[l3 ta.12^]" + "" ->{3E-05} "[l2p tl3^]:[d.17 td.16^]:[l3 ta.12^]" + "" | +"[tB.10^ B.11]:[tl1p^ l1p]:[tl2^]:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" <->{0.1126}{3E-05} "[tB.10^ B.11]:[tl1p^ l1p]{tl2^*}:[l2 ta.6^]:[a.7 tl1^]:[b.8 tl2p^]:[c.9 tB.10^]" + "" | +"[l1p]{tl2^*}:[d td^]:[l2 ta.6^]" + "" ->{3E-05} "[l1p tl2^]:[d td^]:[l2 ta.6^]" + "" | +"[B.5]{tl1^*}" + "" ->{3E-05} "[B.5 tl1^]" + "" | +"[tB.4^ B.5]:[tl1^]:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" <->{0.1126}{3E-05} "[tB.4^ B.5]{tl1^*}:[l1 ta.1^]:[a.2 tl1p^]:[b.3 tB.4^]" + "" | +"{tB.23^*}[B.24 tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" + "" <->{3E-05}{0.1126} "[tB.23^ B.24]:[tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" | +"[tB.23^ B.24]{tl3p^*}:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" + "" <->{3E-05}{0.1126} "[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" | +"[tB.23^ B.24]:[tl3p^ l3p]{ta.20^*}:[a.21 tl3^]:[b.22 tB.23^]" + "" ->{3E-05} "[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^ a.21 tl3^ b.22 tB.23^]" + "" + "" | +"[tB.18^ B.19]:[tl2p^ l2p]{tl3^*}:[l3 ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" <->{3E-05}{0.1126} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" ->{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^ a.13 tl2^ b.14 tl3p^ c.15 tB.18^]" + "" + "" + "" | +"[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]:[ta.12^]:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" <->{0.1126}{3E-05} "[tB.18^ B.19]:[tl2p^ l2p]:[tl3^ l3]{ta.12^*}:[a.13 tl2^]:[b.14 tl3p^]:[c.15 tB.18^]" + "" | +"[l3p]{ta.20^*}" + "" ->{3E-05} "[l3p ta.20^]" + "" | +"[tB.23^ B.24]:[tl3p^ l3p]:[ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" <->{0.1126}{3E-05} "[tB.23^ B.24]:[tl3p^ l3p]{ta.20^*}:[a.21 tl3^]:[b.22 tB.23^]" + "" | +"[B.24]{tl3p^*}" + "" ->{3E-05} "[B.24 tl3p^]" + "" | +"[tB.23^ B.24]:[tl3p^]:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" <->{0.1126}{3E-05} "[tB.23^ B.24]{tl3p^*}:[l3p ta.20^]:[a.21 tl3^]:[b.22 tB.23^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Ultrasensitive.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Ultrasensitive.dna new file mode 100644 index 0000000..73efa1e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Ultrasensitive.dna @@ -0,0 +1,50 @@ +directive duration 500000.0 points 1000 +directive plot sum(<_ tl1p^ l1p>); sum(<_ tl2p^ l2p>); sum(<_ tl3p^ l3p>) +def bind = 0.00003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 10000 +new tstim@bind,unbind +new tl1@bind,unbind new tl1p@bind,unbind +new tl2@bind,unbind new tl2p@bind,unbind +new tl3@bind,unbind new tl3p@bind,unbind + +def BTr(M,N, tx,x, ty,y) = +new ta@bind,unbind new a new b new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +def BF2(M,N, tx,x, ty,y, tz,z) = +new ta@bind,unbind new a new b new c new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * +) + +( BF2(Buff,10, tstim,stim, tl1,l1, tstim,stim) +| BTr(Buff,10, tl1,l1, tl1p,l1p) +| BJ2x2(Buff,10, tl1p,l1p, tl2,l2, tl1,l1, tl2p,l2p) +| BJ2x2(Buff,10, tl2p,l2p, tl3,l3, tl2,l2, tl3p,l3p) +| BTr(Buff,1, tl3p,l3p, tl3,l3) +| 1000 * +| 1000 * +| 10 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Zhang_Autocatalytic.crn b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Zhang_Autocatalytic.crn new file mode 100644 index 0000000..b3b9baa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Zhang_Autocatalytic.crn @@ -0,0 +1,40 @@ +directive sample 0.0,1000.0 100 +directive plot ""; ""; "" +directive scale 500.0 + +init "" 100.0 | +init "[S6 S3^]{S4a^* S4b^*}" 100.0 | +init "[S6 S3^]:[S4a^ S4b^]" 0.0 | +init "" 100.0 | +init "[S6 S3^]:[S4a^ S4b^]" 0.0 | +init "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" 100.0 | +init "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S4b^ S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" 0.0 | +init "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S4b^ S2b^ S2c S3^ S4a^ S4b^]{S2b^*}" 0.0 | +init "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" 0.0 | +init "" 0.0 | +init "[S6 S3^ S4a^ S4b^]" 0.0 | +init "" 0.0 | +init "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" 0.0 | +init "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" 0.0 | +init "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" 0.0 | +"[S6 S3^]{S4a^* S4b^*}" + "" ->{0.0006} "[S6 S3^]:[S4a^ S4b^]" | +"[S6 S3^]{S4a^* S4b^*}" + "" ->{0.0006} "[S6 S3^]:[S4a^ S4b^]" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "" <->{0.0003}{0.1126} "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S4b^ S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "" ->{0.00042} "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" + "" | +"[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" <->{0.1126}{0.0003} "[S4b^ S2b^ S2c S3^ S4a^ S4b^]{S2b^*}" + "" | +"[S4b^ S2b^ S2c S3^ S4a^ S4b^]{S2b^*}" + "" <->{0.0003}{0.1126} "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" | +"[S4b^ S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "[S6 S3^]{S4a^* S4b^*}" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "" ->{0.00042} "[S6 S3^]:[S4a^ S4b^]" + "[S4b^ S2b^ S2c S3^ S4a^ S4b^]:[S2b^]" | +"[S6 S3^]{S4a^* S4b^*}" + "" ->{0.0006} "[S6 S3^ S4a^ S4b^]" + "" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" <->{0.04}{0.00042} "[S4b^ S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" + "[S6 S3^]{S4a^* S4b^*}" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]{S3^*}:[S4a^ S4b^ S2b^]" + "" <->{0.00042}{0.04} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "[S6 S3^]{S4a^* S4b^*}" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" <->{0.1126}{0.0003} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "" <->{0.0003}{0.1126} "[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*}" + "" <->{0.0003}{0.1126} "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" | +"[S6 S3^]:[S4a^ S4b^]::{S4b^*}[S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" <->{0.1126}{0.0003} "[S6 S3^]{S4a^* S4b^*}" + "[S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]:[S2b^]" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/Zhang_Autocatalytic.dna b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Zhang_Autocatalytic.dna new file mode 100644 index 0000000..c0165d0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/Zhang_Autocatalytic.dna @@ -0,0 +1,26 @@ +(* An auto-catalyzing circuit, with a fluorescing output, from Fig 4*) +directive duration 1000.0 points 100 +directive scale 500.0 +directive polymers +directive plot Fuel(); Autocatalyst(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} +dom S2b = { seq=TCTCCA} +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} +dom S6 = {seq=CCACATACATCATATT} + +def Fuel() = +def Autocatalyst() = +def Substrate() = [S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*} + +def Autocatalytic(N) = (N* Fuel() |N* Autocatalyst() |N* Substrate() ) + +def FluorescingAutocatalytic(N) = + (Autocatalytic(N) | N* [S6 S3^]{S4a^* S4b^*}) + +FluorescingAutocatalytic(100) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crnComparison/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/crnComparison/deterministic.tsv new file mode 100644 index 0000000..5a86730 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crnComparison/deterministic.tsv @@ -0,0 +1,1003 @@ +Time +0 1000 1000 +19.9813381894606 248.779124263017 259.630811796602 +39.9947596458901 241.805348453369 264.926839430732 +60.0102230708242 234.944209405374 270.062577198761 +80.0283062914909 227.934647230874 274.728342610453 +100.049664857283 220.832835349943 278.889409041132 +120.074826656527 213.692947834045 282.517929882866 +140.104177846858 206.566073794388 285.593199801886 +160.137957498114 199.499440257183 288.101791698684 +180.139756928996 192.548387661443 290.034474096661 +200.146025043024 185.737692768276 291.397014279953 +220.156606487908 179.100038603065 292.196510700271 +240.171248595768 172.66302734181 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104.743611329379 +19580.5725852401 158.115863547931 104.39869839963 +19600.5901458216 161.224974845392 104.149602000108 +19620.6078697526 164.406533650188 103.997876065875 +19640.6257740032 167.657512181907 103.94524105423 +19660.6438756902 170.974456512318 103.993589832906 +19680.6621919505 174.353449641768 104.144992672058 +19700.6807397773 177.790073439577 104.40170113898 +19720.6995358178 181.279369679172 104.766150654124 +19740.7185961263 184.815800467906 105.240961421892 +19760.7379358693 188.393208452495 105.828937399911 +19780.7575689722 192.004777273102 106.533062915719 +19800.7775077077 195.64299284575 107.356496481076 +19820.7977622182 199.299606169904 108.302561291195 +19840.8183399684 202.965598490358 109.374731831061 +19860.8392451253 206.631149785782 110.576615944556 +19880.8604778648 210.28561171214 111.911931657595 +19900.8820336086 213.917486291972 113.384477986095 +19920.9039021899 217.514411808693 114.998098908088 +19940.9260669673 221.06315753495 116.75663964291 +19960.9485038919 224.549629082318 118.66389436319 +19980.9711805575 227.958886305714 120.723544478878 +19999.9709846385 231.108241205649 122.822052462926 +19999.9999998 231.112979534152 122.825365727276 +20000 231.112979534152 122.825365727276 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/2-domain, DCM - Two domain fork-join.crn b/ClassicDSD/ClassicDSDTests/testData/crns/2-domain, DCM - Two domain fork-join.crn new file mode 100644 index 0000000..88fda04 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/2-domain, DCM - Two domain fork-join.crn @@ -0,0 +1,89 @@ +directive sample 0.0,300.0 1000 +directive plot sp_73; sp_60; sp_48; sp_35 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_1 1.0 | +init sp_0 1.0 | +init F_9 10.0 | +init F_8 10.0 | +init F_7 10.0 | +init F_6 10.0 | +init F_5 10.0 | +init F_4 10.0 | +init F_3 10.0 | +init F_2 10.0 | +init F_1 10.0 | +init F 10.0 | +init J_23 10.0 | +init J_22 10.0 | +init J_21 10.0 | +init J_20 10.0 | +init J_19 10.0 | +init J_18 10.0 | +init J_17 10.0 | +init J_16 10.0 | +init J_15 10.0 | +init J_14 10.0 | +init J_13 10.0 | +init J_12 10.0 | +init J_11 10.0 | +init J_10 10.0 | +init J_9 10.0 | +init J_8 10.0 | +init J_7 10.0 | +init J_6 10.0 | +init J_5 10.0 | +init J_4 10.0 | +init J_3 10.0 | +init J_2 10.0 | +init J_1 10.0 | +init J 10.0 | +F_8 + sp_1 <->{1.0}{1.0} sp_3 + sp_2 | +sp_5 + F_5 ->{1.0} sp_7 + sp_6 | +sp_3 + F_5 <->{1.0}{1.0} sp_5 + sp_4 | +F_9 + sp_4 <->{1.0}{1.0} sp_8 + F_5 | +sp_12 + sp_2 ->{1.0} sp_14 + sp_13 | +sp_10 + F_7 <->{1.0}{1.0} sp_12 + sp_11 | +sp_8 + F_6 <->{1.0}{1.0} sp_10 + sp_9 | +F_3 + sp_0 <->{1.0}{1.0} sp_16 + sp_15 | +sp_18 + F ->{1.0} sp_20 + sp_19 | +sp_16 + F <->{1.0}{1.0} sp_18 + sp_17 | +F_4 + sp_17 <->{1.0}{1.0} sp_21 + F | +sp_25 + sp_15 ->{1.0} sp_27 + sp_26 | +sp_23 + F_2 <->{1.0}{1.0} sp_25 + sp_24 | +sp_21 + F_1 <->{1.0}{1.0} sp_23 + sp_22 | +J_21 + sp_24 <->{1.0}{1.0} sp_28 + F_2 | +sp_28 + sp_11 <->{1.0}{1.0} sp_29 + F_7 | +sp_31 + J_18 ->{1.0} sp_33 + sp_32 | +sp_29 + J_18 <->{1.0}{1.0} sp_31 + sp_30 | +J_22 + sp_30 <->{1.0}{1.0} sp_34 + J_18 | +sp_38 + F_2 ->{1.0} sp_40 + sp_39 | +sp_36 + J_19 <->{1.0}{1.0} sp_38 + sp_37 | +sp_34 + J_20 <->{1.0}{1.0} sp_36 + sp_35 | +J_15 + sp_24 <->{1.0}{1.0} sp_41 + F_2 | +sp_41 + sp_9 <->{1.0}{1.0} sp_42 + F_6 | +sp_44 + J_12 ->{1.0} sp_46 + sp_45 | +sp_42 + J_12 <->{1.0}{1.0} sp_44 + sp_43 | +J_16 + sp_43 <->{1.0}{1.0} sp_47 + J_12 | +sp_51 + F_2 ->{1.0} sp_52 + sp_39 | +sp_49 + J_13 <->{1.0}{1.0} sp_51 + sp_50 | +sp_47 + J_14 <->{1.0}{1.0} sp_49 + sp_48 | +J_9 + sp_22 <->{1.0}{1.0} sp_53 + F_1 | +sp_53 + sp_11 <->{1.0}{1.0} sp_54 + F_7 | +sp_56 + J_6 ->{1.0} sp_58 + sp_57 | +sp_54 + J_6 <->{1.0}{1.0} sp_56 + sp_55 | +J_10 + sp_55 <->{1.0}{1.0} sp_59 + J_6 | +sp_63 + F_1 ->{1.0} sp_65 + sp_64 | +sp_61 + J_7 <->{1.0}{1.0} sp_63 + sp_62 | +sp_59 + J_8 <->{1.0}{1.0} sp_61 + sp_60 | +J_3 + sp_22 <->{1.0}{1.0} sp_66 + F_1 | +sp_66 + sp_9 <->{1.0}{1.0} sp_67 + F_6 | +sp_69 + J ->{1.0} sp_71 + sp_70 | +sp_67 + J <->{1.0}{1.0} sp_69 + sp_68 | +J_4 + sp_68 <->{1.0}{1.0} sp_72 + J | +sp_76 + F_1 ->{1.0} sp_77 + sp_64 | +sp_74 + J_1 <->{1.0}{1.0} sp_76 + sp_75 | +sp_72 + J_2 <->{1.0}{1.0} sp_74 + sp_73 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/2-domain, DCM - Two-domain transducer.crn b/ClassicDSD/ClassicDSDTests/testData/crns/2-domain, DCM - Two-domain transducer.crn new file mode 100644 index 0000000..3f3c268 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/2-domain, DCM - Two-domain transducer.crn @@ -0,0 +1,18 @@ +directive sample 0.0,10000.0 1000 +directive plot sp_0; sp_8 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_0 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + sp_0 <->{0.0003}{0.0003} sp_2 + sp_1 | +sp_4 + T ->{0.0003} sp_6 + sp_5 | +sp_2 + T <->{0.0003}{0.0003} sp_4 + sp_3 | +T_3 + sp_3 <->{0.0003}{0.0003} sp_7 + T | +sp_9 + sp_1 ->{0.0003} sp_11 + sp_10 | +sp_7 + T_1 <->{0.0003}{0.0003} sp_9 + sp_8 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn b/ClassicDSD/ClassicDSDTests/testData/crns/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn new file mode 100644 index 0000000..5e98311 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/2014 ACS Synth Biol - Yordanov - PI Controller - 2Domain.crn @@ -0,0 +1,249 @@ +directive sample 0.0,150000.0 1000 +directive plot ("" - ""); ("" - ""); ("" - ""); ("" - "") +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 ] + +event "" (2.0 * x0) @ 100000.0 | +event "" (2.0 * x0) @ 50000.0 | +init "{t^*}[x t^]:[x']" Cmax | +init "{t^*}[x' t^]:[x]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[r t^]:[r']" Cmax | +init "{t^*}[r' t^]:[r]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[v t^]:[v']" Cmax | +init "{t^*}[v' t^]:[v]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^*}[e t^]:[e']" Cmax | +init "{t^*}[e' t^]:[e]" Cmax | +init "" Cmax | +init "" Cmax | +init "{t^(c)*}[r u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ r]{u^*}" Cmax | +init "{t^(c)*}[e u^]:[x u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e u^]:[v u^]:[i]" Cmax | +init "{t^(c)*}[x u^]:[v u^]:[i]" Cmax | +init "[i]:[t^ x]{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v]{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[r' u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ r']{u^*}" Cmax | +init "{t^(c)*}[e' u^]:[x' u^]:[i]" Cmax | +init "" Cmax | +init "{t^(c)*}[e' u^]:[v' u^]:[i]" Cmax | +init "{t^(c)*}[x' u^]:[v' u^]:[i]" Cmax | +init "[i]:[t^ x']{u^*}" (2.0 * Cmax) | +init "[i]:[t^ v']{u^*}" (2.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[y u^]:[e' u^]:[i]" Cmax | +init "[i]:[t^ y]{u^*}" Cmax | +init "[i]:[t^ e']{u^*}" (4.0 * Cmax) | +init "" (2.0 * Cmax) | +init "{t^(c)*}[y' u^]:[e u^]:[i]" Cmax | +init "[i]:[t^ y']{u^*}" Cmax | +init "[i]:[t^ e]{u^*}" (4.0 * Cmax) | +init "" (2.0 * Cmax) | +init "" (10.0 * Cmax) | +init "" (10.0 * Cmax) | +init "{t^(c)*}[e]" Cmax | +init "{t^(c)*}[v]" Cmax | +init "{t^(c)*}[e']" Cmax | +init "{t^(c)*}[v']" Cmax | +init "" 0.0 | +init "" 0.0 | +init "" x0 | +init "[t^ r]{t^*}:[r']" 0.0 | +init "[t^(c) r]{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) r]:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) r]:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e u^]" 0.0 | +init "[i t^]:[e u^]" 0.0 | +init "" 0.0 | +init "[t^ e]{t^*}:[e']" 0.0 | +init "[t^(c) e]{u^*}:[x u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ x]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ x]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x u^]" 0.0 | +init "[i t^]:[x u^]" 0.0 | +init "" 0.0 | +init "[t^ x]{t^*}:[x']" 0.0 | +init "[t^(c) x]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) x]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) x]:[u^ v]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v u^]" 0.0 | +init "[i t^]:[v u^]" 0.0 | +init "" 0.0 | +init "[t^ v]{t^*}:[v']" 0.0 | +init "[t^(c) v]" 0.0 | +init "" 0.0 | +init "[t^(c) e]{u^*}:[v u^]:[i]" 0.0 | +init "[t^(c) e]:[u^ v]{u^*}:[i]" 0.0 | +init "[t^(c) e]:[u^ v]:[u^ i]" 0.0 | +init "[t^(c) e]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r u^]" 0.0 | +init "[i t^]:[r u^]" 0.0 | +init "" 0.0 | +init "[t^ r']{t^*}:[r]" 0.0 | +init "[t^ r']:[t^ r]" 0.0 | +init "" 0.0 | +init "[t^(c) r']{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) r']:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) r']:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[e' u^]" 0.0 | +init "[i t^]:[e' u^]" 0.0 | +init "" 0.0 | +init "[t^ e']{t^*}:[e]" 0.0 | +init "[t^ e']:[t^ e]" 0.0 | +init "[t^(c) e']{u^*}:[x' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ x']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ x']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[x' u^]" 0.0 | +init "[i t^]:[x' u^]" 0.0 | +init "" 0.0 | +init "[t^ x']{t^*}:[x]" 0.0 | +init "[t^ x']:[t^ x]" 0.0 | +init "" 0.0 | +init "[t^(c) x']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) x']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) x']:[u^ v']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[v' u^]" 0.0 | +init "[i t^]:[v' u^]" 0.0 | +init "" 0.0 | +init "[t^ v']{t^*}:[v]" 0.0 | +init "[t^ v']:[t^ v]" 0.0 | +init "[t^(c) v']" 0.0 | +init "" 0.0 | +init "[t^ v]:[t^ v']" 0.0 | +init "[t^ x]:[t^ x']" 0.0 | +init "" 0.0 | +init "[t^(c) e']{u^*}:[v' u^]:[i]" 0.0 | +init "[t^(c) e']:[u^ v']{u^*}:[i]" 0.0 | +init "[t^(c) e']:[u^ v']:[u^ i]" 0.0 | +init "[t^(c) e']" 0.0 | +init "" 0.0 | +init "[t^ e]:[t^ e']" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[r' u^]" 0.0 | +init "[i t^]:[r' u^]" 0.0 | +init "[t^ r]:[t^ r']" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[t^(c) y]{u^*}:[e' u^]:[i]" 0.0 | +init "[t^(c) y]:[u^ e']{u^*}:[i]" 0.0 | +init "[t^(c) y]:[u^ e']:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y u^]" 0.0 | +init "[i t^]:[y u^]" 0.0 | +init "" 0.0 | +init "[t^(c) y']{u^*}:[e u^]:[i]" 0.0 | +init "[t^(c) y']:[u^ e]{u^*}:[i]" 0.0 | +init "[t^(c) y']:[u^ e]:[u^ i]" 0.0 | +init "" 0.0 | +init "[i]{t^*}:[y' u^]" 0.0 | +init "[i t^]:[y' u^]" 0.0 | +"" ->{0.2} "" + "" | +"" ->{0.2} "" + "" | +"" ->{0.1} | +"" ->{0.1} | +"" + "" ->{0.1} | +"" + "" ->{0.01} "" | +"" + "" ->{0.01} "" | +"" + "" ->{1.0} | +"{t^*}[r t^]:[r']" + "" <->{kt}{kt} "[t^ r]{t^*}:[r']" + "" | +"[t^(c) r]:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) r]:[u^ e]:[u^ i]" + "" | +"[t^(c) r]{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) r]:[u^ e]{u^*}:[i]" + "" | +"[i]{t^*}:[e u^]" + "" ->{kt} "[i t^]:[e u^]" + "" | +"{t^(c)*}[e]" + "" ->{(kt * c)} "[t^(c) e]" + "" | +"[i]:[t^ e]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e u^]" + "" | +"{t^*}[e t^]:[e']" + "" <->{kt}{kt} "[t^ e]{t^*}:[e']" + "" | +"{t^(c)*}[e u^]:[x u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[x u^]:[i]" + "" | +"[t^(c) e]:[u^ x]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ x]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[x u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ x]{u^*}:[i]" + "" | +"[i]{t^*}:[x u^]" + "" ->{kt} "[i t^]:[x u^]" + "" | +"[i]:[t^ x]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x u^]" + "" | +"{t^*}[x t^]:[x']" + "" <->{kt}{kt} "[t^ x]{t^*}:[x']" + "" | +"{t^(c)*}[x u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x]{u^*}:[v u^]:[i]" + "" | +"[t^(c) x]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) x]:[u^ v]:[u^ i]" + "" | +"[t^(c) x]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) x]:[u^ v]{u^*}:[i]" + "" | +"[i]{t^*}:[v u^]" + "" ->{kt} "[i t^]:[v u^]" + "" | +"{t^(c)*}[v]" + "" ->{(kt * c)} "[t^(c) v]" + "" | +"[i]:[t^ v]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v u^]" + "" | +"{t^*}[v t^]:[v']" + "" <->{kt}{kt} "[t^ v]{t^*}:[v']" + "" | +"{t^(c)*}[e u^]:[v u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e]{u^*}:[v u^]:[i]" + "" | +"[t^(c) e]:[u^ v]{u^*}:[i]" + "" ->{ku} "[t^(c) e]:[u^ v]:[u^ i]" + "" | +"[t^(c) e]{u^*}:[v u^]:[i]" + "" <->{ku}{ku} "[t^(c) e]:[u^ v]{u^*}:[i]" + "" | +"{t^(c)*}[r u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r]{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[r u^]" + "" ->{kt} "[i t^]:[r u^]" + "" | +"[i]:[t^ r]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r u^]" + "" | +"[t^ r]{t^*}:[r']" + "" ->{kt} "[t^ r]:[t^ r']" + "" | +"{t^*}[r' t^]:[r]" + "" <->{kt}{kt} "[t^ r']{t^*}:[r]" + "" | +"[t^ r']{t^*}:[r]" + "" ->{kt} "[t^ r']:[t^ r]" + "" | +"[t^(c) r']:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) r']:[u^ e']:[u^ i]" + "" | +"[t^(c) r']{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) r']:[u^ e']{u^*}:[i]" + "" | +"[i]{t^*}:[e' u^]" + "" ->{kt} "[i t^]:[e' u^]" + "" | +"{t^(c)*}[e']" + "" ->{(kt * c)} "[t^(c) e']" + "" | +"[t^ e]{t^*}:[e']" + "" ->{kt} "[t^ e]:[t^ e']" + "" | +"[i]:[t^ e']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[e' u^]" + "" | +"{t^*}[e' t^]:[e]" + "" <->{kt}{kt} "[t^ e']{t^*}:[e]" + "" | +"[t^ e']{t^*}:[e]" + "" ->{kt} "[t^ e']:[t^ e]" + "" | +"{t^(c)*}[e' u^]:[x' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[x' u^]:[i]" + "" | +"[t^(c) e']:[u^ x']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ x']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[x' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ x']{u^*}:[i]" + "" | +"[i]{t^*}:[x' u^]" + "" ->{kt} "[i t^]:[x' u^]" + "" | +"[t^ x]{t^*}:[x']" + "" ->{kt} "[t^ x]:[t^ x']" + "" | +"[i]:[t^ x']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[x' u^]" + "" | +"{t^*}[x' t^]:[x]" + "" <->{kt}{kt} "[t^ x']{t^*}:[x]" + "" | +"[t^ x']{t^*}:[x]" + "" ->{kt} "[t^ x']:[t^ x]" + "" | +"{t^(c)*}[x' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) x']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) x']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) x']:[u^ v']:[u^ i]" + "" | +"[t^(c) x']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) x']:[u^ v']{u^*}:[i]" + "" | +"[i]{t^*}:[v' u^]" + "" ->{kt} "[i t^]:[v' u^]" + "" | +"{t^(c)*}[v']" + "" ->{(kt * c)} "[t^(c) v']" + "" | +"[t^ v]{t^*}:[v']" + "" ->{kt} "[t^ v]:[t^ v']" + "" | +"[i]:[t^ v']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[v' u^]" + "" | +"{t^*}[v' t^]:[v]" + "" <->{kt}{kt} "[t^ v']{t^*}:[v]" + "" | +"[t^ v']{t^*}:[v]" + "" ->{kt} "[t^ v']:[t^ v]" + "" | +"{t^(c)*}[e' u^]:[v' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) e']{u^*}:[v' u^]:[i]" + "" | +"[t^(c) e']:[u^ v']{u^*}:[i]" + "" ->{ku} "[t^(c) e']:[u^ v']:[u^ i]" + "" | +"[t^(c) e']{u^*}:[v' u^]:[i]" + "" <->{ku}{ku} "[t^(c) e']:[u^ v']{u^*}:[i]" + "" | +"{t^(c)*}[r' u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) r']{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[r' u^]" + "" ->{kt} "[i t^]:[r' u^]" + "" | +"[i]:[t^ r']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[r' u^]" + "" | +"[t^(c) y]:[u^ e']{u^*}:[i]" + "" ->{ku} "[t^(c) y]:[u^ e']:[u^ i]" + "" | +"[t^(c) y]{u^*}:[e' u^]:[i]" + "" <->{ku}{ku} "[t^(c) y]:[u^ e']{u^*}:[i]" + "" | +"{t^(c)*}[y u^]:[e' u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y]{u^*}:[e' u^]:[i]" + "" | +"[i]{t^*}:[y u^]" + "" ->{kt} "[i t^]:[y u^]" + "" | +"[i]:[t^ y]{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y u^]" + "" | +"[t^(c) y']:[u^ e]{u^*}:[i]" + "" ->{ku} "[t^(c) y']:[u^ e]:[u^ i]" + "" | +"[t^(c) y']{u^*}:[e u^]:[i]" + "" <->{ku}{ku} "[t^(c) y']:[u^ e]{u^*}:[i]" + "" | +"{t^(c)*}[y' u^]:[e u^]:[i]" + "" <->{(kt * c)}{ku} "[t^(c) y']{u^*}:[e u^]:[i]" + "" | +"[i]{t^*}:[y' u^]" + "" ->{kt} "[i t^]:[y' u^]" + "" | +"[i]:[t^ y']{u^*}" + "" <->{ku}{kt} "[i]{t^*}:[y' u^]" + "" \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Fork.crn b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Fork.crn new file mode 100644 index 0000000..e16668c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Fork.crn @@ -0,0 +1,21 @@ +directive sample 0.0,30000.0 1000 +directive plot sum(sp_0); sum(sp_8); sum(sp_7) +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_0 1.0 | +init BF2_4 1.0 | +init BF2_3 100.0 | +init BF2_2 100.0 | +init BF2_1 100.0 | +init BF2 100.0 | +BF2 + BF2_4 <->{0.0003}{0.1126} sp_1 | +sp_3 + sp_0 <->{0.0003}{0.1126} sp_4 | +sp_6 + BF2_1 ->{0.0003} sp_9 + sp_8 + sp_7 + BF2_4 | +BF2_2 + sp_5 ->{0.0003} sp_11 + sp_10 | +sp_4 <->{0.1126}{0.0003} sp_6 + sp_5 | +BF2_3 + sp_2 ->{0.0003} sp_13 + sp_12 | +sp_1 <->{0.1126}{0.0003} sp_3 + sp_2 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Join.crn b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Join.crn new file mode 100644 index 0000000..bb3ae85 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Join.crn @@ -0,0 +1,33 @@ +directive sample 0.0,100000.0 1000 +directive plot sum(sp_0); sum(sp_1); sum(sp_12); sum(sp_11); BJ2x2_7 +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_1 1.0 | +init sp_0 1.0 | +init BJ2x2_7 1.0 | +init BJ2x2_6 100.0 | +init BJ2x2_5 100.0 | +init BJ2x2_4 100.0 | +init BJ2x2_3 100.0 | +init BJ2x2_2 100.0 | +init BJ2x2_1 100.0 | +init BJ2x2 100.0 | +BJ2x2 + BJ2x2_7 <->{0.0003}{0.1126} sp_2 | +sp_4 + sp_0 <->{0.0003}{0.1126} sp_5 | +sp_7 + sp_1 <->{0.0003}{0.1126} sp_8 | +sp_10 + BJ2x2_1 ->{0.0003} sp_13 + sp_12 + sp_11 + BJ2x2_7 | +sp_8 <->{0.1126}{0.0003} sp_10 + sp_9 | +BJ2x2_3 + sp_9 <->{0.0003}{0.1126} sp_14 | +sp_16 + BJ2x2_4 <->{0.0003}{0.1126} sp_17 | +BJ2x2_6 + sp_18 ->{0.0003} sp_21 + sp_20 | +sp_17 <->{0.1126}{0.0003} sp_19 + sp_18 | +BJ2x2_5 + sp_15 ->{0.0003} sp_23 + sp_22 | +sp_14 <->{0.1126}{0.0003} sp_16 + sp_15 | +sp_5 <->{0.1126}{0.0003} sp_7 + sp_6 | +sp_19 + sp_6 ->{0.0003} sp_25 + sp_24 | +BJ2x2_2 + sp_3 ->{0.0003} sp_27 + sp_26 | +sp_2 <->{0.1126}{0.0003} sp_4 + sp_3 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Transducer.crn b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Transducer.crn new file mode 100644 index 0000000..fe79729 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Buffered Transducer.crn @@ -0,0 +1,21 @@ +directive sample 0.0,30000.0 1000 +directive plot sum(sp_0); sum(sp_7) +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_0 1.0 | +init BTr_4 1.0 | +init BTr_3 100.0 | +init BTr_2 100.0 | +init BTr_1 100.0 | +init BTr 100.0 | +BTr + BTr_4 <->{0.0003}{0.1126} sp_1 | +sp_3 + sp_0 <->{0.0003}{0.1126} sp_4 | +sp_6 + BTr_1 ->{0.0003} sp_8 + sp_7 + BTr_4 | +BTr_2 + sp_5 ->{0.0003} sp_10 + sp_9 | +sp_4 <->{0.1126}{0.0003} sp_6 + sp_5 | +BTr_3 + sp_2 ->{0.0003} sp_12 + sp_11 | +sp_1 <->{0.1126}{0.0003} sp_3 + sp_2 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Oscillating.crn b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Oscillating.crn new file mode 100644 index 0000000..89f629e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Oscillating.crn @@ -0,0 +1,164 @@ +directive sample 0.0,500000.0 1000 +directive plot sum(sp_0;sp_13;sp_12); sum(sp_1;sp_100;sp_99); sum(sp_2;sp_45;sp_44); sum(BJ2x2_23;BJ2x2_15;BJ2x2_7) +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_2 2.0 | +init sp_1 2.0 | +init sp_0 3.0 | +init BJ2x2_23 1.0 | +init BJ2x2_22 100.0 | +init BJ2x2_21 100.0 | +init BJ2x2_20 100.0 | +init BJ2x2_19 100.0 | +init BJ2x2_18 100.0 | +init BJ2x2_17 100.0 | +init BJ2x2_16 100.0 | +init BJ2x2_15 1.0 | +init BJ2x2_14 100.0 | +init BJ2x2_13 100.0 | +init BJ2x2_12 100.0 | +init BJ2x2_11 100.0 | +init BJ2x2_10 100.0 | +init BJ2x2_9 100.0 | +init BJ2x2_8 100.0 | +init BJ2x2_7 1.0 | +init BJ2x2_6 100.0 | +init BJ2x2_5 100.0 | +init BJ2x2_4 100.0 | +init BJ2x2_3 100.0 | +init BJ2x2_2 100.0 | +init BJ2x2_1 100.0 | +init BJ2x2 100.0 | +BJ2x2_16 + BJ2x2_23 <->{0.0003}{0.1126} sp_3 | +sp_5 + sp_2 <->{0.0003}{0.1126} sp_6 | +sp_8 + sp_0 <->{0.0003}{0.1126} sp_9 | +sp_11 + BJ2x2_17 ->{0.0003} sp_14 + sp_13 + sp_12 + BJ2x2_23 | +sp_8 + sp_13 <->{0.0003}{0.1126} sp_15 | +sp_16 + BJ2x2_17 ->{0.0003} sp_17 + sp_13 + sp_12 + BJ2x2_23 | +sp_8 + sp_12 <->{0.0003}{0.1126} sp_18 | +sp_19 + BJ2x2_17 ->{0.0003} sp_20 + sp_13 + sp_12 + BJ2x2_23 | +sp_9 <->{0.1126}{0.0003} sp_11 + sp_10 | +sp_15 <->{0.1126}{0.0003} sp_16 + sp_10 | +sp_18 <->{0.1126}{0.0003} sp_19 + sp_10 | +BJ2x2_19 + sp_10 <->{0.0003}{0.1126} sp_21 | +sp_23 + BJ2x2_20 <->{0.0003}{0.1126} sp_24 | +BJ2x2_22 + sp_25 ->{0.0003} sp_28 + sp_27 | +sp_24 <->{0.1126}{0.0003} sp_26 + sp_25 | +BJ2x2_21 + sp_22 ->{0.0003} sp_30 + sp_29 | +sp_21 <->{0.1126}{0.0003} sp_23 + sp_22 | +sp_6 <->{0.1126}{0.0003} sp_8 + sp_7 | +sp_26 + sp_7 ->{0.0003} sp_32 + sp_31 | +BJ2x2_18 + sp_4 ->{0.0003} sp_34 + sp_33 | +sp_3 <->{0.1126}{0.0003} sp_5 + sp_4 | +BJ2x2_8 + BJ2x2_15 <->{0.0003}{0.1126} sp_35 | +sp_37 + sp_1 <->{0.0003}{0.1126} sp_38 | +sp_40 + sp_2 <->{0.0003}{0.1126} sp_41 | +sp_43 + BJ2x2_9 ->{0.0003} sp_46 + sp_45 + sp_44 + BJ2x2_15 | +sp_5 + sp_45 <->{0.0003}{0.1126} sp_48 | +sp_48 <->{0.1126}{0.0003} sp_49 + sp_7 | +sp_49 + sp_0 <->{0.0003}{0.1126} sp_52 | +sp_53 + BJ2x2_17 ->{0.0003} sp_54 + sp_13 + sp_12 + BJ2x2_23 | +sp_52 <->{0.1126}{0.0003} sp_53 + sp_10 | +sp_49 + sp_13 <->{0.0003}{0.1126} sp_51 | +sp_55 + BJ2x2_17 ->{0.0003} sp_56 + sp_13 + sp_12 + BJ2x2_23 | +sp_51 <->{0.1126}{0.0003} sp_55 + sp_10 | +sp_49 + sp_12 <->{0.0003}{0.1126} sp_50 | +sp_57 + BJ2x2_17 ->{0.0003} sp_58 + sp_13 + sp_12 + BJ2x2_23 | +sp_50 <->{0.1126}{0.0003} sp_57 + sp_10 | +sp_40 + sp_45 <->{0.0003}{0.1126} sp_47 | +sp_59 + BJ2x2_9 ->{0.0003} sp_60 + sp_45 + sp_44 + BJ2x2_15 | +sp_5 + sp_44 <->{0.0003}{0.1126} sp_62 | +sp_62 <->{0.1126}{0.0003} sp_63 + sp_7 | +sp_63 + sp_0 <->{0.0003}{0.1126} sp_66 | +sp_67 + BJ2x2_17 ->{0.0003} sp_68 + sp_13 + sp_12 + BJ2x2_23 | +sp_66 <->{0.1126}{0.0003} sp_67 + sp_10 | +sp_63 + sp_13 <->{0.0003}{0.1126} sp_65 | +sp_69 + BJ2x2_17 ->{0.0003} sp_70 + sp_13 + sp_12 + BJ2x2_23 | +sp_65 <->{0.1126}{0.0003} sp_69 + sp_10 | +sp_63 + sp_12 <->{0.0003}{0.1126} sp_64 | +sp_71 + BJ2x2_17 ->{0.0003} sp_72 + sp_13 + sp_12 + BJ2x2_23 | +sp_64 <->{0.1126}{0.0003} sp_71 + sp_10 | +sp_40 + sp_44 <->{0.0003}{0.1126} sp_61 | +sp_73 + BJ2x2_9 ->{0.0003} sp_74 + sp_45 + sp_44 + BJ2x2_15 | +sp_41 <->{0.1126}{0.0003} sp_43 + sp_42 | +sp_47 <->{0.1126}{0.0003} sp_59 + sp_42 | +sp_61 <->{0.1126}{0.0003} sp_73 + sp_42 | +BJ2x2_11 + sp_42 <->{0.0003}{0.1126} sp_75 | +sp_77 + BJ2x2_12 <->{0.0003}{0.1126} sp_78 | +BJ2x2_14 + sp_79 ->{0.0003} sp_82 + sp_81 | +sp_78 <->{0.1126}{0.0003} sp_80 + sp_79 | +BJ2x2_13 + sp_76 ->{0.0003} sp_83 + sp_31 | +sp_75 <->{0.1126}{0.0003} sp_77 + sp_76 | +sp_38 <->{0.1126}{0.0003} sp_40 + sp_39 | +sp_80 + sp_39 ->{0.0003} sp_85 + sp_84 | +BJ2x2_10 + sp_36 ->{0.0003} sp_87 + sp_86 | +sp_35 <->{0.1126}{0.0003} sp_37 + sp_36 | +BJ2x2 + BJ2x2_7 <->{0.0003}{0.1126} sp_88 | +sp_90 + sp_0 <->{0.0003}{0.1126} sp_93 | +sp_95 + sp_1 <->{0.0003}{0.1126} sp_96 | +sp_98 + BJ2x2_1 ->{0.0003} sp_101 + sp_100 + sp_99 + BJ2x2_7 | +sp_37 + sp_100 <->{0.0003}{0.1126} sp_103 | +sp_103 <->{0.1126}{0.0003} sp_104 + sp_39 | +sp_104 + sp_2 <->{0.0003}{0.1126} sp_107 | +sp_108 + BJ2x2_9 ->{0.0003} sp_109 + sp_45 + sp_44 + BJ2x2_15 | +sp_107 <->{0.1126}{0.0003} sp_108 + sp_42 | +sp_104 + sp_45 <->{0.0003}{0.1126} sp_106 | +sp_110 + BJ2x2_9 ->{0.0003} sp_111 + sp_45 + sp_44 + BJ2x2_15 | +sp_106 <->{0.1126}{0.0003} sp_110 + sp_42 | +sp_104 + sp_44 <->{0.0003}{0.1126} sp_105 | +sp_112 + BJ2x2_9 ->{0.0003} sp_113 + sp_45 + sp_44 + BJ2x2_15 | +sp_105 <->{0.1126}{0.0003} sp_112 + sp_42 | +sp_95 + sp_100 <->{0.0003}{0.1126} sp_102 | +sp_114 + BJ2x2_1 ->{0.0003} sp_115 + sp_100 + sp_99 + BJ2x2_7 | +sp_37 + sp_99 <->{0.0003}{0.1126} sp_117 | +sp_117 <->{0.1126}{0.0003} sp_118 + sp_39 | +sp_118 + sp_2 <->{0.0003}{0.1126} sp_121 | +sp_122 + BJ2x2_9 ->{0.0003} sp_123 + sp_45 + sp_44 + BJ2x2_15 | +sp_121 <->{0.1126}{0.0003} sp_122 + sp_42 | +sp_118 + sp_45 <->{0.0003}{0.1126} sp_120 | +sp_124 + BJ2x2_9 ->{0.0003} sp_125 + sp_45 + sp_44 + BJ2x2_15 | +sp_120 <->{0.1126}{0.0003} sp_124 + sp_42 | +sp_118 + sp_44 <->{0.0003}{0.1126} sp_119 | +sp_126 + BJ2x2_9 ->{0.0003} sp_127 + sp_45 + sp_44 + BJ2x2_15 | +sp_119 <->{0.1126}{0.0003} sp_126 + sp_42 | +sp_95 + sp_99 <->{0.0003}{0.1126} sp_116 | +sp_128 + BJ2x2_1 ->{0.0003} sp_129 + sp_100 + sp_99 + BJ2x2_7 | +sp_96 <->{0.1126}{0.0003} sp_98 + sp_97 | +sp_102 <->{0.1126}{0.0003} sp_114 + sp_97 | +sp_116 <->{0.1126}{0.0003} sp_128 + sp_97 | +BJ2x2_3 + sp_97 <->{0.0003}{0.1126} sp_130 | +sp_132 + BJ2x2_4 <->{0.0003}{0.1126} sp_133 | +BJ2x2_6 + sp_134 ->{0.0003} sp_137 + sp_136 | +sp_133 <->{0.1126}{0.0003} sp_135 + sp_134 | +BJ2x2_5 + sp_131 ->{0.0003} sp_138 + sp_84 | +sp_130 <->{0.1126}{0.0003} sp_132 + sp_131 | +sp_93 <->{0.1126}{0.0003} sp_95 + sp_94 | +sp_135 + sp_94 ->{0.0003} sp_139 + sp_29 | +sp_90 + sp_13 <->{0.0003}{0.1126} sp_92 | +sp_92 <->{0.1126}{0.0003} sp_140 + sp_94 | +sp_140 + sp_1 <->{0.0003}{0.1126} sp_143 | +sp_144 + BJ2x2_1 ->{0.0003} sp_145 + sp_100 + sp_99 + BJ2x2_7 | +sp_143 <->{0.1126}{0.0003} sp_144 + sp_97 | +sp_140 + sp_100 <->{0.0003}{0.1126} sp_142 | +sp_146 + BJ2x2_1 ->{0.0003} sp_147 + sp_100 + sp_99 + BJ2x2_7 | +sp_142 <->{0.1126}{0.0003} sp_146 + sp_97 | +sp_140 + sp_99 <->{0.0003}{0.1126} sp_141 | +sp_148 + BJ2x2_1 ->{0.0003} sp_149 + sp_100 + sp_99 + BJ2x2_7 | +sp_141 <->{0.1126}{0.0003} sp_148 + sp_97 | +sp_90 + sp_12 <->{0.0003}{0.1126} sp_91 | +sp_91 <->{0.1126}{0.0003} sp_150 + sp_94 | +sp_150 + sp_1 <->{0.0003}{0.1126} sp_153 | +sp_154 + BJ2x2_1 ->{0.0003} sp_155 + sp_100 + sp_99 + BJ2x2_7 | +sp_153 <->{0.1126}{0.0003} sp_154 + sp_97 | +sp_150 + sp_100 <->{0.0003}{0.1126} sp_152 | +sp_156 + BJ2x2_1 ->{0.0003} sp_157 + sp_100 + sp_99 + BJ2x2_7 | +sp_152 <->{0.1126}{0.0003} sp_156 + sp_97 | +sp_150 + sp_99 <->{0.0003}{0.1126} sp_151 | +sp_158 + BJ2x2_1 ->{0.0003} sp_159 + sp_100 + sp_99 + BJ2x2_7 | +sp_151 <->{0.1126}{0.0003} sp_158 + sp_97 | +BJ2x2_2 + sp_89 ->{0.0003} sp_161 + sp_160 | +sp_88 <->{0.1126}{0.0003} sp_90 + sp_89 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Transducer Composition.crn b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Transducer Composition.crn new file mode 100644 index 0000000..7d7464e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Transducer Composition.crn @@ -0,0 +1,23 @@ +directive sample 0.0,5000.0 1000 +directive plot sp_0; sp_4; sp_9 +directive scale 1000.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_0 1.0 | +init Tr_5 10.0 | +init Tr_4 10.0 | +init Tr_3 10.0 | +init Tr_2 10.0 | +init Tr_1 10.0 | +init Tr 10.0 | +Tr + sp_0 <->{0.0003}{0.1126} sp_1 | +sp_3 + Tr_1 ->{0.0003} sp_5 + sp_4 | +Tr_3 + sp_4 <->{0.0003}{0.1126} sp_6 | +sp_8 + Tr_4 ->{0.0003} sp_10 + sp_9 | +Tr_5 + sp_7 ->{0.0003} sp_12 + sp_11 | +sp_6 <->{0.1126}{0.0003} sp_8 + sp_7 | +Tr_2 + sp_2 ->{0.0003} sp_14 + sp_13 | +sp_1 <->{0.1126}{0.0003} sp_3 + sp_2 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Transducer.crn b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Transducer.crn new file mode 100644 index 0000000..9a945b1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Transducer.crn @@ -0,0 +1,16 @@ +directive sample 0.0,5000.0 1000 +directive plot sp_0; sp_4 +directive scale 1000.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_0 1.0 | +init Tr_2 10.0 | +init Tr_1 10.0 | +init Tr 10.0 | +Tr + sp_0 <->{0.0003}{0.1126} sp_1 | +sp_3 + Tr_1 ->{0.0003} sp_5 + sp_4 | +Tr_2 + sp_2 ->{0.0003} sp_7 + sp_6 | +sp_1 <->{0.1126}{0.0003} sp_3 + sp_2 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Ultrasensitive.crn b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Ultrasensitive.crn new file mode 100644 index 0000000..49f774e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/3-domain, DNA 2016 - Ultrasensitive.crn @@ -0,0 +1,104 @@ +directive sample 0.0,500000.0 1000 +directive plot sum(sp_40); sum(sp_48); sum(sp_62) +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_2 10.0 | +init sp_1 1000.0 | +init sp_0 1000.0 | +init BF2_4 10.0 | +init BF2_3 10000.0 | +init BF2_2 10000.0 | +init BF2_1 10000.0 | +init BF2 10000.0 | +init BJ2x2_15 10.0 | +init BJ2x2_14 10000.0 | +init BJ2x2_13 10000.0 | +init BJ2x2_12 10000.0 | +init BJ2x2_11 10000.0 | +init BJ2x2_10 10000.0 | +init BJ2x2_9 10000.0 | +init BJ2x2_8 10000.0 | +init BJ2x2_7 10.0 | +init BJ2x2_6 10000.0 | +init BJ2x2_5 10000.0 | +init BJ2x2_4 10000.0 | +init BJ2x2_3 10000.0 | +init BJ2x2_2 10000.0 | +init BJ2x2_1 10000.0 | +init BJ2x2 10000.0 | +init BTr_9 1.0 | +init BTr_8 10000.0 | +init BTr_7 10000.0 | +init BTr_6 10000.0 | +init BTr_5 10000.0 | +init BTr_4 10.0 | +init BTr_3 10000.0 | +init BTr_2 10000.0 | +init BTr_1 10000.0 | +init BTr 10000.0 | +BF2 + BF2_4 <->{3E-05}{0.1126} sp_3 | +sp_5 + sp_2 <->{3E-05}{0.1126} sp_6 | +sp_8 + BF2_1 ->{3E-05} sp_11 + sp_10 + sp_9 + BF2_4 | +sp_5 + sp_9 <->{3E-05}{0.1126} sp_12 | +sp_13 + BF2_1 ->{3E-05} sp_14 + sp_10 + sp_9 + BF2_4 | +BF2_2 + sp_7 ->{3E-05} sp_16 + sp_15 | +sp_6 <->{0.1126}{3E-05} sp_8 + sp_7 | +sp_12 <->{0.1126}{3E-05} sp_13 + sp_7 | +BF2_3 + sp_4 ->{3E-05} sp_18 + sp_17 | +sp_3 <->{0.1126}{3E-05} sp_5 + sp_4 | +BJ2x2_8 + BJ2x2_15 <->{3E-05}{0.1126} sp_19 | +BJ2x2_10 + sp_20 ->{3E-05} sp_23 + sp_22 | +sp_19 <->{0.1126}{3E-05} sp_21 + sp_20 | +BJ2x2 + BJ2x2_7 <->{3E-05}{0.1126} sp_24 | +BJ2x2_2 + sp_25 ->{3E-05} sp_28 + sp_27 | +sp_24 <->{0.1126}{3E-05} sp_26 + sp_25 | +BTr_5 + BTr_9 <->{3E-05}{0.1126} sp_29 | +BTr_8 + sp_30 ->{3E-05} sp_33 + sp_32 | +sp_29 <->{0.1126}{3E-05} sp_31 + sp_30 | +BTr + BTr_4 <->{3E-05}{0.1126} sp_34 | +sp_36 + sp_10 <->{3E-05}{0.1126} sp_37 | +sp_39 + BTr_1 ->{3E-05} sp_41 + sp_40 + BTr_4 | +sp_26 + sp_40 <->{3E-05}{0.1126} sp_42 | +sp_44 + sp_0 <->{3E-05}{0.1126} sp_45 | +sp_47 + BJ2x2_1 ->{3E-05} sp_50 + sp_49 + sp_48 + BJ2x2_7 | +sp_36 + sp_49 <->{3E-05}{0.1126} sp_51 | +sp_52 + BTr_1 ->{3E-05} sp_53 + sp_40 + BTr_4 | +BTr_2 + sp_38 ->{3E-05} sp_55 + sp_54 | +sp_37 <->{0.1126}{3E-05} sp_39 + sp_38 | +sp_51 <->{0.1126}{3E-05} sp_52 + sp_38 | +sp_21 + sp_48 <->{3E-05}{0.1126} sp_56 | +sp_58 + sp_1 <->{3E-05}{0.1126} sp_59 | +sp_61 + BJ2x2_9 ->{3E-05} sp_64 + sp_63 + sp_62 + BJ2x2_15 | +sp_44 + sp_63 <->{3E-05}{0.1126} sp_65 | +sp_66 + BJ2x2_1 ->{3E-05} sp_67 + sp_49 + sp_48 + BJ2x2_7 | +sp_45 <->{0.1126}{3E-05} sp_47 + sp_46 | +sp_65 <->{0.1126}{3E-05} sp_66 + sp_46 | +BJ2x2_3 + sp_46 <->{3E-05}{0.1126} sp_68 | +sp_70 + BJ2x2_4 <->{3E-05}{0.1126} sp_71 | +BJ2x2_6 + sp_72 ->{3E-05} sp_75 + sp_74 | +sp_71 <->{0.1126}{3E-05} sp_73 + sp_72 | +BJ2x2_5 + sp_69 ->{3E-05} sp_77 + sp_76 | +sp_68 <->{0.1126}{3E-05} sp_70 + sp_69 | +sp_31 + sp_62 <->{3E-05}{0.1126} sp_78 | +sp_80 + BTr_6 ->{3E-05} sp_82 + sp_81 + BTr_9 | +sp_58 + sp_81 <->{3E-05}{0.1126} sp_83 | +sp_84 + BJ2x2_9 ->{3E-05} sp_85 + sp_63 + sp_62 + BJ2x2_15 | +sp_59 <->{0.1126}{3E-05} sp_61 + sp_60 | +sp_83 <->{0.1126}{3E-05} sp_84 + sp_60 | +BJ2x2_11 + sp_60 <->{3E-05}{0.1126} sp_86 | +sp_88 + BJ2x2_12 <->{3E-05}{0.1126} sp_89 | +BJ2x2_14 + sp_90 ->{3E-05} sp_93 + sp_92 | +sp_89 <->{0.1126}{3E-05} sp_91 + sp_90 | +BJ2x2_13 + sp_87 ->{3E-05} sp_95 + sp_94 | +sp_86 <->{0.1126}{3E-05} sp_88 + sp_87 | +BTr_7 + sp_79 ->{3E-05} sp_97 + sp_96 | +sp_78 <->{0.1126}{3E-05} sp_80 + sp_79 | +sp_56 <->{0.1126}{3E-05} sp_58 + sp_57 | +sp_91 + sp_57 ->{3E-05} sp_99 + sp_98 | +sp_42 <->{0.1126}{3E-05} sp_44 + sp_43 | +sp_73 + sp_43 ->{3E-05} sp_101 + sp_100 | +BTr_3 + sp_35 ->{3E-05} sp_103 + sp_102 | +sp_34 <->{0.1126}{3E-05} sp_36 + sp_35 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Co-operative - Lotka.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Co-operative - Lotka.crn new file mode 100644 index 0000000..200ae54 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Co-operative - Lotka.crn @@ -0,0 +1,23 @@ +directive sample 0.0,20000.0 1000 +directive plot SpeciesL; SpeciesR +directive reltolerance 1E-07 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +constant BinaryLRxRR_1 3000000.0 | +constant BinaryLRxRR 30000.0 | +init SpeciesL 1000.0 | +init SpeciesR 1000.0 | +constant UnaryLxLL_1 100000.0 | +constant UnaryLxLL 1000.0 | +constant UnaryRx 1000.0 | +BinaryLRxRR + SpeciesL <->{1E-05}{0.1} sp_0 | +sp_0 + SpeciesR ->{1E-05} sp_2 + sp_1 | +BinaryLRxRR + SpeciesR <->{1E-05}{0.1} sp_3 | +sp_3 + SpeciesL ->{1E-05} sp_2 + sp_1 | +BinaryLRxRR_1 + sp_1 ->{1E-05} sp_5 + sp_4 + 2SpeciesR | +UnaryLxLL + SpeciesL ->{1E-05} sp_7 + sp_6 | +UnaryLxLL_1 + sp_6 ->{1E-05} sp_9 + sp_8 + 2SpeciesL | +UnaryRx + SpeciesR ->{1E-05} sp_11 + sp_10 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Co-operative - Mapk.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Co-operative - Mapk.crn new file mode 100644 index 0000000..e4ad690 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Co-operative - Mapk.crn @@ -0,0 +1,95 @@ +directive sample 0.0,20000.0 1000 +directive plot sp_11; sp_41; sp_65; SpeciesR; SpeciesL_1; SpeciesR_1; sp_24; sp_51 +directive scale 10.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +constant BinaryLRxLR_19 100.0 | +constant BinaryLRxLR_18 1.0 | +constant BinaryLRxLR_17 100.0 | +constant BinaryLRxLR_16 1.0 | +constant BinaryLRxLR_15 5000.0 | +constant BinaryLRxLR_14 50.0 | +constant BinaryLRxLR_13 5000.0 | +constant BinaryLRxLR_12 50.0 | +constant BinaryLRxLR_11 100.0 | +constant BinaryLRxLR_10 1.0 | +constant BinaryLRxLR_9 100.0 | +constant BinaryLRxLR_8 1.0 | +constant BinaryLRxLR_7 5000.0 | +constant BinaryLRxLR_6 50.0 | +constant BinaryLRxLR_5 5000.0 | +constant BinaryLRxLR_4 50.0 | +constant BinaryLRxLR_3 100.0 | +constant BinaryLRxLR_2 1.0 | +constant BinaryLRxLR_1 5000.0 | +constant BinaryLRxLR 50.0 | +init SpeciesL_3 1.0 | +init SpeciesL_2 1.0 | +init SpeciesL_1 100.0 | +init SpeciesL 1.0 | +init SpeciesR_2 1.0 | +init SpeciesR_1 100.0 | +init SpeciesR 10.0 | +BinaryLRxLR_18 + SpeciesL_3 <->{0.0003}{0.1126} sp_1 | +BinaryLRxLR_16 + SpeciesL_3 <->{0.0003}{0.1126} sp_0 | +BinaryLRxLR_2 + SpeciesL_2 <->{0.0003}{0.1126} sp_2 | +BinaryLRxLR_4 + SpeciesL_1 <->{0.0003}{0.1126} sp_3 | +BinaryLRxLR + SpeciesL <->{0.0003}{0.1126} sp_4 | +BinaryLRxLR_10 + SpeciesR_2 <->{0.0003}{0.1126} sp_6 | +BinaryLRxLR_8 + SpeciesR_2 <->{0.0003}{0.1126} sp_5 | +BinaryLRxLR_12 + SpeciesR_1 <->{0.0003}{0.1126} sp_7 | +sp_4 + SpeciesR ->{0.0003} sp_9 + sp_8 | +BinaryLRxLR + SpeciesR <->{0.0003}{0.1126} sp_10 | +sp_10 + SpeciesL ->{0.0003} sp_9 + sp_8 | +BinaryLRxLR_1 + sp_8 ->{0.0003} sp_14 + sp_13 + SpeciesL + sp_12 + sp_11 | +sp_2 + sp_11 ->{0.0003} sp_18 + sp_17 | +sp_3 + sp_11 ->{0.0003} sp_16 + sp_15 | +BinaryLRxLR_6 + sp_11 <->{0.0003}{0.1126} sp_21 | +BinaryLRxLR_4 + sp_11 <->{0.0003}{0.1126} sp_20 | +sp_20 + SpeciesL_1 ->{0.0003} sp_16 + sp_15 | +BinaryLRxLR_5 + sp_15 ->{0.0003} sp_26 + sp_25 + sp_24 + sp_23 + sp_11 | +BinaryLRxLR_7 + sp_15 <->{0.0003}{0.1126} sp_27 | +sp_6 + sp_24 ->{0.0003} sp_31 + sp_30 | +sp_21 + sp_24 ->{0.0003} sp_29 + sp_28 | +BinaryLRxLR_10 + sp_24 <->{0.0003}{0.1126} sp_33 | +sp_33 + SpeciesR_2 ->{0.0003} sp_31 + sp_30 | +BinaryLRxLR_11 + sp_30 ->{0.0003} sp_37 + sp_36 + SpeciesL_1 + sp_35 + SpeciesR_2 | +BinaryLRxLR_9 + sp_30 <->{0.0003}{0.1126} sp_34 | +BinaryLRxLR_6 + sp_24 <->{0.0003}{0.1126} sp_32 | +sp_32 + sp_11 ->{0.0003} sp_29 + sp_28 | +BinaryLRxLR_7 + sp_28 ->{0.0003} sp_43 + sp_42 + sp_41 + sp_40 + sp_11 | +sp_5 + sp_41 ->{0.0003} sp_47 + sp_46 | +sp_7 + sp_41 ->{0.0003} sp_45 + sp_44 | +BinaryLRxLR_14 + sp_41 <->{0.0003}{0.1126} sp_50 | +BinaryLRxLR_12 + sp_41 <->{0.0003}{0.1126} sp_49 | +sp_49 + SpeciesR_1 ->{0.0003} sp_45 + sp_44 | +BinaryLRxLR_13 + sp_44 ->{0.0003} sp_54 + sp_53 + sp_41 + sp_52 + sp_51 | +sp_1 + sp_51 ->{0.0003} sp_58 + sp_57 | +sp_50 + sp_51 ->{0.0003} sp_56 + sp_55 | +BinaryLRxLR_18 + sp_51 <->{0.0003}{0.1126} sp_60 | +sp_60 + SpeciesL_3 ->{0.0003} sp_58 + sp_57 | +BinaryLRxLR_19 + sp_57 ->{0.0003} sp_64 + sp_63 + SpeciesL_3 + sp_62 + SpeciesR_1 | +BinaryLRxLR_15 + sp_57 <->{0.0003}{0.1126} sp_61 | +BinaryLRxLR_14 + sp_51 <->{0.0003}{0.1126} sp_59 | +sp_59 + sp_41 ->{0.0003} sp_56 + sp_55 | +BinaryLRxLR_15 + sp_55 ->{0.0003} sp_68 + sp_67 + sp_41 + sp_66 + sp_65 | +BinaryLRxLR_19 + sp_55 <->{0.0003}{0.1126} sp_69 | +sp_0 + sp_65 ->{0.0003} sp_71 + sp_70 | +BinaryLRxLR_16 + sp_65 <->{0.0003}{0.1126} sp_72 | +sp_72 + SpeciesL_3 ->{0.0003} sp_71 + sp_70 | +BinaryLRxLR_17 + sp_70 ->{0.0003} sp_75 + sp_74 + SpeciesL_3 + sp_73 + sp_51 | +BinaryLRxLR_8 + sp_41 <->{0.0003}{0.1126} sp_48 | +sp_48 + SpeciesR_2 ->{0.0003} sp_47 + sp_46 | +BinaryLRxLR_9 + sp_46 ->{0.0003} sp_78 + sp_77 + sp_24 + sp_76 + SpeciesR_2 | +BinaryLRxLR_11 + sp_46 <->{0.0003}{0.1126} sp_79 | +BinaryLRxLR_5 + sp_28 <->{0.0003}{0.1126} sp_39 | +BinaryLRxLR_3 + sp_28 <->{0.0003}{0.1126} sp_38 | +BinaryLRxLR_3 + sp_15 <->{0.0003}{0.1126} sp_22 | +BinaryLRxLR_2 + sp_11 <->{0.0003}{0.1126} sp_19 | +sp_19 + SpeciesL_2 ->{0.0003} sp_18 + sp_17 | +BinaryLRxLR_3 + sp_17 ->{0.0003} sp_82 + sp_81 + SpeciesL_2 + sp_80 + SpeciesR | +BinaryLRxLR_7 + sp_17 <->{0.0003}{0.1126} sp_84 | +BinaryLRxLR_5 + sp_17 <->{0.0003}{0.1126} sp_83 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Autocatalytic Spatial.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Autocatalytic Spatial.crn new file mode 100644 index 0000000..80b9ebb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Autocatalytic Spatial.crn @@ -0,0 +1,55 @@ +directive sample 0.0,(48.0 * 3600.0) 1000 +directive plot Catalyst; Input +directive simulation spatial1d +directive dt 20.0 +directive xmax 0.1 +directive spatialplot Catalyst +directive spatialic centralcore { species = Catalyst; inner = 1.0; width = 0.1 } +directive spatialbc zeroflux +directive defaultdiffusion 1E-10 +directive parameters + [ kJ1 = 9.3389E-06 + ; kJ1r = 5.8863E-05 + ; kJ2 = 8.1539E-05 + ; kJ2r = 6.9742E-05 + ; kJ3 = 0.00040619 + ; kJ3r = 3.3053E-06 + ; kF1 = 1.2135E-05 + ; kF1r = 0.00012982 + ; kF2 = 4.5807E-05 + ; kF2r = 0.0004789 + ; kF3 = 0.00012031 + ; kF3r = 1.1956E-06 + ; kF4 = 3.597E-06 + ; kF4r = 0.0004789 + ; kF5 = 7.1967E-06 + ; kFRpx = 0.00066487 + ; leakBX2X_J = 0.0 + ; leakBX2X_F = 0.0 + ; NG = 200.0 + ; NH = 200.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init End NH | +init Fork (NG * (1.0 - leakBX2X_F)) | +init Helper NH | +init Input 5.0 | +init Join (NG * (1.0 - leakBX2X_J)) | +init Translator (NG * leakBX2X_J) | +init Output (NG * leakBX2X_F) | +init Output1R NH | +init Output2R NH | +init Output3R NH | +init RepX NG | +sp_0 + sp_1 <->{kJ1r}{kJ1} Input + Join | +sp_2 + sp_3 <->{kJ2r}{kJ2} Catalyst + sp_1 | +Translator + sp_4 <->{kJ3r}{kJ3} Helper + sp_3 | +sp_5 + sp_6 <->{kF1r}{kF1} Translator + Fork | +Catalyst + sp_7 <->{kF2r}{kF2} Output1R + sp_6 | +Output + sp_8 <->{kF3r}{kF3} Output2R + sp_7 | +Catalyst + sp_9 <->{kF2r}{kF4} Output3R + sp_8 | +End + sp_9 ->{kF5} sp_11 + sp_10 | +Output + RepX ->{kFRpx} sp25 + sp_12 | +RepX + Output <->{0.0}{0.0} sp_13 + sp_12 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Consensus Spatial.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Consensus Spatial.crn new file mode 100644 index 0000000..49587e5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Consensus Spatial.crn @@ -0,0 +1,102 @@ +directive sample 0.0,(96.0 * 3600.0) 1000 +directive plot Input; Catalyst; Input_1 +directive simulation spatial1d +directive dt 20.0 +directive xmax 0.1 +directive spatialplot Input +directive spatialic random 0.2 +directive spatialbc zeroflux +directive defaultdiffusion 1E-10 +directive parameters + [ kJ1 = 9.3389E-06 + ; kJ1r = 5.8863E-05 + ; kJ2 = 8.1539E-05 + ; kJ2r = 6.9742E-05 + ; kJ3 = 0.00040619 + ; kJ3r = 3.3053E-06 + ; kF1 = 1.2135E-05 + ; kF1_YY = 4.2054E-06 + ; kF1r = 0.00012982 + ; kF2 = 4.5807E-05 + ; kF2r = 0.0004789 + ; kF3 = 0.00012031 + ; kF3r = 1.1956E-06 + ; kF4 = 3.597E-06 + ; kF4r = 0.0004789 + ; kF5 = 7.1967E-06 + ; kFRpb = 0.00031439 + ; kFRpx = 0.00066487 + ; kFRpy = 0.00015619 + ; leakXY2B_J = 0.0142 + ; leakXY2B_F = 0.0098 + ; leakBX2X_J = 0.0107 + ; leakBX2X_F = 5.7837E-07 + ; leakBY2Y_J = 0.0088 + ; leakBY2Y_F = 0.0175 + ; X = 80.0 + ; NG = 160.0 + ; NH = 160.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Catalyst 3.78 | +init End (4.0 * NH) | +init Fork_2 (NG * (1.0 - leakBY2Y_F)) | +init Fork_1 (NG * (1.0 - leakBX2X_F)) | +init Fork (NG * (1.0 - leakXY2B_F)) | +init Helper_2 NH | +init Helper_1 NH | +init Helper NH | +init Input 6.22 | +init Join_2 (NG * (1.0 - leakBY2Y_J)) | +init Translator_2 (NG * leakBY2Y_J) | +init Join_1 (NG * (1.0 - leakBX2X_J)) | +init Translator_1 (NG * leakBX2X_J) | +init Join (NG * (1.0 - leakXY2B_J)) | +init Translator (NG * leakXY2B_J) | +init Output_2 (NG * leakBY2Y_F) | +init Output_1 (NG * leakBX2X_F) | +init Output (NG * leakXY2B_F) | +init Output1R_2 NH | +init Output1R_1 NH | +init Output1R NH | +init Output2R_2 NH | +init Output2R_1 NH | +init Output2R NH | +init Output3R_2 NH | +init Output3R_1 NH | +init Output3R NH | +init RepB NG | +init RepX NG | +init RepY NG | +sp_8 + sp_13 <->{kJ1r}{kJ1} Input + Join | +sp_2 + sp_14 <->{kJ2r}{kJ2} Catalyst + sp_13 | +Translator + sp_15 <->{kJ3r}{kJ3} Helper + sp_14 | +sp_16 + sp_17 <->{kF1r}{kF1} Translator + Fork | +Input_1 + sp_20 <->{kF2r}{kF2} Output1R + sp_17 | +Output + sp_23 <->{kF3r}{kF3} Output2R + sp_20 | +Input_1 + sp_29 <->{kF2r}{kF4} Output3R + sp_23 | +End + sp_29 ->{kF5} sp_30 + sp_25 | +Output + RepB ->{kFRpb} sp44 + sp_31 | +sp_0 + sp_7 <->{kJ1r}{kJ1} Input_1 + Join_1 | +sp_8 + sp_9 <->{kJ2r}{kJ2} Input + sp_7 | +Translator_1 + sp_10 <->{kJ3r}{kJ3} Helper_1 + sp_9 | +sp_11 + sp_12 <->{kF1r}{kF1} Translator_1 + Fork_1 | +Input + sp_19 <->{kF2r}{kF2} Output1R_1 + sp_12 | +Output_1 + sp_22 <->{kF3r}{kF3} Output2R_1 + sp_19 | +Input + sp_27 <->{kF2r}{kF4} Output3R_1 + sp_22 | +End + sp_27 ->{kF5} sp_28 + sp_25 | +Output_1 + RepX ->{kFRpx} sp56 + sp_33 | +sp_0 + sp_1 <->{kJ1r}{kJ1} Input_1 + Join_2 | +sp_2 + sp_3 <->{kJ2r}{kJ2} Catalyst + sp_1 | +Translator_2 + sp_4 <->{kJ3r}{kJ3} Helper_2 + sp_3 | +sp_5 + sp_6 <->{kF1r}{kF1} Translator_2 + Fork_2 | +Catalyst + sp_18 <->{kF2r}{kF2} Output1R_2 + sp_6 | +Output_2 + sp_21 <->{kF3r}{kF3} Output2R_2 + sp_18 | +Catalyst + sp_24 <->{kF2r}{kF4} Output3R_2 + sp_21 | +End + sp_24 ->{kF5} sp_26 + sp_25 | +Output_2 + RepY ->{kFRpy} sp67 + sp_35 | +RepB + Output <->{0.0}{0.0} sp_32 + sp_31 | +RepX + Output_1 <->{0.0}{0.0} sp_34 + sp_33 | +RepY + Output_2 <->{0.0}{0.0} sp_36 + sp_35 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Lotka Spatial.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Lotka Spatial.crn new file mode 100644 index 0000000..4e18c4d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Dalchau et al., DNA 2014 - Lotka Spatial.crn @@ -0,0 +1,45 @@ +directive sample 0.0,(96.0 * 3600.0) 3000 +directive plot Strand; Strand_1 +directive reltolerance 1E-06 +directive simulation spatial1d +directive dt 25.0 +directive xmax 0.1 +directive spatialplot Strand +directive spatialic centralcore { species = Strand_1; inner = 1.0; width = 0.1 } +directive spatialic centralcore { species = Strand; inner = 1.0; width = 0.1 } +directive defaultdiffusion 1E-10 +directive parameters + [ kt = 0.0001 + ; NX = 1.0 + ; NY = 1.0 + ; NG = 200.0 + ; NH = 200.0 + ; c1 = 0.01 + ; c2 = 0.01 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Deg NG | +init Fork_2_1 NG | +init Fork_2 NG | +init Join_1 NG | +init Join_2 NG | +init Reverse_2 NH | +init Reverse_1 (2.0 * NH) | +init Reverse NH | +init Strand_1 NY | +init Strand NX | +init X2X (2.0 * NH) | +Deg + Strand_1 ->{(kt * c1)} sp_1 + sp_0 | +Join_1 + Strand <->{(kt * c2)}{kt} sp_4 + sp_3 | +Fork_2 + sp_3 <->{kt}{kt} sp_5 + Strand | +sp_6 + Reverse_1 ->{kt} sp_8 + sp_7 | +sp_5 + Reverse <->{kt}{kt} sp_6 + Strand | +Join_2 + Strand <->{kt}{kt} sp_2 + Reverse | +sp_2 + Strand_1 <->{kt}{kt} sp_10 + sp_9 | +Fork_2_1 + sp_9 <->{kt}{kt} sp_11 + Strand_1 | +sp_12 + Reverse_1 ->{kt} sp_13 + sp_7 | +sp_11 + Reverse_2 <->{kt}{kt} sp_12 + Strand_1 | +sp_4 + X2X ->{kt} sp_15 + sp_7 | +sp_10 + X2X ->{kt} sp_14 + sp_7 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 10 Transducers.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 10 Transducers.crn new file mode 100644 index 0000000..be7df2b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 10 Transducers.crn @@ -0,0 +1,127 @@ +directive sample 0.0,300000.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[100.0] and NoReactiveGates@[100.0] and Invariant@[0.0..100.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[10.0] and not NoReactiveGates@[10.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init S 1.0 | +init T_39 1.0 | +init T_38 1.0 | +init T_37 1.0 | +init T_36 1.0 | +init T_35 1.0 | +init T_34 1.0 | +init T_33 1.0 | +init T_32 1.0 | +init T_31 1.0 | +init T_30 1.0 | +init T_29 1.0 | +init T_28 1.0 | +init T_27 1.0 | +init T_26 1.0 | +init T_25 1.0 | +init T_24 1.0 | +init T_23 1.0 | +init T_22 1.0 | +init T_21 1.0 | +init T_20 1.0 | +init T_19 1.0 | +init T_18 1.0 | +init T_17 1.0 | +init T_16 1.0 | +init T_15 1.0 | +init T_14 1.0 | +init T_13 1.0 | +init T_12 1.0 | +init T_11 1.0 | +init T_10 1.0 | +init T_9 1.0 | +init T_8 1.0 | +init T_7 1.0 | +init T_6 1.0 | +init T_5 1.0 | +init T_4 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + S <->{0.001}{0.001} sp_1 + sp_0 | +sp_1 + T ->{0.001} sp_4 + sp_3 + sp_2 | +sp_15 + T_37 ->{0.001} sp_18 + sp_17 + sp_16 | +sp_4 + sp_5 ->{0.001} sp_20 + sp_19 | +T_39 + sp_2 <->{0.001}{0.001} sp_15 + sp_5 | +sp_14 + T_33 ->{0.001} sp_23 + sp_22 + sp_21 | +T_35 + sp_2 <->{0.001}{0.001} sp_14 + sp_5 | +sp_25 + T_36 ->{0.001} sp_26 + sp_17 + sp_2 | +sp_26 + sp_5 ->{0.001} sp_27 + sp_19 | +sp_18 + sp_24 ->{0.001} sp_29 + sp_28 | +T_38 + sp_21 <->{0.001}{0.001} sp_25 + sp_24 | +sp_13 + T_29 ->{0.001} sp_32 + sp_31 + sp_30 | +T_31 + sp_2 <->{0.001}{0.001} sp_13 + sp_5 | +sp_34 + T_32 ->{0.001} sp_35 + sp_22 + sp_2 | +sp_35 + sp_5 ->{0.001} sp_36 + sp_19 | +sp_23 + sp_33 ->{0.001} sp_38 + sp_37 | +T_34 + sp_30 <->{0.001}{0.001} sp_34 + sp_33 | +sp_12 + T_25 ->{0.001} sp_41 + sp_40 + sp_39 | +T_27 + sp_2 <->{0.001}{0.001} sp_12 + sp_5 | +sp_43 + T_28 ->{0.001} sp_44 + sp_31 + sp_2 | +sp_44 + sp_5 ->{0.001} sp_45 + sp_19 | +sp_32 + sp_42 ->{0.001} sp_47 + sp_46 | +T_30 + sp_39 <->{0.001}{0.001} sp_43 + sp_42 | +sp_11 + T_21 ->{0.001} sp_50 + sp_49 + sp_48 | +T_23 + sp_2 <->{0.001}{0.001} sp_11 + sp_5 | +sp_52 + T_24 ->{0.001} sp_53 + sp_40 + sp_2 | +sp_53 + sp_5 ->{0.001} sp_54 + sp_19 | +sp_41 + sp_51 ->{0.001} sp_56 + sp_55 | +T_26 + sp_48 <->{0.001}{0.001} sp_52 + sp_51 | +sp_10 + T_17 ->{0.001} sp_59 + sp_58 + sp_57 | +T_19 + sp_2 <->{0.001}{0.001} sp_10 + sp_5 | +sp_61 + T_20 ->{0.001} sp_62 + sp_49 + sp_2 | +sp_62 + sp_5 ->{0.001} sp_63 + sp_19 | +sp_50 + sp_60 ->{0.001} sp_65 + sp_64 | +T_22 + sp_57 <->{0.001}{0.001} sp_61 + sp_60 | +sp_9 + T_13 ->{0.001} sp_68 + sp_67 + sp_66 | +T_15 + sp_2 <->{0.001}{0.001} sp_9 + sp_5 | +sp_70 + T_16 ->{0.001} sp_71 + sp_58 + sp_2 | +sp_71 + sp_5 ->{0.001} sp_72 + sp_19 | +sp_59 + sp_69 ->{0.001} sp_74 + sp_73 | +T_18 + sp_66 <->{0.001}{0.001} sp_70 + sp_69 | +sp_8 + T_9 ->{0.001} sp_77 + sp_76 + sp_75 | +T_11 + sp_2 <->{0.001}{0.001} sp_8 + sp_5 | +sp_79 + T_12 ->{0.001} sp_80 + sp_67 + sp_2 | +sp_80 + sp_5 ->{0.001} sp_81 + sp_19 | +sp_68 + sp_78 ->{0.001} sp_83 + sp_82 | +T_14 + sp_75 <->{0.001}{0.001} sp_79 + sp_78 | +sp_7 + T_5 ->{0.001} sp_86 + sp_85 + sp_84 | +T_7 + sp_2 <->{0.001}{0.001} sp_7 + sp_5 | +sp_88 + T_8 ->{0.001} sp_89 + sp_76 + sp_2 | +sp_89 + sp_5 ->{0.001} sp_90 + sp_19 | +sp_77 + sp_87 ->{0.001} sp_92 + sp_91 | +T_10 + sp_84 <->{0.001}{0.001} sp_88 + sp_87 | +sp_6 + T_1 ->{0.001} sp_94 + sp_3 + sp_93 | +T_3 + sp_2 <->{0.001}{0.001} sp_6 + sp_5 | +sp_94 + sp_0 ->{0.001} sp_96 + sp_95 | +sp_98 + T_4 ->{0.001} sp_99 + sp_85 + sp_2 | +sp_99 + sp_5 ->{0.001} sp_100 + sp_19 | +sp_86 + sp_97 ->{0.001} sp_102 + sp_101 | +T_6 + sp_93 <->{0.001}{0.001} sp_98 + sp_97 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 2 Transducers.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 2 Transducers.crn new file mode 100644 index 0000000..c56f80d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 2 Transducers.crn @@ -0,0 +1,47 @@ +directive sample 0.0,300000.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and NoReactiveGates@[20.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and not NoReactiveGates@[20.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init S 1.0 | +init T_7 1.0 | +init T_6 1.0 | +init T_5 1.0 | +init T_4 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + S <->{0.001}{0.001} sp_1 + sp_0 | +sp_1 + T ->{0.001} sp_4 + sp_3 + sp_2 | +sp_7 + T_5 ->{0.001} sp_10 + sp_9 + sp_8 | +sp_4 + sp_5 ->{0.001} sp_12 + sp_11 | +T_7 + sp_2 <->{0.001}{0.001} sp_7 + sp_5 | +sp_6 + T_1 ->{0.001} sp_14 + sp_3 + sp_13 | +T_3 + sp_2 <->{0.001}{0.001} sp_6 + sp_5 | +sp_14 + sp_0 ->{0.001} sp_16 + sp_15 | +sp_18 + T_4 ->{0.001} sp_19 + sp_9 + sp_2 | +sp_19 + sp_5 ->{0.001} sp_20 + sp_11 | +sp_10 + sp_17 ->{0.001} sp_22 + sp_21 | +T_6 + sp_13 <->{0.001}{0.001} sp_18 + sp_17 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 3 Transducers.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 3 Transducers.crn new file mode 100644 index 0000000..066a0e9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (buggy) 3 Transducers.crn @@ -0,0 +1,57 @@ +directive sample 0.0,300000.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and NoReactiveGates@[20.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and not NoReactiveGates@[20.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init S 1.0 | +init T_11 1.0 | +init T_10 1.0 | +init T_9 1.0 | +init T_8 1.0 | +init T_7 1.0 | +init T_6 1.0 | +init T_5 1.0 | +init T_4 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + S <->{0.001}{0.001} sp_1 + sp_0 | +sp_1 + T ->{0.001} sp_4 + sp_3 + sp_2 | +sp_8 + T_9 ->{0.001} sp_11 + sp_10 + sp_9 | +sp_4 + sp_5 ->{0.001} sp_13 + sp_12 | +T_11 + sp_2 <->{0.001}{0.001} sp_8 + sp_5 | +sp_7 + T_5 ->{0.001} sp_16 + sp_15 + sp_14 | +T_7 + sp_2 <->{0.001}{0.001} sp_7 + sp_5 | +sp_18 + T_8 ->{0.001} sp_19 + sp_10 + sp_2 | +sp_19 + sp_5 ->{0.001} sp_20 + sp_12 | +sp_11 + sp_17 ->{0.001} sp_22 + sp_21 | +T_10 + sp_14 <->{0.001}{0.001} sp_18 + sp_17 | +sp_6 + T_1 ->{0.001} sp_24 + sp_3 + sp_23 | +T_3 + sp_2 <->{0.001}{0.001} sp_6 + sp_5 | +sp_24 + sp_0 ->{0.001} sp_26 + sp_25 | +sp_28 + T_4 ->{0.001} sp_29 + sp_15 + sp_2 | +sp_29 + sp_5 ->{0.001} sp_30 + sp_12 | +sp_16 + sp_27 ->{0.001} sp_32 + sp_31 | +T_6 + sp_23 <->{0.001}{0.001} sp_28 + sp_27 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized Fanout) SQRT.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized Fanout) SQRT.crn new file mode 100644 index 0000000..f0ef2bc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized Fanout) SQRT.crn @@ -0,0 +1,93 @@ +directive sample 0.0,36000.0 2000 +directive plot M0; M1; L0; L1 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND_5 1000.0 | +init AND_4 1000.0 | +init AND_3 1000.0 | +init AND_2 1000.0 | +init AND_1 1000.0 | +init AND 1000.0 | +init FANOUT_3 2000.0 | +init FANOUT_2 1000.0 | +init FANOUT_1 2000.0 | +init FANOUT 1000.0 | +init OR_11 1000.0 | +init OR_10 1000.0 | +init OR_9 1000.0 | +init OR_8 1000.0 | +init OR_7 1000.0 | +init OR_6 1000.0 | +init OR_5 1000.0 | +init OR_4 1000.0 | +init OR_3 1000.0 | +init OR_2 1000.0 | +init OR_1 1000.0 | +init OR 1000.0 | +init REPORTER_3 1000.0 | +init REPORTER_2 1000.0 | +init REPORTER_1 1000.0 | +init REPORTER 1000.0 | +init STRAND_7 3000.0 | +init STRAND_5 3000.0 | +init STRAND_3 3000.0 | +init STRAND_1 3000.0 | +init THREEINPUTAND 1000.0 | +init THREEINPUTOR_2 1000.0 | +init THREEINPUTOR_1 1000.0 | +init THREEINPUTOR 1000.0 | +OR_4 + STRAND_7 ->{0.0003} sp_4 + sp_1 + sp_3 | +OR + STRAND_7 ->{0.0003} sp_2 + sp_1 + sp_0 | +AND_4 + sp_3 ->{0.0003} sp_7 + sp_6 + sp_5 | +AND_3 + STRAND_6 ->{0.0003} sp_11 + sp_9 + sp_8 | +AND + STRAND_6 ->{0.0003} sp_10 + sp_9 + sp_8 | +OR_5 + STRAND_5 ->{0.0003} sp_16 + sp_13 + sp_15 | +OR_1 + STRAND_5 ->{0.0003} sp_14 + sp_13 + sp_12 | +AND_4 + sp_15 ->{0.0003} sp_17 + sp_6 + sp_5 | +sp_11 + STRAND_4 ->{0.0003} sp_22 + sp_19 + sp_21 | +sp_10 + STRAND_4 ->{0.0003} sp_20 + sp_19 + sp_18 | +OR_2 + sp_18 ->{0.0003} sp_25 + sp_24 + sp_23 | +AND_1 + STRAND_3 ->{0.0003} sp_30 + sp_27 + sp_29 | +OR_10 + STRAND_3 ->{0.0003} sp_28 + sp_27 + sp_26 | +REPORTER_3 + sp_26 ->{0.0003} sp_31 + M1 | +AND_5 + STRAND_2 ->{0.0003} sp_36 + sp_33 + sp_35 | +OR_7 + STRAND_2 ->{0.0003} sp_34 + sp_33 + sp_32 | +sp_7 + sp_32 ->{0.0003} sp_40 + sp_38 + sp_37 | +sp_17 + sp_32 ->{0.0003} sp_39 + sp_38 + sp_37 | +OR_9 + sp_37 ->{0.0003} sp_43 + sp_42 + sp_41 | +REPORTER_1 + sp_41 ->{0.0003} sp_44 + L1 | +FANOUT_3 + STRAND_1 ->{0.0003} sp_49 + sp_46 + sp_48 | +OR_11 + STRAND_1 ->{0.0003} sp_47 + sp_46 + sp_45 | +sp_49 + FANOUT_2 <->{0.0003}{0.0003} sp_50 + STRAND_1 | +OR_6 + sp_48 ->{0.0003} sp_53 + sp_52 + sp_51 | +sp_7 + sp_51 ->{0.0003} sp_55 + sp_38 + sp_37 | +sp_17 + sp_51 ->{0.0003} sp_54 + sp_38 + sp_37 | +REPORTER_3 + sp_45 ->{0.0003} sp_56 + M1 | +FANOUT_1 + STRAND ->{0.0003} sp_61 + sp_58 + sp_60 | +sp_36 + STRAND ->{0.0003} sp_59 + sp_58 + sp_57 | +sp_61 + FANOUT <->{0.0003}{0.0003} sp_62 + STRAND | +sp_30 + sp_60 ->{0.0003} sp_65 + sp_64 + sp_63 | +OR_3 + sp_63 ->{0.0003} sp_68 + sp_67 + sp_66 | +REPORTER_2 + sp_57 ->{0.0003} sp_69 + M0 | +THREEINPUTAND + sp_48 ->{0.0003} sp_71 + sp_52 + sp_70 | +sp_71 + STRAND_3 ->{0.0003} sp_73 + sp_27 + sp_72 | +sp_73 + sp_21 ->{0.0003} sp_76 + sp_75 + sp_74 | +OR_8 + sp_74 ->{0.0003} sp_79 + sp_78 + sp_77 | +REPORTER_1 + sp_77 ->{0.0003} sp_80 + L1 | +THREEINPUTOR_2 + sp_60 ->{0.0003} sp_82 + sp_64 + sp_81 | +AND_2 + sp_81 ->{0.0003} sp_85 + sp_84 + sp_83 | +sp_85 + sp_23 ->{0.0003} sp_89 + sp_87 + sp_86 | +sp_85 + sp_66 ->{0.0003} sp_88 + sp_87 + sp_86 | +REPORTER + sp_86 ->{0.0003} sp_90 + L0 | +THREEINPUTOR_1 + STRAND_2 ->{0.0003} sp_92 + sp_33 + sp_91 | +AND_2 + sp_91 ->{0.0003} sp_93 + sp_84 + sp_83 | +sp_93 + sp_23 ->{0.0003} sp_95 + sp_87 + sp_86 | +sp_93 + sp_66 ->{0.0003} sp_94 + sp_87 + sp_86 | +THREEINPUTOR + sp_0 ->{0.0003} sp_99 + sp_97 + sp_96 | +THREEINPUTOR + sp_12 ->{0.0003} sp_98 + sp_97 + sp_96 | +AND_2 + sp_96 ->{0.0003} sp_100 + sp_84 + sp_83 | +sp_100 + sp_23 ->{0.0003} sp_102 + sp_87 + sp_86 | +sp_100 + sp_66 ->{0.0003} sp_101 + sp_87 + sp_86 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized) Fanout.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized) Fanout.crn new file mode 100644 index 0000000..56cd4ec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized) Fanout.crn @@ -0,0 +1,14 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init FANOUT_1 2.0 | +init FANOUT 1.0 | +init INPUT 1.0 | +init REPORTER 10.0 | +FANOUT_1 + INPUT ->{0.0003} sp_2 + sp_1 + sp_0 | +sp_2 + FANOUT <->{0.0003}{0.0003} sp_3 + INPUT | +REPORTER + sp_0 ->{0.0003} sp_4 + OUTPUT \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized) SQRT.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized) SQRT.crn new file mode 100644 index 0000000..01bf8d8 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - (localized) SQRT.crn @@ -0,0 +1,101 @@ +directive sample 0.0,36000.0 2000 +directive plot M0; M1; L0; L1 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND_5 1000.0 | +init AND_4 1000.0 | +init AND_3 1000.0 | +init AND_2 1000.0 | +init AND_1 1000.0 | +init AND 1000.0 | +init FANOUT_3 2000.0 | +init FANOUT_2 1000.0 | +init FANOUT_1 2000.0 | +init FANOUT 1000.0 | +init OR_11 1000.0 | +init OR_10 1000.0 | +init OR_9 1000.0 | +init OR_8 1000.0 | +init OR_7 1000.0 | +init OR_6 1000.0 | +init OR_5 1000.0 | +init OR_4 1000.0 | +init OR_3 1000.0 | +init OR_2 1000.0 | +init OR_1 1000.0 | +init OR 1000.0 | +init REPORTER_3 1000.0 | +init REPORTER_2 1000.0 | +init REPORTER_1 1000.0 | +init REPORTER 1000.0 | +init STRAND_23 1000.0 | +init STRAND_21 1000.0 | +init STRAND_19 1000.0 | +init STRAND_17 1000.0 | +init STRAND_15 1000.0 | +init STRAND_13 1000.0 | +init STRAND_11 1000.0 | +init STRAND_9 1000.0 | +init STRAND_7 1000.0 | +init STRAND_5 1000.0 | +init STRAND_3 1000.0 | +init STRAND_1 1000.0 | +init THREEINPUTAND 1000.0 | +init THREEINPUTOR_2 1000.0 | +init THREEINPUTOR_1 1000.0 | +init THREEINPUTOR 1000.0 | +OR_10 + STRAND_19 ->{0.0025} sp_2 + sp_1 + sp_0 | +REPORTER_3 + sp_0 ->{0.0025} sp_3 + M1 | +AND_5 + STRAND_18 ->{0.0025} sp_6 + sp_5 + sp_4 | +OR_11 + STRAND_17 ->{0.0025} sp_9 + sp_8 + sp_7 | +REPORTER_3 + sp_7 ->{0.0025} sp_10 + M1 | +sp_6 + STRAND_16 ->{0.0025} sp_13 + sp_12 + sp_11 | +REPORTER_2 + sp_11 ->{0.0025} sp_14 + M0 | +OR_4 + STRAND_15 ->{0.0025} sp_17 + sp_16 + sp_15 | +AND_4 + sp_15 ->{0.0025} sp_20 + sp_19 + sp_18 | +AND_3 + STRAND_14 ->{0.0025} sp_23 + sp_22 + sp_21 | +OR_5 + STRAND_13 ->{0.0025} sp_26 + sp_25 + sp_24 | +AND_4 + sp_24 ->{0.0025} sp_27 + sp_19 + sp_18 | +sp_23 + STRAND_12 ->{0.0025} sp_30 + sp_29 + sp_28 | +OR_7 + STRAND_10 ->{0.0025} sp_33 + sp_32 + sp_31 | +sp_20 + sp_31 ->{0.0025} sp_37 + sp_35 + sp_34 | +sp_27 + sp_31 ->{0.0025} sp_36 + sp_35 + sp_34 | +OR_9 + sp_34 ->{0.0025} sp_40 + sp_39 + sp_38 | +REPORTER_1 + sp_38 ->{0.0025} sp_41 + L1 | +FANOUT_3 + STRAND_9 ->{0.0025} sp_44 + sp_43 + sp_42 | +sp_44 + FANOUT_2 <->{0.0025}{0.0025} sp_45 + STRAND_9 | +OR_6 + sp_42 ->{0.0025} sp_48 + sp_47 + sp_46 | +sp_20 + sp_46 ->{0.0025} sp_50 + sp_35 + sp_34 | +sp_27 + sp_46 ->{0.0025} sp_49 + sp_35 + sp_34 | +OR + STRAND_7 ->{0.0025} sp_53 + sp_52 + sp_51 | +AND + STRAND_6 ->{0.0025} sp_56 + sp_55 + sp_54 | +OR_1 + STRAND_5 ->{0.0025} sp_59 + sp_58 + sp_57 | +sp_56 + STRAND_4 ->{0.0025} sp_62 + sp_61 + sp_60 | +OR_2 + sp_60 ->{0.0025} sp_65 + sp_64 + sp_63 | +AND_1 + STRAND_3 ->{0.0025} sp_68 + sp_67 + sp_66 | +FANOUT_1 + STRAND ->{0.0025} sp_71 + sp_70 + sp_69 | +sp_71 + FANOUT <->{0.0025}{0.0025} sp_72 + STRAND | +sp_68 + sp_69 ->{0.0025} sp_75 + sp_74 + sp_73 | +OR_3 + sp_73 ->{0.0025} sp_78 + sp_77 + sp_76 | +THREEINPUTAND + sp_42 ->{0.0025} sp_80 + sp_47 + sp_79 | +sp_80 + STRAND_11 ->{0.0025} sp_83 + sp_82 + sp_81 | +sp_83 + sp_28 ->{0.0025} sp_86 + sp_85 + sp_84 | +OR_8 + sp_84 ->{0.0025} sp_89 + sp_88 + sp_87 | +REPORTER_1 + sp_87 ->{0.0025} sp_90 + L1 | +THREEINPUTOR_2 + sp_69 ->{0.0025} sp_92 + sp_74 + sp_91 | +AND_2 + sp_91 ->{0.0025} sp_95 + sp_94 + sp_93 | +sp_95 + sp_63 ->{0.0025} sp_99 + sp_97 + sp_96 | +sp_95 + sp_76 ->{0.0025} sp_98 + sp_97 + sp_96 | +REPORTER + sp_96 ->{0.0025} sp_100 + L0 | +THREEINPUTOR_1 + STRAND_2 ->{0.0025} sp_103 + sp_102 + sp_101 | +AND_2 + sp_101 ->{0.0025} sp_104 + sp_94 + sp_93 | +sp_104 + sp_63 ->{0.0025} sp_106 + sp_97 + sp_96 | +sp_104 + sp_76 ->{0.0025} sp_105 + sp_97 + sp_96 | +THREEINPUTOR + sp_51 ->{0.0025} sp_110 + sp_108 + sp_107 | +THREEINPUTOR + sp_57 ->{0.0025} sp_109 + sp_108 + sp_107 | +AND_2 + sp_107 ->{0.0025} sp_111 + sp_94 + sp_93 | +sp_111 + sp_63 ->{0.0025} sp_113 + sp_97 + sp_96 | +sp_111 + sp_76 ->{0.0025} sp_112 + sp_97 + sp_96 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 10 Transducers.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 10 Transducers.crn new file mode 100644 index 0000000..cb68a2f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 10 Transducers.crn @@ -0,0 +1,117 @@ +directive sample 0.0,300000.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init S 1.0 | +init T_39 1.0 | +init T_38 1.0 | +init T_37 1.0 | +init T_36 1.0 | +init T_35 1.0 | +init T_34 1.0 | +init T_33 1.0 | +init T_32 1.0 | +init T_31 1.0 | +init T_30 1.0 | +init T_29 1.0 | +init T_28 1.0 | +init T_27 1.0 | +init T_26 1.0 | +init T_25 1.0 | +init T_24 1.0 | +init T_23 1.0 | +init T_22 1.0 | +init T_21 1.0 | +init T_20 1.0 | +init T_19 1.0 | +init T_18 1.0 | +init T_17 1.0 | +init T_16 1.0 | +init T_15 1.0 | +init T_14 1.0 | +init T_13 1.0 | +init T_12 1.0 | +init T_11 1.0 | +init T_10 1.0 | +init T_9 1.0 | +init T_8 1.0 | +init T_7 1.0 | +init T_6 1.0 | +init T_5 1.0 | +init T_4 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + S <->{0.001}{0.001} sp_1 + sp_0 | +sp_1 + T ->{0.001} sp_4 + sp_3 + sp_2 | +sp_6 + T_1 ->{0.001} sp_8 + sp_3 + sp_7 | +sp_8 + sp_0 ->{0.001} sp_10 + sp_9 | +sp_12 + T_4 ->{0.001} sp_15 + sp_14 + sp_13 | +sp_17 + T_5 ->{0.001} sp_19 + sp_14 + sp_18 | +sp_21 + T_8 ->{0.001} sp_24 + sp_23 + sp_22 | +sp_26 + T_9 ->{0.001} sp_28 + sp_23 + sp_27 | +sp_30 + T_12 ->{0.001} sp_33 + sp_32 + sp_31 | +sp_35 + T_13 ->{0.001} sp_37 + sp_32 + sp_36 | +sp_39 + T_16 ->{0.001} sp_42 + sp_41 + sp_40 | +sp_44 + T_17 ->{0.001} sp_46 + sp_41 + sp_45 | +sp_48 + T_20 ->{0.001} sp_51 + sp_50 + sp_49 | +sp_53 + T_21 ->{0.001} sp_55 + sp_50 + sp_54 | +sp_57 + T_24 ->{0.001} sp_60 + sp_59 + sp_58 | +sp_62 + T_25 ->{0.001} sp_64 + sp_59 + sp_63 | +sp_66 + T_28 ->{0.001} sp_69 + sp_68 + sp_67 | +sp_71 + T_29 ->{0.001} sp_73 + sp_68 + sp_72 | +sp_75 + T_32 ->{0.001} sp_78 + sp_77 + sp_76 | +sp_80 + T_33 ->{0.001} sp_82 + sp_77 + sp_81 | +sp_84 + T_36 ->{0.001} sp_87 + sp_86 + sp_85 | +sp_89 + T_37 ->{0.001} sp_91 + sp_86 + sp_90 | +sp_87 + sp_88 ->{0.001} sp_93 + sp_92 | +T_39 + sp_85 <->{0.001}{0.001} sp_89 + sp_88 | +T_38 + sp_81 <->{0.001}{0.001} sp_84 + sp_83 | +sp_91 + sp_83 ->{0.001} sp_95 + sp_94 | +sp_78 + sp_79 ->{0.001} sp_97 + sp_96 | +T_35 + sp_76 <->{0.001}{0.001} sp_80 + sp_79 | +T_34 + sp_72 <->{0.001}{0.001} sp_75 + sp_74 | +sp_82 + sp_74 ->{0.001} sp_99 + sp_98 | +sp_69 + sp_70 ->{0.001} sp_101 + sp_100 | +T_31 + sp_67 <->{0.001}{0.001} sp_71 + sp_70 | +T_30 + sp_63 <->{0.001}{0.001} sp_66 + sp_65 | +sp_73 + sp_65 ->{0.001} sp_103 + sp_102 | +sp_60 + sp_61 ->{0.001} sp_105 + sp_104 | +T_27 + sp_58 <->{0.001}{0.001} sp_62 + sp_61 | +T_26 + sp_54 <->{0.001}{0.001} sp_57 + sp_56 | +sp_64 + sp_56 ->{0.001} sp_107 + sp_106 | +sp_51 + sp_52 ->{0.001} sp_109 + sp_108 | +T_23 + sp_49 <->{0.001}{0.001} sp_53 + sp_52 | +T_22 + sp_45 <->{0.001}{0.001} sp_48 + sp_47 | +sp_55 + sp_47 ->{0.001} sp_111 + sp_110 | +sp_42 + sp_43 ->{0.001} sp_113 + sp_112 | +T_19 + sp_40 <->{0.001}{0.001} sp_44 + sp_43 | +T_18 + sp_36 <->{0.001}{0.001} sp_39 + sp_38 | +sp_46 + sp_38 ->{0.001} sp_115 + sp_114 | +sp_33 + sp_34 ->{0.001} sp_117 + sp_116 | +T_15 + sp_31 <->{0.001}{0.001} sp_35 + sp_34 | +T_14 + sp_27 <->{0.001}{0.001} sp_30 + sp_29 | +sp_37 + sp_29 ->{0.001} sp_119 + sp_118 | +sp_24 + sp_25 ->{0.001} sp_121 + sp_120 | +T_11 + sp_22 <->{0.001}{0.001} sp_26 + sp_25 | +T_10 + sp_18 <->{0.001}{0.001} sp_21 + sp_20 | +sp_28 + sp_20 ->{0.001} sp_123 + sp_122 | +sp_15 + sp_16 ->{0.001} sp_125 + sp_124 | +T_7 + sp_13 <->{0.001}{0.001} sp_17 + sp_16 | +T_6 + sp_7 <->{0.001}{0.001} sp_12 + sp_11 | +sp_19 + sp_11 ->{0.001} sp_127 + sp_126 | +sp_4 + sp_5 ->{0.001} sp_129 + sp_128 | +T_3 + sp_2 <->{0.001}{0.001} sp_6 + sp_5 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 2 Transducers.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 2 Transducers.crn new file mode 100644 index 0000000..2f8f83f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 2 Transducers.crn @@ -0,0 +1,47 @@ +directive sample 0.0,300000.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and NoReactiveGates@[20.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and not NoReactiveGates@[20.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init S 1.0 | +init T_7 1.0 | +init T_6 1.0 | +init T_5 1.0 | +init T_4 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + S <->{0.001}{0.001} sp_1 + sp_0 | +sp_1 + T ->{0.001} sp_4 + sp_3 + sp_2 | +sp_6 + T_1 ->{0.001} sp_8 + sp_3 + sp_7 | +sp_8 + sp_0 ->{0.001} sp_10 + sp_9 | +sp_12 + T_4 ->{0.001} sp_15 + sp_14 + sp_13 | +sp_17 + T_5 ->{0.001} sp_19 + sp_14 + sp_18 | +sp_15 + sp_16 ->{0.001} sp_21 + sp_20 | +T_7 + sp_13 <->{0.001}{0.001} sp_17 + sp_16 | +T_6 + sp_7 <->{0.001}{0.001} sp_12 + sp_11 | +sp_19 + sp_11 ->{0.001} sp_23 + sp_22 | +sp_4 + sp_5 ->{0.001} sp_25 + sp_24 | +T_3 + sp_2 <->{0.001}{0.001} sp_6 + sp_5 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 3 Transducers.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 3 Transducers.crn new file mode 100644 index 0000000..b5f3001 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - 3 Transducers.crn @@ -0,0 +1,57 @@ +directive sample 0.0,300000.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +query good = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and NoReactiveGates@[0.0] +} | +query findGood = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and NoReactiveGates@[20.0] +} | +query findBad = { +abstraction stutter; + +Init@[0.0] and Terminal@[20.0] and not NoReactiveGates@[20.0] +} | +query bad = { +enumeration limit 5; + +Terminal@[0.0] and Invariant@[0.0] and not NoReactiveGates@[0.0] +} | +init S 1.0 | +init T_11 1.0 | +init T_10 1.0 | +init T_9 1.0 | +init T_8 1.0 | +init T_7 1.0 | +init T_6 1.0 | +init T_5 1.0 | +init T_4 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + S <->{0.001}{0.001} sp_1 + sp_0 | +sp_1 + T ->{0.001} sp_4 + sp_3 + sp_2 | +sp_6 + T_1 ->{0.001} sp_8 + sp_3 + sp_7 | +sp_8 + sp_0 ->{0.001} sp_10 + sp_9 | +sp_12 + T_4 ->{0.001} sp_15 + sp_14 + sp_13 | +sp_17 + T_5 ->{0.001} sp_19 + sp_14 + sp_18 | +sp_21 + T_8 ->{0.001} sp_24 + sp_23 + sp_22 | +sp_26 + T_9 ->{0.001} sp_28 + sp_23 + sp_27 | +sp_24 + sp_25 ->{0.001} sp_30 + sp_29 | +T_11 + sp_22 <->{0.001}{0.001} sp_26 + sp_25 | +T_10 + sp_18 <->{0.001}{0.001} sp_21 + sp_20 | +sp_28 + sp_20 ->{0.001} sp_32 + sp_31 | +sp_15 + sp_16 ->{0.001} sp_34 + sp_33 | +T_7 + sp_13 <->{0.001}{0.001} sp_17 + sp_16 | +T_6 + sp_7 <->{0.001}{0.001} sp_12 + sp_11 | +sp_19 + sp_11 ->{0.001} sp_36 + sp_35 | +sp_4 + sp_5 ->{0.001} sp_38 + sp_37 | +T_3 + sp_2 <->{0.001}{0.001} sp_6 + sp_5 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - And.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - And.crn new file mode 100644 index 0000000..333ea49 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - And.crn @@ -0,0 +1,12 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND 10.0 | +init REPORTER 10.0 | +AND + INPUT_A ->{0.0003} sp_2 + sp_1 + sp_0 | +sp_2 + INPUT_B ->{0.0003} sp_5 + sp_4 + sp_3 | +REPORTER + sp_3 ->{0.0003} sp_6 + OUTPUT \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - Fanout.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - Fanout.crn new file mode 100644 index 0000000..8e104d7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - Fanout.crn @@ -0,0 +1,15 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init FANOUT_1 1.0 | +init FANOUT 1.0 | +init INPUT 1.0 | +init REPORTER 10.0 | +FANOUT_1 + INPUT ->{0.0003} sp_2 + sp_1 + sp_0 | +sp_2 + FANOUT ->{0.0003} sp_5 + sp_4 + sp_3 | +REPORTER + sp_3 ->{0.0003} sp_7 + OUTPUT | +REPORTER + sp_0 ->{0.0003} sp_6 + OUTPUT \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - Or.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - Or.crn new file mode 100644 index 0000000..4054a61 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - Or.crn @@ -0,0 +1,14 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init OR_1 10.0 | +init OR 10.0 | +init REPORTER 10.0 | +OR_1 + INPUT_B ->{0.0003} sp_2 + sp_1 + sp_0 | +OR + INPUT_A ->{0.0003} sp_5 + sp_4 + sp_3 | +REPORTER + sp_0 ->{0.0003} sp_7 + OUTPUT | +REPORTER + sp_3 ->{0.0003} sp_6 + OUTPUT \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - SQRT.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - SQRT.crn new file mode 100644 index 0000000..096750e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Formal Analysis - SQRT.crn @@ -0,0 +1,99 @@ +directive sample 0.0,36000.0 2000 +directive plot M0; M1; L0; L1 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND_5 20.0 | +init AND_4 20.0 | +init AND_3 20.0 | +init AND_2 20.0 | +init AND_1 20.0 | +init AND 20.0 | +init FANOUT2_3 20.0 | +init FANOUT2_2 20.0 | +init FANOUT2_1 20.0 | +init FANOUT2 20.0 | +init OR_11 20.0 | +init OR_10 20.0 | +init OR_9 20.0 | +init OR_8 20.0 | +init OR_7 20.0 | +init OR_6 20.0 | +init OR_5 20.0 | +init OR_4 20.0 | +init OR_3 20.0 | +init OR_2 20.0 | +init OR_1 20.0 | +init OR 20.0 | +init REPORTER_3 20.0 | +init REPORTER_2 20.0 | +init REPORTER_1 20.0 | +init REPORTER 20.0 | +init STRAND_6 20.0 | +init STRAND_4 20.0 | +init STRAND_3 20.0 | +init STRAND_1 20.0 | +init THREEINPUTAND 20.0 | +init THREEINPUTOR_2 20.0 | +init THREEINPUTOR_1 20.0 | +init THREEINPUTOR 20.0 | +OR_4 + STRAND_7 ->{0.0003} sp_4 + sp_1 + sp_3 | +OR + STRAND_7 ->{0.0003} sp_2 + sp_1 + sp_0 | +AND_4 + sp_3 ->{0.0003} sp_7 + sp_6 + sp_5 | +AND_3 + STRAND_6 ->{0.0003} sp_11 + sp_9 + sp_8 | +AND + STRAND_6 ->{0.0003} sp_10 + sp_9 + sp_8 | +OR_5 + STRAND_5 ->{0.0003} sp_16 + sp_13 + sp_15 | +OR_1 + STRAND_5 ->{0.0003} sp_14 + sp_13 + sp_12 | +AND_4 + sp_15 ->{0.0003} sp_17 + sp_6 + sp_5 | +sp_11 + STRAND_4 ->{0.0003} sp_22 + sp_19 + sp_21 | +sp_10 + STRAND_4 ->{0.0003} sp_20 + sp_19 + sp_18 | +OR_2 + sp_18 ->{0.0003} sp_25 + sp_24 + sp_23 | +AND_1 + STRAND_3 ->{0.0003} sp_30 + sp_27 + sp_29 | +OR_10 + STRAND_3 ->{0.0003} sp_28 + sp_27 + sp_26 | +REPORTER_3 + sp_26 ->{0.0003} sp_31 + M1 | +AND_5 + STRAND_2 ->{0.0003} sp_36 + sp_33 + sp_35 | +OR_7 + STRAND_2 ->{0.0003} sp_34 + sp_33 + sp_32 | +sp_7 + sp_32 ->{0.0003} sp_40 + sp_38 + sp_37 | +sp_17 + sp_32 ->{0.0003} sp_39 + sp_38 + sp_37 | +OR_9 + sp_37 ->{0.0003} sp_43 + sp_42 + sp_41 | +REPORTER_1 + sp_41 ->{0.0003} sp_44 + L1 | +FANOUT2_3 + STRAND_1 ->{0.0003} sp_49 + sp_46 + sp_48 | +OR_11 + STRAND_1 ->{0.0003} sp_47 + sp_46 + sp_45 | +sp_49 + FANOUT2_2 ->{0.0003} sp_52 + sp_51 + sp_50 | +OR_6 + sp_50 ->{0.0003} sp_55 + sp_54 + sp_53 | +sp_7 + sp_53 ->{0.0003} sp_57 + sp_38 + sp_37 | +sp_17 + sp_53 ->{0.0003} sp_56 + sp_38 + sp_37 | +OR_6 + sp_48 ->{0.0003} sp_58 + sp_54 + sp_53 | +REPORTER_3 + sp_45 ->{0.0003} sp_59 + M1 | +FANOUT2_1 + STRAND ->{0.0003} sp_64 + sp_61 + sp_63 | +sp_36 + STRAND ->{0.0003} sp_62 + sp_61 + sp_60 | +sp_64 + FANOUT2 ->{0.0003} sp_66 + sp_51 + sp_65 | +sp_30 + sp_65 ->{0.0003} sp_69 + sp_68 + sp_67 | +OR_3 + sp_67 ->{0.0003} sp_72 + sp_71 + sp_70 | +sp_30 + sp_63 ->{0.0003} sp_73 + sp_68 + sp_67 | +REPORTER_2 + sp_60 ->{0.0003} sp_74 + M0 | +THREEINPUTAND + sp_50 ->{0.0003} sp_77 + sp_54 + sp_75 | +THREEINPUTAND + sp_48 ->{0.0003} sp_76 + sp_54 + sp_75 | +sp_77 + STRAND_3 ->{0.0003} sp_79 + sp_27 + sp_78 | +sp_79 + sp_21 ->{0.0003} sp_82 + sp_81 + sp_80 | +OR_8 + sp_80 ->{0.0003} sp_85 + sp_84 + sp_83 | +REPORTER_1 + sp_83 ->{0.0003} sp_86 + L1 | +sp_76 + STRAND_3 ->{0.0003} sp_87 + sp_27 + sp_78 | +sp_87 + sp_21 ->{0.0003} sp_88 + sp_81 + sp_80 | +THREEINPUTOR_2 + sp_65 ->{0.0003} sp_91 + sp_68 + sp_89 | +THREEINPUTOR_2 + sp_63 ->{0.0003} sp_90 + sp_68 + sp_89 | +AND_2 + sp_89 ->{0.0003} sp_94 + sp_93 + sp_92 | +sp_94 + sp_23 ->{0.0003} sp_98 + sp_96 + sp_95 | +sp_94 + sp_70 ->{0.0003} sp_97 + sp_96 + sp_95 | +REPORTER + sp_95 ->{0.0003} sp_99 + L0 | +THREEINPUTOR_1 + STRAND_2 ->{0.0003} sp_101 + sp_33 + sp_100 | +AND_2 + sp_100 ->{0.0003} sp_102 + sp_93 + sp_92 | +sp_102 + sp_23 ->{0.0003} sp_104 + sp_96 + sp_95 | +sp_102 + sp_70 ->{0.0003} sp_103 + sp_96 + sp_95 | +THREEINPUTOR + sp_0 ->{0.0003} sp_108 + sp_106 + sp_105 | +THREEINPUTOR + sp_12 ->{0.0003} sp_107 + sp_106 + sp_105 | +AND_2 + sp_105 ->{0.0003} sp_109 + sp_93 + sp_92 | +sp_109 + sp_23 ->{0.0003} sp_111 + sp_96 + sp_95 | +sp_109 + sp_70 ->{0.0003} sp_110 + sp_96 + sp_95 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Kim et al., Mol Syst Biol 2011 - Oscillator.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Kim et al., Mol Syst Biol 2011 - Oscillator.crn new file mode 100644 index 0000000..5587def --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Kim et al., Mol Syst Biol 2011 - Oscillator.crn @@ -0,0 +1,40 @@ +directive sample 0.0,72000.0 1000 +directive plot T21; T12 +directive simulation deterministicstiff +directive parameters + [ kTA21 = 7.4E-05 + ; kTA12 = 1.4E-05 + ; kAI1 = 5.3E-05 + ; krAI1 = 2.4E-05 + ; kAI2 = 3.1E-05 + ; kTAI21 = 2.8E-05 + ; kTAI12 = 0.00014 + ; kAIrA1 = 2.8E-05 + ; cRNaseH = 15.0 + ; cRNAP = 125.0 + ; kRNAP = 0.0323 + ; kRNaseH = 0.0196 + ; S = 0.02 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init A1 250.0 | +init A2 500.0 | +init T12 120.0 | +init T21 250.0 | +init dI1 1000.0 | +A2rI2 ->{((S * 0.24) * (cRNaseH / 18.4))} A2 | +rA1dI1 ->{((S * 0.05) * (cRNaseH / 76.5))} dI1 | +T12A2 ->{(0.05 * (cRNAP / (68.5 + cRNAP)))} T12A2 + rA1 | +T21A1 ->{(0.08 * (cRNAP / (247.8 + cRNAP)))} T21A1 + rI2 | +T12 ->{(0.002 * (cRNAP / (2620.02 + cRNAP)))} T12 + rA1 | +T21 ->{(0.02 * (cRNAP / (2670.2 + cRNAP)))} T21 + rI2 | +T12 + A2 ->{kTA12} T12A2 | +T21 + A1 ->{kTA21} T21A1 | +T21 + A1dI1 <->{0.0}{kTAI21} T21A1 + dI1 | +dI1 + A1 ->{kAI1} A1dI1 | +rA1 + dI1 ->{krAI1} rA1dI1 | +A1dI1 + rA1 <->{kAIrA1}{0.0} rA1dI1 + A1 | +T12A2 + rI2 ->{kTAI12} A2rI2 + T12 | +rI2 + A2 ->{kAI2} A2rI2 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Remote transmission lines.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Remote transmission lines.crn new file mode 100644 index 0000000..feb9641 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Remote transmission lines.crn @@ -0,0 +1,24 @@ +directive sample 0.0,40000.0 1000 +directive plot input; fuel; probe; reporter +directive simulation deterministicstiff +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init fuel 4.0 | +init input 1.0 | +init origami1 1.0 | +init origami2 1.0 | +init probe 1.0 | +origami1 + input ->{0.0003} sp_0 | +sp_0 + fuel ->{0.0003} sp_1 | +sp_1 ->{30.0} sp_2 | +sp_2 + fuel ->{0.0003} sp_3 | +sp_3 ->{30.0} sp_5 + sp_4 | +origami2 + sp_5 ->{0.0003} sp_6 | +sp_6 + fuel ->{0.0003} sp_7 | +sp_7 ->{30.0} sp_8 | +sp_8 + fuel ->{0.0003} sp_9 | +sp_9 ->{30.0} sp_10 | +sp_10 + probe ->{0.0003} reporter + sp_11 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.crn new file mode 100644 index 0000000..0404fb2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.crn @@ -0,0 +1,17 @@ +directive sample 0.0,40000.0 1000 +directive plot reporter +directive simulation deterministicstiff +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init fuel 2.0 | +init input1 1.0 | +init origami 1.0 | +init probe 1.0 | +origami + input1 ->{0.0003} sp_0 | +sp_0 + fuel ->{0.0003} sp_1 | +sp_1 ->{300.0} sp_3 | +sp_1 ->{30.0} sp_2 | +sp_2 + probe ->{0.0003} reporter + sp_4 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Threshold spatial AND.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Threshold spatial AND.crn new file mode 100644 index 0000000..b204f7d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Threshold spatial AND.crn @@ -0,0 +1,15 @@ +directive sample 0.0,10000.0 1000 +directive simulation deterministicstiff +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init fuel 3.0 | +init input1 1.0 | +init origami 1.0 | +origami + input1 ->{0.0003} sp_0 | +sp_0 + fuel ->{0.0003} sp_1 | +sp_1 ->{300.0} sp_3 | +sp_1 ->{30.0} sp_2 | +sp_2 + fuel ->{0.0003} sp_4 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Transmission lines.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Transmission lines.crn new file mode 100644 index 0000000..8e870bd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., DNA 2014 - Transmission lines.crn @@ -0,0 +1,18 @@ +directive sample 0.0,40000.0 1000 +directive plot input; fuel; probe; reporter +directive simulation deterministicstiff +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init fuel 2.0 | +init input 1.0 | +init origami 1.0 | +init probe 1.0 | +origami + input ->{0.0003} sp_0 | +sp_0 + fuel ->{0.0003} sp_1 | +sp_1 ->{30.0} sp_2 | +sp_2 + fuel ->{0.0003} sp_3 | +sp_3 ->{30.0} sp_4 | +sp_4 + probe ->{0.0003} reporter + sp_5 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Buffered oscillators.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Buffered oscillators.crn new file mode 100644 index 0000000..7f1f880 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Buffered oscillators.crn @@ -0,0 +1,321 @@ +directive sample 0.0,250000.0 1000 +directive plot sum(Species;sp_159;sp_158); sum(Species_1;sp_78;sp_77); sum(Species_2;sp_30;sp_29) +directive reltolerance 0.0001 +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init BJ2x2_17 10.0 | +init BJ2x2_16 100.0 | +init BJ2x2_15 1000.0 | +init BJ2x2_14 1000.0 | +init BJ2x2_13 1000.0 | +init BJ2x2_12 100.0 | +init BJ2x2_11 10.0 | +init BJ2x2_10 100.0 | +init BJ2x2_9 1000.0 | +init BJ2x2_8 1000.0 | +init BJ2x2_7 1000.0 | +init BJ2x2_6 100.0 | +init BJ2x2_5 10.0 | +init BJ2x2_4 100.0 | +init BJ2x2_3 1000.0 | +init BJ2x2_2 1000.0 | +init BJ2x2_1 1000.0 | +init BJ2x2 100.0 | +init Species_2 2.0 | +init Species_1 4.0 | +init Species 2.0 | +BJ2x2_12 + BJ2x2_17 <->{0.0003}{0.1126} sp_0 | +BJ2x2_15 + sp_1 ->{0.0003} sp_4 + sp_3 | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 | +BJ2x2_6 + BJ2x2_11 <->{0.0003}{0.1126} sp_5 | +BJ2x2_9 + sp_6 ->{0.0003} sp_9 + sp_8 | +sp_5 <->{0.1126}{0.0003} sp_7 + sp_6 | +BJ2x2 + BJ2x2_5 <->{0.0003}{0.1126} sp_10 | +BJ2x2_3 + sp_11 ->{0.0003} sp_14 + sp_13 | +sp_10 <->{0.1126}{0.0003} sp_12 + sp_11 | +sp_2 + Species_2 <->{0.0003}{0.1126} sp_15 | +sp_15 <->{0.1126}{0.0003} sp_16 + BJ2x2_16 | +sp_16 + BJ2x2_11 <->{0.0003}{0.1126} sp_17 | +sp_17 <->{0.1126}{0.0003} sp_18 + Species_2 | +sp_18 + sp_1 <->{0.0003}{0.1126} sp_19 | +sp_19 <->{0.1126}{0.0003} sp_20 + BJ2x2_17 | +sp_7 + Species_1 <->{0.0003}{0.1126} sp_21 | +sp_21 <->{0.1126}{0.0003} sp_22 + BJ2x2_10 | +sp_22 + BJ2x2_5 <->{0.0003}{0.1126} sp_24 | +sp_24 <->{0.1126}{0.0003} sp_25 + Species_1 | +sp_25 + sp_6 <->{0.0003}{0.1126} sp_26 | +sp_26 <->{0.1126}{0.0003} sp_27 + BJ2x2_11 | +sp_22 + Species_2 <->{0.0003}{0.1126} sp_23 | +sp_23 <->{0.1126}{0.0003} sp_28 + BJ2x2_11 | +sp_28 + BJ2x2_7 ->{0.0003} sp_31 + sp_30 + sp_29 | +sp_28 + BJ2x2_16 <->{0.0003}{0.1126} sp_32 | +sp_32 <->{0.1126}{0.0003} sp_33 + Species_2 | +sp_33 + BJ2x2_10 <->{0.0003}{0.1126} sp_35 | +sp_35 <->{0.1126}{0.0003} sp_36 + Species_1 | +sp_36 + sp_6 <->{0.0003}{0.1126} sp_37 | +sp_37 <->{0.1126}{0.0003} sp_38 + BJ2x2_11 | +sp_33 + BJ2x2_5 <->{0.0003}{0.1126} sp_34 | +sp_34 <->{0.1126}{0.0003} sp_39 + Species_1 | +sp_39 + sp_6 <->{0.0003}{0.1126} sp_40 | +sp_40 <->{0.1126}{0.0003} sp_41 + BJ2x2_11 | +sp_43 + BJ2x2_10 ->{0.0003} sp_45 + sp_44 | +BJ2x2_8 + sp_42 ->{0.0003} sp_47 + sp_46 | +sp_31 <->{0.1126}{0.0003} sp_43 + sp_42 | +sp_2 + sp_30 <->{0.0003}{0.1126} sp_51 | +sp_51 <->{0.1126}{0.0003} sp_52 + BJ2x2_16 | +sp_18 + sp_30 <->{0.0003}{0.1126} sp_50 | +sp_52 + BJ2x2_11 <->{0.0003}{0.1126} sp_50 | +sp_22 + sp_30 <->{0.0003}{0.1126} sp_49 | +sp_49 <->{0.1126}{0.0003} sp_53 + BJ2x2_11 | +sp_53 + BJ2x2_7 ->{0.0003} sp_54 + sp_30 + sp_29 | +sp_33 + sp_30 <->{0.0003}{0.1126} sp_48 | +sp_53 + BJ2x2_16 <->{0.0003}{0.1126} sp_48 | +sp_55 + BJ2x2_10 ->{0.0003} sp_56 + sp_44 | +sp_54 <->{0.1126}{0.0003} sp_55 + sp_42 | +sp_2 + sp_29 <->{0.0003}{0.1126} sp_60 | +sp_60 <->{0.1126}{0.0003} sp_61 + BJ2x2_16 | +sp_18 + sp_29 <->{0.0003}{0.1126} sp_59 | +sp_61 + BJ2x2_11 <->{0.0003}{0.1126} sp_59 | +sp_22 + sp_29 <->{0.0003}{0.1126} sp_58 | +sp_58 <->{0.1126}{0.0003} sp_62 + BJ2x2_11 | +sp_62 + BJ2x2_7 ->{0.0003} sp_63 + sp_30 + sp_29 | +sp_33 + sp_29 <->{0.0003}{0.1126} sp_57 | +sp_62 + BJ2x2_16 <->{0.0003}{0.1126} sp_57 | +sp_64 + BJ2x2_10 ->{0.0003} sp_65 + sp_44 | +sp_63 <->{0.1126}{0.0003} sp_64 + sp_42 | +sp_12 + Species <->{0.0003}{0.1126} sp_69 | +sp_69 <->{0.1126}{0.0003} sp_70 + BJ2x2_4 | +sp_70 + BJ2x2_17 <->{0.0003}{0.1126} sp_72 | +sp_72 <->{0.1126}{0.0003} sp_73 + Species | +sp_73 + sp_11 <->{0.0003}{0.1126} sp_74 | +sp_74 <->{0.1126}{0.0003} sp_75 + BJ2x2_5 | +sp_70 + Species_1 <->{0.0003}{0.1126} sp_71 | +sp_71 <->{0.1126}{0.0003} sp_76 + BJ2x2_5 | +sp_76 + BJ2x2_1 ->{0.0003} sp_79 + sp_78 + sp_77 | +sp_76 + BJ2x2_10 <->{0.0003}{0.1126} sp_80 | +sp_80 <->{0.1126}{0.0003} sp_81 + Species_1 | +sp_81 + BJ2x2_17 <->{0.0003}{0.1126} sp_83 | +sp_83 <->{0.1126}{0.0003} sp_84 + Species | +sp_84 + sp_11 <->{0.0003}{0.1126} sp_85 | +sp_85 <->{0.1126}{0.0003} sp_86 + BJ2x2_5 | +sp_81 + BJ2x2_4 <->{0.0003}{0.1126} sp_82 | +sp_82 <->{0.1126}{0.0003} sp_87 + Species | +sp_87 + sp_11 <->{0.0003}{0.1126} sp_88 | +sp_88 <->{0.1126}{0.0003} sp_89 + BJ2x2_5 | +sp_91 + BJ2x2_4 ->{0.0003} sp_93 + sp_92 | +BJ2x2_2 + sp_90 ->{0.0003} sp_95 + sp_94 | +sp_79 <->{0.1126}{0.0003} sp_91 + sp_90 | +sp_7 + sp_78 <->{0.0003}{0.1126} sp_101 | +sp_101 <->{0.1126}{0.0003} sp_102 + BJ2x2_10 | +sp_25 + sp_78 <->{0.0003}{0.1126} sp_100 | +sp_102 + BJ2x2_5 <->{0.0003}{0.1126} sp_100 | +sp_102 + Species_2 <->{0.0003}{0.1126} sp_105 | +sp_105 <->{0.1126}{0.0003} sp_106 + BJ2x2_11 | +sp_106 + BJ2x2_7 ->{0.0003} sp_107 + sp_30 + sp_29 | +sp_106 + BJ2x2_16 <->{0.0003}{0.1126} sp_108 | +sp_108 <->{0.1126}{0.0003} sp_109 + Species_2 | +sp_36 + sp_78 <->{0.0003}{0.1126} sp_99 | +sp_109 + BJ2x2_10 <->{0.0003}{0.1126} sp_99 | +sp_39 + sp_78 <->{0.0003}{0.1126} sp_98 | +sp_109 + BJ2x2_5 <->{0.0003}{0.1126} sp_98 | +sp_109 + sp_30 <->{0.0003}{0.1126} sp_111 | +sp_111 <->{0.1126}{0.0003} sp_112 + BJ2x2_16 | +sp_112 + BJ2x2_7 ->{0.0003} sp_113 + sp_30 + sp_29 | +sp_102 + sp_30 <->{0.0003}{0.1126} sp_104 | +sp_112 + BJ2x2_11 <->{0.0003}{0.1126} sp_104 | +sp_114 + BJ2x2_10 ->{0.0003} sp_115 + sp_44 | +sp_113 <->{0.1126}{0.0003} sp_114 + sp_42 | +sp_109 + sp_29 <->{0.0003}{0.1126} sp_110 | +sp_110 <->{0.1126}{0.0003} sp_116 + BJ2x2_16 | +sp_116 + BJ2x2_7 ->{0.0003} sp_117 + sp_30 + sp_29 | +sp_102 + sp_29 <->{0.0003}{0.1126} sp_103 | +sp_116 + BJ2x2_11 <->{0.0003}{0.1126} sp_103 | +sp_118 + BJ2x2_10 ->{0.0003} sp_119 + sp_44 | +sp_117 <->{0.1126}{0.0003} sp_118 + sp_42 | +sp_120 + BJ2x2_10 ->{0.0003} sp_121 + sp_44 | +sp_107 <->{0.1126}{0.0003} sp_120 + sp_42 | +sp_70 + sp_78 <->{0.0003}{0.1126} sp_97 | +sp_97 <->{0.1126}{0.0003} sp_122 + BJ2x2_5 | +sp_122 + BJ2x2_1 ->{0.0003} sp_123 + sp_78 + sp_77 | +sp_81 + sp_78 <->{0.0003}{0.1126} sp_96 | +sp_122 + BJ2x2_10 <->{0.0003}{0.1126} sp_96 | +sp_124 + BJ2x2_4 ->{0.0003} sp_125 + sp_92 | +sp_123 <->{0.1126}{0.0003} sp_124 + sp_90 | +sp_7 + sp_77 <->{0.0003}{0.1126} sp_131 | +sp_131 <->{0.1126}{0.0003} sp_132 + BJ2x2_10 | +sp_25 + sp_77 <->{0.0003}{0.1126} sp_130 | +sp_132 + BJ2x2_5 <->{0.0003}{0.1126} sp_130 | +sp_132 + Species_2 <->{0.0003}{0.1126} sp_135 | +sp_135 <->{0.1126}{0.0003} sp_136 + BJ2x2_11 | +sp_136 + BJ2x2_7 ->{0.0003} sp_137 + sp_30 + sp_29 | +sp_136 + BJ2x2_16 <->{0.0003}{0.1126} sp_138 | +sp_138 <->{0.1126}{0.0003} sp_139 + Species_2 | +sp_36 + sp_77 <->{0.0003}{0.1126} sp_129 | +sp_139 + BJ2x2_10 <->{0.0003}{0.1126} sp_129 | +sp_39 + sp_77 <->{0.0003}{0.1126} sp_128 | +sp_139 + BJ2x2_5 <->{0.0003}{0.1126} sp_128 | +sp_139 + sp_30 <->{0.0003}{0.1126} sp_141 | +sp_141 <->{0.1126}{0.0003} sp_142 + BJ2x2_16 | +sp_142 + BJ2x2_7 ->{0.0003} sp_143 + sp_30 + sp_29 | +sp_132 + sp_30 <->{0.0003}{0.1126} sp_134 | +sp_142 + BJ2x2_11 <->{0.0003}{0.1126} sp_134 | +sp_144 + BJ2x2_10 ->{0.0003} sp_145 + sp_44 | +sp_143 <->{0.1126}{0.0003} sp_144 + sp_42 | +sp_139 + sp_29 <->{0.0003}{0.1126} sp_140 | +sp_140 <->{0.1126}{0.0003} sp_146 + BJ2x2_16 | +sp_146 + BJ2x2_7 ->{0.0003} sp_147 + sp_30 + sp_29 | +sp_132 + sp_29 <->{0.0003}{0.1126} sp_133 | +sp_146 + BJ2x2_11 <->{0.0003}{0.1126} sp_133 | +sp_148 + BJ2x2_10 ->{0.0003} sp_149 + sp_44 | +sp_147 <->{0.1126}{0.0003} sp_148 + sp_42 | +sp_150 + BJ2x2_10 ->{0.0003} sp_151 + sp_44 | +sp_137 <->{0.1126}{0.0003} sp_150 + sp_42 | +sp_70 + sp_77 <->{0.0003}{0.1126} sp_127 | +sp_127 <->{0.1126}{0.0003} sp_152 + BJ2x2_5 | +sp_152 + BJ2x2_1 ->{0.0003} sp_153 + sp_78 + sp_77 | +sp_81 + sp_77 <->{0.0003}{0.1126} sp_126 | +sp_152 + BJ2x2_10 <->{0.0003}{0.1126} sp_126 | +sp_154 + BJ2x2_4 ->{0.0003} sp_155 + sp_92 | +sp_153 <->{0.1126}{0.0003} sp_154 + sp_90 | +sp_16 + Species <->{0.0003}{0.1126} sp_68 | +sp_68 <->{0.1126}{0.0003} sp_156 + BJ2x2_17 | +sp_156 + BJ2x2_13 ->{0.0003} sp_160 + sp_159 + sp_158 | +sp_162 + BJ2x2_16 ->{0.0003} sp_164 + sp_163 | +BJ2x2_14 + sp_161 ->{0.0003} sp_166 + sp_165 | +sp_160 <->{0.1126}{0.0003} sp_162 + sp_161 | +sp_12 + sp_159 <->{0.0003}{0.1126} sp_173 | +sp_173 <->{0.1126}{0.0003} sp_174 + BJ2x2_4 | +sp_73 + sp_159 <->{0.0003}{0.1126} sp_169 | +sp_174 + BJ2x2_17 <->{0.0003}{0.1126} sp_169 | +sp_174 + Species_1 <->{0.0003}{0.1126} sp_177 | +sp_177 <->{0.1126}{0.0003} sp_178 + BJ2x2_5 | +sp_178 + BJ2x2_1 ->{0.0003} sp_179 + sp_78 + sp_77 | +sp_178 + BJ2x2_10 <->{0.0003}{0.1126} sp_180 | +sp_180 <->{0.1126}{0.0003} sp_181 + Species_1 | +sp_84 + sp_159 <->{0.0003}{0.1126} sp_168 | +sp_181 + BJ2x2_17 <->{0.0003}{0.1126} sp_168 | +sp_87 + sp_159 <->{0.0003}{0.1126} sp_167 | +sp_181 + BJ2x2_4 <->{0.0003}{0.1126} sp_167 | +sp_181 + sp_78 <->{0.0003}{0.1126} sp_183 | +sp_183 <->{0.1126}{0.0003} sp_184 + BJ2x2_10 | +sp_184 + BJ2x2_1 ->{0.0003} sp_185 + sp_78 + sp_77 | +sp_174 + sp_78 <->{0.0003}{0.1126} sp_176 | +sp_184 + BJ2x2_5 <->{0.0003}{0.1126} sp_176 | +sp_186 + BJ2x2_4 ->{0.0003} sp_187 + sp_92 | +sp_185 <->{0.1126}{0.0003} sp_186 + sp_90 | +sp_181 + sp_77 <->{0.0003}{0.1126} sp_182 | +sp_182 <->{0.1126}{0.0003} sp_188 + BJ2x2_10 | +sp_188 + BJ2x2_1 ->{0.0003} sp_189 + sp_78 + sp_77 | +sp_174 + sp_77 <->{0.0003}{0.1126} sp_175 | +sp_188 + BJ2x2_5 <->{0.0003}{0.1126} sp_175 | +sp_190 + BJ2x2_4 ->{0.0003} sp_191 + sp_92 | +sp_189 <->{0.1126}{0.0003} sp_190 + sp_90 | +sp_192 + BJ2x2_4 ->{0.0003} sp_193 + sp_92 | +sp_179 <->{0.1126}{0.0003} sp_192 + sp_90 | +sp_16 + sp_159 <->{0.0003}{0.1126} sp_172 | +sp_172 <->{0.1126}{0.0003} sp_194 + BJ2x2_17 | +sp_194 + BJ2x2_13 ->{0.0003} sp_196 + sp_159 + sp_158 | +sp_197 + BJ2x2_16 ->{0.0003} sp_198 + sp_163 | +sp_196 <->{0.1126}{0.0003} sp_197 + sp_161 | +sp_12 + sp_158 <->{0.0003}{0.1126} sp_205 | +sp_205 <->{0.1126}{0.0003} sp_206 + BJ2x2_4 | +sp_73 + sp_158 <->{0.0003}{0.1126} sp_201 | +sp_206 + BJ2x2_17 <->{0.0003}{0.1126} sp_201 | +sp_206 + Species_1 <->{0.0003}{0.1126} sp_209 | +sp_209 <->{0.1126}{0.0003} sp_210 + BJ2x2_5 | +sp_210 + BJ2x2_1 ->{0.0003} sp_211 + sp_78 + sp_77 | +sp_210 + BJ2x2_10 <->{0.0003}{0.1126} sp_212 | +sp_212 <->{0.1126}{0.0003} sp_213 + Species_1 | +sp_84 + sp_158 <->{0.0003}{0.1126} sp_200 | +sp_213 + BJ2x2_17 <->{0.0003}{0.1126} sp_200 | +sp_87 + sp_158 <->{0.0003}{0.1126} sp_199 | +sp_213 + BJ2x2_4 <->{0.0003}{0.1126} sp_199 | +sp_213 + sp_78 <->{0.0003}{0.1126} sp_215 | +sp_215 <->{0.1126}{0.0003} sp_216 + BJ2x2_10 | +sp_216 + BJ2x2_1 ->{0.0003} sp_217 + sp_78 + sp_77 | +sp_206 + sp_78 <->{0.0003}{0.1126} sp_208 | +sp_216 + BJ2x2_5 <->{0.0003}{0.1126} sp_208 | +sp_218 + BJ2x2_4 ->{0.0003} sp_219 + sp_92 | +sp_217 <->{0.1126}{0.0003} sp_218 + sp_90 | +sp_213 + sp_77 <->{0.0003}{0.1126} sp_214 | +sp_214 <->{0.1126}{0.0003} sp_220 + BJ2x2_10 | +sp_220 + BJ2x2_1 ->{0.0003} sp_221 + sp_78 + sp_77 | +sp_206 + sp_77 <->{0.0003}{0.1126} sp_207 | +sp_220 + BJ2x2_5 <->{0.0003}{0.1126} sp_207 | +sp_222 + BJ2x2_4 ->{0.0003} sp_223 + sp_92 | +sp_221 <->{0.1126}{0.0003} sp_222 + sp_90 | +sp_224 + BJ2x2_4 ->{0.0003} sp_225 + sp_92 | +sp_211 <->{0.1126}{0.0003} sp_224 + sp_90 | +sp_16 + sp_158 <->{0.0003}{0.1126} sp_204 | +sp_204 <->{0.1126}{0.0003} sp_226 + BJ2x2_17 | +sp_226 + BJ2x2_13 ->{0.0003} sp_228 + sp_159 + sp_158 | +sp_229 + BJ2x2_16 ->{0.0003} sp_230 + sp_163 | +sp_228 <->{0.1126}{0.0003} sp_229 + sp_161 | +sp_226 + BJ2x2_4 <->{0.0003}{0.1126} sp_227 | +sp_227 <->{0.1126}{0.0003} sp_231 + sp_158 | +sp_231 + BJ2x2_16 <->{0.0003}{0.1126} sp_233 | +sp_233 <->{0.1126}{0.0003} sp_234 + Species_2 | +sp_234 + sp_1 <->{0.0003}{0.1126} sp_237 | +sp_237 <->{0.1126}{0.0003} sp_238 + BJ2x2_17 | +sp_234 + sp_30 <->{0.0003}{0.1126} sp_236 | +sp_236 <->{0.1126}{0.0003} sp_239 + BJ2x2_16 | +sp_239 + BJ2x2_11 <->{0.0003}{0.1126} sp_243 | +sp_243 <->{0.1126}{0.0003} sp_244 + sp_30 | +sp_244 + sp_1 <->{0.0003}{0.1126} sp_246 | +sp_246 <->{0.1126}{0.0003} sp_247 + BJ2x2_17 | +sp_244 + Species_2 <->{0.0003}{0.1126} sp_232 | +sp_231 + BJ2x2_11 <->{0.0003}{0.1126} sp_232 | +sp_244 + sp_29 <->{0.0003}{0.1126} sp_245 | +sp_245 <->{0.1126}{0.0003} sp_248 + BJ2x2_11 | +sp_234 + sp_29 <->{0.0003}{0.1126} sp_235 | +sp_248 + BJ2x2_16 <->{0.0003}{0.1126} sp_235 | +sp_248 + Species <->{0.0003}{0.1126} sp_251 | +sp_252 + BJ2x2_13 ->{0.0003} sp_253 + sp_159 + sp_158 | +sp_251 <->{0.1126}{0.0003} sp_252 + BJ2x2_4 | +sp_61 + Species <->{0.0003}{0.1126} sp_66 | +sp_252 + BJ2x2_17 <->{0.0003}{0.1126} sp_66 | +sp_254 + BJ2x2_16 ->{0.0003} sp_255 + sp_163 | +sp_253 <->{0.1126}{0.0003} sp_254 + sp_161 | +sp_248 + sp_159 <->{0.0003}{0.1126} sp_250 | +sp_256 + BJ2x2_13 ->{0.0003} sp_257 + sp_159 + sp_158 | +sp_250 <->{0.1126}{0.0003} sp_256 + BJ2x2_4 | +sp_61 + sp_159 <->{0.0003}{0.1126} sp_170 | +sp_256 + BJ2x2_17 <->{0.0003}{0.1126} sp_170 | +sp_258 + BJ2x2_16 ->{0.0003} sp_259 + sp_163 | +sp_257 <->{0.1126}{0.0003} sp_258 + sp_161 | +sp_248 + sp_158 <->{0.0003}{0.1126} sp_249 | +sp_260 + BJ2x2_13 ->{0.0003} sp_261 + sp_159 + sp_158 | +sp_249 <->{0.1126}{0.0003} sp_260 + BJ2x2_4 | +sp_61 + sp_158 <->{0.0003}{0.1126} sp_202 | +sp_260 + BJ2x2_17 <->{0.0003}{0.1126} sp_202 | +sp_262 + BJ2x2_16 ->{0.0003} sp_263 + sp_163 | +sp_261 <->{0.1126}{0.0003} sp_262 + sp_161 | +sp_239 + Species <->{0.0003}{0.1126} sp_242 | +sp_264 + BJ2x2_13 ->{0.0003} sp_265 + sp_159 + sp_158 | +sp_242 <->{0.1126}{0.0003} sp_264 + BJ2x2_4 | +sp_52 + Species <->{0.0003}{0.1126} sp_67 | +sp_264 + BJ2x2_17 <->{0.0003}{0.1126} sp_67 | +sp_266 + BJ2x2_16 ->{0.0003} sp_267 + sp_163 | +sp_265 <->{0.1126}{0.0003} sp_266 + sp_161 | +sp_239 + sp_159 <->{0.0003}{0.1126} sp_241 | +sp_268 + BJ2x2_13 ->{0.0003} sp_269 + sp_159 + sp_158 | +sp_241 <->{0.1126}{0.0003} sp_268 + BJ2x2_4 | +sp_52 + sp_159 <->{0.0003}{0.1126} sp_171 | +sp_268 + BJ2x2_17 <->{0.0003}{0.1126} sp_171 | +sp_270 + BJ2x2_16 ->{0.0003} sp_271 + sp_163 | +sp_269 <->{0.1126}{0.0003} sp_270 + sp_161 | +sp_239 + sp_158 <->{0.0003}{0.1126} sp_240 | +sp_272 + BJ2x2_13 ->{0.0003} sp_273 + sp_159 + sp_158 | +sp_240 <->{0.1126}{0.0003} sp_272 + BJ2x2_4 | +sp_52 + sp_158 <->{0.0003}{0.1126} sp_203 | +sp_272 + BJ2x2_17 <->{0.0003}{0.1126} sp_203 | +sp_274 + BJ2x2_16 ->{0.0003} sp_275 + sp_163 | +sp_273 <->{0.1126}{0.0003} sp_274 + sp_161 | +sp_231 + Species <->{0.0003}{0.1126} sp_157 | +sp_156 + BJ2x2_4 <->{0.0003}{0.1126} sp_157 | +sp_231 + sp_159 <->{0.0003}{0.1126} sp_195 | +sp_194 + BJ2x2_4 <->{0.0003}{0.1126} sp_195 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Join gates.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Join gates.crn new file mode 100644 index 0000000..e1c85f9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Join gates.crn @@ -0,0 +1,27 @@ +directive sample 0.0,2000000.0 1000 +directive plot sum(Species); sum(Species_1); sum(sp_10); sum(sp_9); BJ2x2_5 +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init BJ2x2_5 1.0 | +init BJ2x2_4 10.0 | +init BJ2x2_3 1000.0 | +init BJ2x2_2 1000.0 | +init BJ2x2_1 1000.0 | +init BJ2x2 1000.0 | +init Species_1 1.0 | +init Species 1.0 | +BJ2x2 + BJ2x2_5 <->{0.0003}{0.1126} sp_0 | +BJ2x2_3 + sp_1 ->{0.0003} sp_4 + sp_3 | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 | +sp_2 + Species <->{0.0003}{0.1126} sp_5 | +sp_5 <->{0.1126}{0.0003} sp_6 + BJ2x2_4 | +sp_6 + Species_1 <->{0.0003}{0.1126} sp_7 | +sp_7 <->{0.1126}{0.0003} sp_8 + BJ2x2_5 | +sp_8 + BJ2x2_1 ->{0.0003} sp_11 + sp_10 + sp_9 | +sp_13 + BJ2x2_4 ->{0.0003} sp_15 + sp_14 | +BJ2x2_2 + sp_12 ->{0.0003} sp_17 + sp_16 | +sp_11 <->{0.1126}{0.0003} sp_13 + sp_12 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Unbuffered oscillators.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Unbuffered oscillators.crn new file mode 100644 index 0000000..70c2b0f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin et al., Interface 2012 - Unbuffered oscillators.crn @@ -0,0 +1,229 @@ +directive sample 0.0,5000000.0 5000 +directive plot sum(Species;sp_97;sp_96); sum(Species_1;sp_39;sp_38); sum(Species_2;sp_8;sp_7) +directive reltolerance 0.0001 +directive scale 100.0 +directive simulation deterministicstiff +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init J2x2_NoGC_8 1000.0 | +init J2x2_NoGC_7 1000.0 | +init J2x2_NoGC_6 100.0 | +init J2x2_NoGC_5 1000.0 | +init J2x2_NoGC_4 1000.0 | +init J2x2_NoGC_3 100.0 | +init J2x2_NoGC_2 1000.0 | +init J2x2_NoGC_1 1000.0 | +init J2x2_NoGC 100.0 | +init Species_2 2.0 | +init Species_1 4.0 | +init Species 2.0 | +J2x2_NoGC_6 + Species_2 <->{0.0003}{0.1126} sp_0 | +sp_0 <->{0.1126}{0.0003} sp_1 + J2x2_NoGC_8 | +J2x2_NoGC_3 + Species_1 <->{0.0003}{0.1126} sp_2 | +sp_2 <->{0.1126}{0.0003} sp_3 + J2x2_NoGC_5 | +sp_3 + Species_2 <->{0.0003}{0.1126} sp_4 | +sp_6 + J2x2_NoGC_4 ->{0.0003} sp_9 + sp_8 + sp_7 | +sp_6 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_10 | +sp_10 <->{0.1126}{0.0003} sp_11 + Species_2 | +sp_11 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_12 | +sp_12 <->{0.1126}{0.0003} sp_13 + Species_1 | +J2x2_NoGC_6 + sp_8 <->{0.0003}{0.1126} sp_16 | +sp_16 <->{0.1126}{0.0003} sp_17 + J2x2_NoGC_8 | +sp_3 + sp_8 <->{0.0003}{0.1126} sp_15 | +sp_18 + J2x2_NoGC_4 ->{0.0003} sp_19 + sp_8 + sp_7 | +sp_11 + sp_8 <->{0.0003}{0.1126} sp_14 | +sp_18 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_14 | +J2x2_NoGC_6 + sp_7 <->{0.0003}{0.1126} sp_22 | +sp_22 <->{0.1126}{0.0003} sp_23 + J2x2_NoGC_8 | +sp_3 + sp_7 <->{0.0003}{0.1126} sp_21 | +sp_24 + J2x2_NoGC_4 ->{0.0003} sp_25 + sp_8 + sp_7 | +sp_11 + sp_7 <->{0.0003}{0.1126} sp_20 | +sp_24 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_20 | +sp_4 <->{0.1126}{0.0003} sp_6 + sp_5 | +sp_15 <->{0.1126}{0.0003} sp_18 + sp_5 | +sp_21 <->{0.1126}{0.0003} sp_24 + sp_5 | +sp_1 + sp_5 <->{0.0003}{0.1126} sp_28 | +sp_28 <->{0.1126}{0.0003} sp_29 + Species_2 | +sp_29 + sp_8 <->{0.0003}{0.1126} sp_27 | +sp_17 + sp_5 <->{0.0003}{0.1126} sp_27 | +sp_29 + sp_7 <->{0.0003}{0.1126} sp_26 | +sp_23 + sp_5 <->{0.0003}{0.1126} sp_26 | +J2x2_NoGC + Species <->{0.0003}{0.1126} sp_33 | +sp_33 <->{0.1126}{0.0003} sp_34 + J2x2_NoGC_2 | +sp_34 + Species_1 <->{0.0003}{0.1126} sp_35 | +sp_37 + J2x2_NoGC_1 ->{0.0003} sp_40 + sp_39 + sp_38 | +sp_37 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_41 | +sp_41 <->{0.1126}{0.0003} sp_42 + Species_1 | +sp_42 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_43 | +sp_43 <->{0.1126}{0.0003} sp_44 + Species | +J2x2_NoGC_3 + sp_39 <->{0.0003}{0.1126} sp_48 | +sp_48 <->{0.1126}{0.0003} sp_49 + J2x2_NoGC_5 | +sp_49 + Species_2 <->{0.0003}{0.1126} sp_52 | +sp_53 + J2x2_NoGC_4 ->{0.0003} sp_54 + sp_8 + sp_7 | +sp_52 <->{0.1126}{0.0003} sp_53 + sp_5 | +sp_53 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_55 | +sp_55 <->{0.1126}{0.0003} sp_56 + Species_2 | +sp_13 + sp_39 <->{0.0003}{0.1126} sp_47 | +sp_56 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_47 | +sp_56 + sp_8 <->{0.0003}{0.1126} sp_58 | +sp_58 <->{0.1126}{0.0003} sp_59 + J2x2_NoGC_8 | +sp_59 + J2x2_NoGC_4 ->{0.0003} sp_60 + sp_8 + sp_7 | +sp_49 + sp_8 <->{0.0003}{0.1126} sp_51 | +sp_59 + sp_5 <->{0.0003}{0.1126} sp_51 | +sp_56 + sp_7 <->{0.0003}{0.1126} sp_57 | +sp_57 <->{0.1126}{0.0003} sp_61 + J2x2_NoGC_8 | +sp_61 + J2x2_NoGC_4 ->{0.0003} sp_62 + sp_8 + sp_7 | +sp_49 + sp_7 <->{0.0003}{0.1126} sp_50 | +sp_61 + sp_5 <->{0.0003}{0.1126} sp_50 | +sp_34 + sp_39 <->{0.0003}{0.1126} sp_46 | +sp_63 + J2x2_NoGC_1 ->{0.0003} sp_64 + sp_39 + sp_38 | +sp_42 + sp_39 <->{0.0003}{0.1126} sp_45 | +sp_63 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_45 | +J2x2_NoGC_3 + sp_38 <->{0.0003}{0.1126} sp_68 | +sp_68 <->{0.1126}{0.0003} sp_69 + J2x2_NoGC_5 | +sp_69 + Species_2 <->{0.0003}{0.1126} sp_72 | +sp_73 + J2x2_NoGC_4 ->{0.0003} sp_74 + sp_8 + sp_7 | +sp_72 <->{0.1126}{0.0003} sp_73 + sp_5 | +sp_73 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_75 | +sp_75 <->{0.1126}{0.0003} sp_76 + Species_2 | +sp_13 + sp_38 <->{0.0003}{0.1126} sp_67 | +sp_76 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_67 | +sp_76 + sp_8 <->{0.0003}{0.1126} sp_78 | +sp_78 <->{0.1126}{0.0003} sp_79 + J2x2_NoGC_8 | +sp_79 + J2x2_NoGC_4 ->{0.0003} sp_80 + sp_8 + sp_7 | +sp_69 + sp_8 <->{0.0003}{0.1126} sp_71 | +sp_79 + sp_5 <->{0.0003}{0.1126} sp_71 | +sp_76 + sp_7 <->{0.0003}{0.1126} sp_77 | +sp_77 <->{0.1126}{0.0003} sp_81 + J2x2_NoGC_8 | +sp_81 + J2x2_NoGC_4 ->{0.0003} sp_82 + sp_8 + sp_7 | +sp_69 + sp_7 <->{0.0003}{0.1126} sp_70 | +sp_81 + sp_5 <->{0.0003}{0.1126} sp_70 | +sp_34 + sp_38 <->{0.0003}{0.1126} sp_66 | +sp_83 + J2x2_NoGC_1 ->{0.0003} sp_84 + sp_39 + sp_38 | +sp_42 + sp_38 <->{0.0003}{0.1126} sp_65 | +sp_83 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_65 | +sp_35 <->{0.1126}{0.0003} sp_37 + sp_36 | +sp_46 <->{0.1126}{0.0003} sp_63 + sp_36 | +sp_66 <->{0.1126}{0.0003} sp_83 + sp_36 | +sp_3 + sp_36 <->{0.0003}{0.1126} sp_90 | +sp_90 <->{0.1126}{0.0003} sp_91 + Species_1 | +sp_91 + sp_39 <->{0.0003}{0.1126} sp_88 | +sp_49 + sp_36 <->{0.0003}{0.1126} sp_88 | +sp_91 + sp_38 <->{0.0003}{0.1126} sp_86 | +sp_69 + sp_36 <->{0.0003}{0.1126} sp_86 | +sp_11 + sp_36 <->{0.0003}{0.1126} sp_89 | +sp_89 <->{0.1126}{0.0003} sp_92 + Species_1 | +sp_92 + sp_39 <->{0.0003}{0.1126} sp_87 | +sp_56 + sp_36 <->{0.0003}{0.1126} sp_87 | +sp_92 + sp_38 <->{0.0003}{0.1126} sp_85 | +sp_76 + sp_36 <->{0.0003}{0.1126} sp_85 | +sp_1 + Species <->{0.0003}{0.1126} sp_32 | +sp_94 + J2x2_NoGC_7 ->{0.0003} sp_98 + sp_97 + sp_96 | +J2x2_NoGC + sp_97 <->{0.0003}{0.1126} sp_103 | +sp_103 <->{0.1126}{0.0003} sp_104 + J2x2_NoGC_2 | +sp_104 + Species_1 <->{0.0003}{0.1126} sp_107 | +sp_108 + J2x2_NoGC_1 ->{0.0003} sp_109 + sp_39 + sp_38 | +sp_107 <->{0.1126}{0.0003} sp_108 + sp_36 | +sp_108 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_110 | +sp_110 <->{0.1126}{0.0003} sp_111 + Species_1 | +sp_44 + sp_97 <->{0.0003}{0.1126} sp_99 | +sp_111 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_99 | +sp_111 + sp_39 <->{0.0003}{0.1126} sp_113 | +sp_113 <->{0.1126}{0.0003} sp_114 + J2x2_NoGC_5 | +sp_114 + J2x2_NoGC_1 ->{0.0003} sp_115 + sp_39 + sp_38 | +sp_104 + sp_39 <->{0.0003}{0.1126} sp_106 | +sp_114 + sp_36 <->{0.0003}{0.1126} sp_106 | +sp_111 + sp_38 <->{0.0003}{0.1126} sp_112 | +sp_112 <->{0.1126}{0.0003} sp_116 + J2x2_NoGC_5 | +sp_116 + J2x2_NoGC_1 ->{0.0003} sp_117 + sp_39 + sp_38 | +sp_104 + sp_38 <->{0.0003}{0.1126} sp_105 | +sp_116 + sp_36 <->{0.0003}{0.1126} sp_105 | +sp_1 + sp_97 <->{0.0003}{0.1126} sp_102 | +sp_118 + J2x2_NoGC_7 ->{0.0003} sp_120 + sp_97 + sp_96 | +J2x2_NoGC + sp_96 <->{0.0003}{0.1126} sp_125 | +sp_125 <->{0.1126}{0.0003} sp_126 + J2x2_NoGC_2 | +sp_126 + Species_1 <->{0.0003}{0.1126} sp_129 | +sp_130 + J2x2_NoGC_1 ->{0.0003} sp_131 + sp_39 + sp_38 | +sp_129 <->{0.1126}{0.0003} sp_130 + sp_36 | +sp_130 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_132 | +sp_132 <->{0.1126}{0.0003} sp_133 + Species_1 | +sp_44 + sp_96 <->{0.0003}{0.1126} sp_121 | +sp_133 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_121 | +sp_133 + sp_39 <->{0.0003}{0.1126} sp_135 | +sp_135 <->{0.1126}{0.0003} sp_136 + J2x2_NoGC_5 | +sp_136 + J2x2_NoGC_1 ->{0.0003} sp_137 + sp_39 + sp_38 | +sp_126 + sp_39 <->{0.0003}{0.1126} sp_128 | +sp_136 + sp_36 <->{0.0003}{0.1126} sp_128 | +sp_133 + sp_38 <->{0.0003}{0.1126} sp_134 | +sp_134 <->{0.1126}{0.0003} sp_138 + J2x2_NoGC_5 | +sp_138 + J2x2_NoGC_1 ->{0.0003} sp_139 + sp_39 + sp_38 | +sp_126 + sp_38 <->{0.0003}{0.1126} sp_127 | +sp_138 + sp_36 <->{0.0003}{0.1126} sp_127 | +sp_1 + sp_96 <->{0.0003}{0.1126} sp_124 | +sp_140 + J2x2_NoGC_7 ->{0.0003} sp_142 + sp_97 + sp_96 | +sp_140 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_141 | +sp_141 <->{0.1126}{0.0003} sp_143 + sp_96 | +sp_143 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_145 | +sp_145 <->{0.1126}{0.0003} sp_146 + Species_2 | +sp_146 + sp_8 <->{0.0003}{0.1126} sp_148 | +sp_148 <->{0.1126}{0.0003} sp_149 + J2x2_NoGC_8 | +sp_149 + sp_5 <->{0.0003}{0.1126} sp_153 | +sp_153 <->{0.1126}{0.0003} sp_154 + sp_8 | +sp_154 + Species_2 <->{0.0003}{0.1126} sp_144 | +sp_143 + sp_5 <->{0.0003}{0.1126} sp_144 | +sp_154 + sp_7 <->{0.0003}{0.1126} sp_155 | +sp_155 <->{0.1126}{0.0003} sp_156 + sp_5 | +sp_146 + sp_7 <->{0.0003}{0.1126} sp_147 | +sp_156 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_147 | +sp_156 + Species <->{0.0003}{0.1126} sp_159 | +sp_160 + J2x2_NoGC_7 ->{0.0003} sp_161 + sp_97 + sp_96 | +sp_159 <->{0.1126}{0.0003} sp_160 + J2x2_NoGC_2 | +sp_156 + sp_97 <->{0.0003}{0.1126} sp_158 | +sp_162 + J2x2_NoGC_7 ->{0.0003} sp_163 + sp_97 + sp_96 | +sp_158 <->{0.1126}{0.0003} sp_162 + J2x2_NoGC_2 | +sp_156 + sp_96 <->{0.0003}{0.1126} sp_157 | +sp_164 + J2x2_NoGC_7 ->{0.0003} sp_165 + sp_97 + sp_96 | +sp_157 <->{0.1126}{0.0003} sp_164 + J2x2_NoGC_2 | +sp_149 + Species <->{0.0003}{0.1126} sp_152 | +sp_166 + J2x2_NoGC_7 ->{0.0003} sp_167 + sp_97 + sp_96 | +sp_152 <->{0.1126}{0.0003} sp_166 + J2x2_NoGC_2 | +sp_149 + sp_97 <->{0.0003}{0.1126} sp_151 | +sp_168 + J2x2_NoGC_7 ->{0.0003} sp_169 + sp_97 + sp_96 | +sp_151 <->{0.1126}{0.0003} sp_168 + J2x2_NoGC_2 | +sp_149 + sp_96 <->{0.0003}{0.1126} sp_150 | +sp_170 + J2x2_NoGC_7 ->{0.0003} sp_171 + sp_97 + sp_96 | +sp_150 <->{0.1126}{0.0003} sp_170 + J2x2_NoGC_2 | +sp_143 + Species <->{0.0003}{0.1126} sp_95 | +sp_94 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_95 | +sp_143 + sp_97 <->{0.0003}{0.1126} sp_119 | +sp_118 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_119 | +sp_32 <->{0.1126}{0.0003} sp_94 + sp_93 | +sp_102 <->{0.1126}{0.0003} sp_118 + sp_93 | +sp_124 <->{0.1126}{0.0003} sp_140 + sp_93 | +sp_34 + sp_93 <->{0.0003}{0.1126} sp_177 | +sp_177 <->{0.1126}{0.0003} sp_178 + Species | +sp_178 + sp_97 <->{0.0003}{0.1126} sp_175 | +sp_104 + sp_93 <->{0.0003}{0.1126} sp_175 | +sp_178 + sp_96 <->{0.0003}{0.1126} sp_173 | +sp_126 + sp_93 <->{0.0003}{0.1126} sp_173 | +sp_42 + sp_93 <->{0.0003}{0.1126} sp_176 | +sp_176 <->{0.1126}{0.0003} sp_179 + Species | +sp_179 + sp_97 <->{0.0003}{0.1126} sp_174 | +sp_111 + sp_93 <->{0.0003}{0.1126} sp_174 | +sp_179 + sp_96 <->{0.0003}{0.1126} sp_172 | +sp_133 + sp_93 <->{0.0003}{0.1126} sp_172 | +sp_23 + Species <->{0.0003}{0.1126} sp_30 | +sp_160 + sp_93 <->{0.0003}{0.1126} sp_30 | +sp_23 + sp_97 <->{0.0003}{0.1126} sp_100 | +sp_162 + sp_93 <->{0.0003}{0.1126} sp_100 | +sp_23 + sp_96 <->{0.0003}{0.1126} sp_122 | +sp_164 + sp_93 <->{0.0003}{0.1126} sp_122 | +sp_17 + Species <->{0.0003}{0.1126} sp_31 | +sp_166 + sp_93 <->{0.0003}{0.1126} sp_31 | +sp_17 + sp_97 <->{0.0003}{0.1126} sp_101 | +sp_168 + sp_93 <->{0.0003}{0.1126} sp_101 | +sp_17 + sp_96 <->{0.0003}{0.1126} sp_123 | +sp_170 + sp_93 <->{0.0003}{0.1126} sp_123 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Lakin, Parker et al., Interface 2012 - Model-checking examples.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin, Parker et al., Interface 2012 - Model-checking examples.crn new file mode 100644 index 0000000..6a74a2b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Lakin, Parker et al., Interface 2012 - Model-checking examples.crn @@ -0,0 +1,27 @@ +directive sample 0.0,300000.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init S 1.0 | +init T_7 1.0 | +init T_6 1.0 | +init T_5 1.0 | +init T_4 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + S <->{0.001}{0.001} sp_1 + sp_0 | +sp_1 + T ->{0.001} sp_4 + sp_3 + sp_2 | +sp_7 + T_5 ->{0.001} sp_10 + sp_9 + sp_8 | +sp_4 + sp_5 ->{0.001} sp_12 + sp_11 | +T_7 + sp_2 <->{0.001}{0.001} sp_7 + sp_5 | +sp_6 + T_1 ->{0.001} sp_14 + sp_3 + sp_13 | +T_3 + sp_2 <->{0.001}{0.001} sp_6 + sp_5 | +sp_14 + sp_0 ->{0.001} sp_16 + sp_15 | +sp_18 + T_4 ->{0.001} sp_19 + sp_9 + sp_2 | +sp_19 + sp_5 ->{0.001} sp_20 + sp_11 | +sp_10 + sp_17 ->{0.001} sp_22 + sp_21 | +T_6 + sp_13 <->{0.001}{0.001} sp_18 + sp_17 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Localization - AND gate with nicks.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - AND gate with nicks.crn new file mode 100644 index 0000000..e95a673 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - AND gate with nicks.crn @@ -0,0 +1,24 @@ +directive sample 0.0,18000.0 1000 +directive plot sp_3 +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 + ; c = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init AND 1.0 | +init REPORTER 1.0 | +init STRAND_1 in2 | +init STRAND in1 | +AND + STRAND_1 ->{(1E-09 * c)} sp_2 + sp_1 + sp_0 | +REPORTER + sp_1 <->{(c * 5E-05)}{(1E-09 * c)} sp_4 + sp_3 | +AND + STRAND ->{(c * 5E-05)} sp_8 + sp_6 + sp_5 | +sp_2 + STRAND ->{(c * 5E-05)} sp_7 + sp_6 + sp_5 | +sp_8 + STRAND_1 ->{(c * 5E-05)} sp_7 + sp_0 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Localization - AND gate.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - AND gate.crn new file mode 100644 index 0000000..f00c0e4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - AND gate.crn @@ -0,0 +1,21 @@ +directive sample 0.0,18000.0 1000 +directive plot sp_4 +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init AND 1.0 | +init REPORTER 1.0 | +init STRAND_1 in2 | +init STRAND in1 | +REPORTER + sp_2 ->{(c0 * 5E-05)} sp_5 + sp_4 | +sp_1 + STRAND_1 <->{(c0 * 5E-05)}{(c0 * 5E-05)} sp_3 + sp_2 | +AND + STRAND <->{(c0 * 5E-05)}{(c0 * 5E-05)} sp_1 + sp_0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR gate with nicks.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR gate with nicks.crn new file mode 100644 index 0000000..c2f9032 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR gate with nicks.crn @@ -0,0 +1,24 @@ +directive sample 0.0,18000.0 1000 +directive plot sp_3 +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init OR_1 1.0 | +init OR 1.0 | +init REPORTER 1.0 | +init STRAND_1 in2 | +init STRAND in1 | +OR_1 + STRAND_1 ->{(c * 5E-05)} sp_2 + sp_1 + sp_0 | +REPORTER + sp_0 <->{(c * 5E-05)}{(1E-09 * c)} sp_4 + sp_3 | +OR + STRAND ->{(c * 5E-05)} sp_7 + sp_6 + sp_5 | +sp_4 + sp_5 <->{(1E-09 * c)}{(1E-09 * c)} sp_8 + sp_0 | +REPORTER + sp_5 <->{(c * 5E-05)}{(1E-09 * c)} sp_8 + sp_3 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR gate.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR gate.crn new file mode 100644 index 0000000..8148dad --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR gate.crn @@ -0,0 +1,23 @@ +directive sample 0.0,18000.0 1000 +directive plot sp_2 +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init OR_1 1.0 | +init OR 1.0 | +init REPORTER 1.0 | +init STRAND_1 in2 | +init STRAND in1 | +REPORTER + sp_0 ->{(c0 * 5E-05)} sp_3 + sp_2 | +OR_1 + STRAND_1 <->{(c0 * 5E-05)}{(c0 * 5E-05)} sp_1 + sp_0 | +REPORTER + sp_4 ->{(c0 * 5E-05)} sp_6 + sp_2 | +OR + STRAND <->{(c0 * 5E-05)}{(c0 * 5E-05)} sp_5 + sp_4 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR of ANDs.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR of ANDs.crn new file mode 100644 index 0000000..56aa1c6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Localization - OR of ANDs.crn @@ -0,0 +1,30 @@ +directive sample 0.0,720.0 1000 +directive plot sp_6 +directive simulation cme +directive parameters + [ c = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep sweep_1 = + { c = [50.0, 500.0, 5000.0, 50000.0, 500000.0, 5000000.0] } + +init AND_1 1.0 | +init AND 1.0 | +init OR_1 1.0 | +init OR 1.0 | +init REPORTER 1.0 | +init STRAND_3 1.0 | +AND_1 + STRAND_3 ->{(1E-09 * c)} sp_2 + sp_1 + sp_0 | +OR_1 + sp_1 ->{(c * 5E-05)} sp_5 + sp_4 + sp_3 | +REPORTER + sp_3 <->{(c * 5E-05)}{(1E-09 * c)} sp_7 + sp_6 | +AND_1 + STRAND_2 ->{(c * 5E-05)} sp_11 + sp_9 + sp_8 | +sp_2 + STRAND_2 ->{(c * 5E-05)} sp_10 + sp_9 + sp_8 | +sp_11 + STRAND_3 ->{(c * 5E-05)} sp_10 + sp_0 + sp_1 | +AND + STRAND_1 ->{(1E-09 * c)} sp_14 + sp_13 + sp_12 | +OR + sp_13 ->{(c * 5E-05)} sp_17 + sp_16 + sp_15 | +sp_7 + sp_15 <->{(1E-09 * c)}{(1E-09 * c)} sp_18 + sp_3 | +REPORTER + sp_15 <->{(c * 5E-05)}{(1E-09 * c)} sp_18 + sp_6 | +AND + STRAND ->{(c * 5E-05)} sp_22 + sp_20 + sp_19 | +sp_14 + STRAND ->{(c * 5E-05)} sp_21 + sp_20 + sp_19 | +sp_22 + STRAND_1 ->{(c * 5E-05)} sp_21 + sp_12 + sp_13 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Montagne et al., Mol Syst Biol 2011 - Oscillator.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Montagne et al., Mol Syst Biol 2011 - Oscillator.crn new file mode 100644 index 0000000..166b60f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Montagne et al., Mol Syst Biol 2011 - Oscillator.crn @@ -0,0 +1,53 @@ +directive sample 0.0,100000.0 1000 +directive plot A; B; Inh +directive simulation deterministicstiff +directive parameters + [ ka = 0.00043333 + ; kda = 0.0383 + ; kdb = 0.0135 + ; kdInhT1 = 9.5E-05 + ; kdInhT3 = 3.5E-05 + ; kpol = 0.2833 + ; kIpol = 0.115 + ; knick = 0.05 + ; kexoa = 0.0053 + ; kexob = 0.0062 + ; kexoInh = 0.02 + ; ku = 0.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init A 0.1 | +init B 0.1 | +init Inh 0.1 | +init Template_2 30.0 | +init Template_1 30.0 | +init Template 5.0 | +Primed ->{kpol} Extended | +Extended ->{knick} Nicked | +Nicked ->{kpol} Extended + B | +Primed_1 ->{kIpol} Extended_1 | +Extended_1 ->{knick} Nicked_1 | +Nicked_1 ->{kIpol} Extended_1 + Inh | +Primed_2 ->{kpol} Extended_2 | +Extended_2 ->{knick} Nicked_2 | +Nicked_2 ->{kpol} Extended_2 + A | +Inhibited <->{kdInhT1}{ka} Inh + Template_2 | +Inhibited + A <->{ku}{ka} Inh + Primed_2 | +Inhibited + A <->{ku}{ka} Inh + sp_0 | +A ->{kexoa} | +B ->{kexob} | +Inh ->{kexoInh} | +Nicked_2 <->{kda}{ka} sp_0 + A | +sp_0 <->{kda}{ka} Template_2 + A | +Template_2 + A <->{ka}{kda} Primed_2 | +Nicked_2 <->{kda}{ka} Primed_2 + A | +Nicked_1 <->{kdb}{ka} sp_1 + B | +sp_1 <->{kdInhT3}{ka} Template_1 + Inh | +Template_1 + B <->{ka}{kdb} Primed_1 | +Nicked_1 <->{kdInhT3}{ka} Primed_1 + Inh | +Nicked <->{kda}{ka} sp_2 + A | +sp_2 <->{kdb}{ka} Template + B | +Template + A <->{ka}{kda} Primed | +Nicked <->{kdb}{ka} Primed + B \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Nature Nanotech 2013 - Consensus Modules.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Nature Nanotech 2013 - Consensus Modules.crn new file mode 100644 index 0000000..461a507 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Nature Nanotech 2013 - Consensus Modules.crn @@ -0,0 +1,125 @@ +directive sample 0.0,(12.0 * 3600.0) 1000 +directive plot Catalyst; Input +directive simulation deterministic +directive parameters + [ ka, (1E-05, 0.002), 0.0003, log, random + ; kq, (1E-05, 0.002), 0.0003, log, random + ; kr, (1E-05, 0.002), 0.0003, log, random + ; kb, (1E-05, 0.002), 0.0003, log, random + ; kc, (1E-05, 0.002), 0.0003, log, random + ; ua = 0.1 + ; ub = 0.1 + ; ur = 0.1 + ; uq = 0.1 + ; uc = 0.1 + ; kt, (1E-05, 0.002), 0.0003, log, random + ; ku1, (1E-05, 0.002), 0.0003, log, random + ; ku2, (1E-05, 0.002), 0.0003, log, random + ; ku3, (1E-05, 0.002), 0.0003, log, random + ; ut = 0.1 + ; uu1 = 0.1 + ; uu2 = 0.1 + ; uu3 = 0.1 + ; X = 50.0 + ; NG = 75.0 + ; NH = 100.0 + ; NR = 150.0 + ; Xv = 40.0 + ; NGv = 120.0 + ; NHv = 120.0 + ; NRv = 120.0 + ; Xh = 10.0 + ; NGh = 15.0 + ; NHh = 20.0 + ; NRh = 30.0 + ; Xi = 10.0 + ; NGi = 30.0 + ; NHi = 30.0 + ; NRi = 30.0 + ; NMi = 100.0 + ; Xr = 1.0 + ; NRr = 3.0 + ; Xm = 40.0 + ; NGm = 80.0 + ; NHm = 80.0 + ; NRm = 120.0 + ; leakXY2B_J = 0.01 + ; badXY2B_X = 0.01 + ; leakXY2B_F = 0.01 + ; badXY2B_Y = 0.01 + ; leakBX2X_J = 0.01 + ; badBX2X_B = 0.01 + ; leakBX2X_F = 0.01 + ; badBX2X_X = 0.01 + ; leakBY2Y_J = 0.01 + ; badBY2Y_B = 0.01 + ; leakBY2Y_F = 0.01 + ; badBY2Y_Y = 0.01 + ; leakJoinBX_B = 0.01 + ; badJoinBX_B = 0.01 + ; leakJoinBX_X = 0.01 + ; badJoinBX_X = 0.01 + ; leakJoinBX_H = 0.01 + ; badJoinBX_H = 0.01 + ; leakJoinBY_B = 0.01 + ; badJoinBY_B = 0.01 + ; leakJoinBY_Y = 0.01 + ; badJoinBY_Y = 0.01 + ; leakJoinBY_H = 0.01 + ; badJoinBY_H = 0.01 + ; leakJoinXY_X = 0.01 + ; badJoinXY_X = 0.01 + ; leakJoinXY_Y = 0.01 + ; badJoinXY_Y = 0.01 + ; leakJoinXY_H = 0.01 + ; badJoinXY_H = 0.01 + ; leakFork2B_R = 0.01 + ; badFork2B_R = 0.01 + ; leakFork2B_H1 = 0.01 + ; badFork2B_H1 = 0.01 + ; leakFork2B_H2 = 0.01 + ; badFork2B_H2 = 0.01 + ; leakFork2X_R = 0.01 + ; badFork2X_R = 0.01 + ; leakFork2X_H1 = 0.01 + ; badFork2X_H1 = 0.01 + ; leakFork2X_H2 = 0.01 + ; badFork2X_H2 = 0.01 + ; leakFork2Y_R = 0.01 + ; badFork2Y_R = 0.01 + ; leakFork2Y_H1 = 0.01 + ; badFork2Y_H1 = 0.01 + ; leakFork2Y_H2 = 0.01 + ; badFork2Y_H2 = 0.01 + ; leakJoinBX_R1 = 0.01 + ; badJoinBX_R1 = 0.01 + ; leakJoinBX_R2 = 0.01 + ; badJoinBX_R2 = 0.01 + ; leakJoinBX_R3 = 0.01 + ; badJoinBX_R3 = 0.01 + ; leakJoinBY_R1 = 0.01 + ; badJoinBY_R1 = 0.01 + ; leakJoinBY_R2 = 0.01 + ; badJoinBY_R2 = 0.01 + ; leakJoinBY_R3 = 0.01 + ; badJoinBY_R3 = 0.01 + ; leakJoinXY_R1 = 0.01 + ; badJoinXY_R1 = 0.01 + ; leakJoinXY_R2 = 0.01 + ; badJoinXY_R2 = 0.01 + ; leakJoinXY_R3 = 0.01 + ; badJoinXY_R3 = 0.01 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init CatalystR NMi | +init InputR NMi | +init Join_ABRev (NGi * (1.0 - leakJoinBX_R3)) | +init Input (NGi * leakJoinBX_R3) | +init Rep_Fork NRi | +init Translator ((0.4 * Xi) * (1.0 - badJoinBX_R3)) | +Rep_Fork + Input ->{kt} sp_0 + Signal_Fork | +Join_ABRev + Translator <->{ku1}{kt} sp_1 + Helper | +sp_1 + CatalystR <->{kt}{kt} sp_2 + Catalyst | +sp_2 + InputR <->{kt}{kt} sp_3 + Input \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Nature Nanotech 2013 - Consensus Parameterized.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Nature Nanotech 2013 - Consensus Parameterized.crn new file mode 100644 index 0000000..6fb1d9e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Nature Nanotech 2013 - Consensus Parameterized.crn @@ -0,0 +1,89 @@ +directive sample 0.0,(15.0 * 3600.0) 500 +directive plot Input; Catalyst; Input_1 +directive simulation deterministic +directive parameters + [ kF1_YY = 4.3095E-06 + ; kJ1 = 7.9236E-06 + ; kJ1r = 8.2974E-05 + ; kJ2 = 0.00012138 + ; kJ2r = 1.0223E-06 + ; kJ3 = 0.0005016 + ; kJ3r = 1.0123E-06 + ; kF1 = 1.2721E-05 + ; kF1r = 0.00023276 + ; kF2 = 5.653E-05 + ; kF2r = 0.00012561 + ; kF3 = 7.4418E-05 + ; kF3r = 1.0293E-06 + ; kF4 = 1.3428E-06 + ; kF5 = 0.00097709 + ; X = 80.0 + ; NG = 160.0 + ; NH = 160.0 + ; Nx = 0.7 + ; leakXY2B_J = 0.0172 + ; leakXY2B_F = 0.009 + ; leakBX2X_J = 0.0114 + ; leakBX2X_F = 2.2677E-06 + ; leakBY2Y_J = 0.0105 + ; leakBY2Y_F = 0.0154 + ; badXY2B_X = 3.5686E-05 + ; badXY2B_Y = 7.6834E-05 + ; badBX2X_B = 0.1504 + ; badBX2X_X = 0.1195 + ; badBY2Y_B = 1.0204E-05 + ; badBY2Y_Y = 0.25 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { Nx = [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9] } + +init Catalyst ((X * (1.0 - Nx)) * (1.0 - badXY2B_Y)) | +init End (4.0 * NH) | +init Fork_2 ((NG * 1.2) * (1.0 - leakBY2Y_F)) | +init Fork_1 (NG * (1.0 - leakBX2X_F)) | +init Fork (NG * (1.0 - leakXY2B_F)) | +init Helper_2 (NH * 1.2) | +init Helper_1 NH | +init Helper NH | +init Input ((X * Nx) * (1.0 - badXY2B_X)) | +init Join_2 ((NG * 1.2) * (1.0 - leakBY2Y_J)) | +init Translator_2 ((NG * 1.2) * leakBY2Y_J) | +init Join_1 (NG * (1.0 - leakBX2X_J)) | +init Translator_1 (NG * leakBX2X_J) | +init Join (NG * (1.0 - leakXY2B_J)) | +init Translator (NG * leakXY2B_J) | +init Output1R_2 (NH * 1.2) | +init Output1R_1 NH | +init Output1R NH | +init Output2R_2 (NH * 1.2) | +init Output2R_1 NH | +init Output2R NH | +init Output3R_2 (NH * 1.2) | +init Output3R_1 NH | +init Output3R NH | +sp_8 + sp_13 <->{kJ1r}{kJ1} Input + Join | +sp_2 + sp_14 <->{kJ2r}{kJ2} Catalyst + sp_13 | +Translator + sp_15 <->{kJ3r}{kJ3} Helper + sp_14 | +sp_16 + sp_17 <->{kF1r}{kF1} Translator + Fork | +Input_1 + sp_20 <->{kF2r}{kF2} Output1R + sp_17 | +sp_25 + sp_26 <->{kF3r}{kF3} Output2R + sp_20 | +Input_1 + sp_32 <->{kF2r}{kF4} Output3R + sp_26 | +End + sp_32 ->{kF5} sp_33 + sp_28 | +sp_0 + sp_7 <->{kJ1r}{kJ1} Input_1 + Join_1 | +sp_8 + sp_9 <->{kJ2r}{kJ2} Input + sp_7 | +Translator_1 + sp_10 <->{kJ3r}{kJ3} Helper_1 + sp_9 | +sp_11 + sp_12 <->{kF1r}{kF1} Translator_1 + Fork_1 | +Input + sp_19 <->{kF2r}{kF2} Output1R_1 + sp_12 | +sp_23 + sp_24 <->{kF3r}{kF3} Output2R_1 + sp_19 | +Input + sp_30 <->{kF2r}{kF4} Output3R_1 + sp_24 | +End + sp_30 ->{kF5} sp_31 + sp_28 | +sp_0 + sp_1 <->{kJ1r}{kJ1} Input_1 + Join_2 | +sp_2 + sp_3 <->{kJ2r}{kJ2} Catalyst + sp_1 | +Translator_2 + sp_4 <->{kJ3r}{kJ3} Helper_2 + sp_3 | +sp_5 + sp_6 <->{kF1r}{kF1_YY} Translator_2 + Fork_2 | +Catalyst + sp_18 <->{kF2r}{kF2} Output1R_2 + sp_6 | +sp_21 + sp_22 <->{kF3r}{kF3} Output2R_2 + sp_18 | +Catalyst + sp_27 <->{kF2r}{kF4} Output3R_2 + sp_22 | +End + sp_27 ->{kF5} sp_29 + sp_28 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Parameter Inference - Join + Reporter.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Parameter Inference - Join + Reporter.crn new file mode 100644 index 0000000..afca6e4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Parameter Inference - Join + Reporter.crn @@ -0,0 +1,61 @@ +directive sample 0.0,6000.0 1000 +directive plot SignalR +directive simulation deterministic +directive parameters + [ kint, (1E-05, 0.001), 3E-05, log, random + ; kextL, (1E-05, 0.001), 0.0001, log, random + ; kextR, (1E-05, 0.001), 0.0003, log, random + ; JoinOn = 0.0 + ; ForkOn = 0.0 + ; NRepJ = 0.0 + ; NRepF = 0.0 + ; NMi = 100.0 + ; NG = 30.0 + ; inB = 0.0 + ; inX = 0.0 + ; inH = 0.0 + ; inRepL = 0.0 + ; inRepR = 0.0 + ; inR = 0.0 + ; inH1 = 0.0 + ; inH2 = 0.0 + ; leakJoinBX_B, (0.0, 0.05), 0.001, real, random + ; badJoinBX_B, (0.0, 0.3), 0.0, real, random + ; badRepR, (0.0, 0.3), 0.2, real, random + ; T1, (0.0, 1800.0), 600.0, real, random + ; T1_Rep, (0.0, 1800.0), 600.0, real, random + ; N = 0.6 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep sweepRepR = + { N = [0.2, 0.4, 0.6, 0.8] + , inRepR = [1.0] + , NRepJ = [30.0] } +directive sweep sweepJoin_AddB = + { N = [0.0, 0.2, 0.4, 0.6] + , inB = [1.0] + , JoinOn = [1.0] + , NRepJ = [30.0] } +directive fit {sweepJoin_AddB; Join_Simulated; [SignalR] } +directive fit {sweepRepR; Rep_Simulated; [SignalR] } +directive fit_run { burnin = 5000 + ; samples = 20000 + ; mle_burnin = 0 + ; mle_samples = 0 + ; thin = 5 + ; separatenoise = true + ; noisemodel = 0 } + +event Translator (((inRepR * 4.0) * N) * (1.0 - badRepR)) @ T1_Rep | +event Input (((inB * 10.0) * N) * (1.0 - badJoinBX_B)) @ T1 | +init Catalyst (JoinOn * ((1.0 - inX) * NMi)) | +init Helper (JoinOn * ((1.0 - inH) * NMi)) | +init Input (JoinOn * ((1.0 - inB) * NMi)) | +init Join_AB (JoinOn * (NG * (1.0 - (inB * leakJoinBX_B)))) | +init Translator (JoinOn * (NG * (inB * leakJoinBX_B))) | +init RepR NRepJ | +sp_3 + Helper <->{kint}{kextR} sp_4 + Translator | +sp_1 + Catalyst <->{kint}{kint} sp_3 + sp_2 | +Join_AB + Input <->{kextL}{kint} sp_1 + sp_0 | +RepR + Translator ->{kextR} sp_5 + SignalR \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Parameter Inference - Reporter.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Parameter Inference - Reporter.crn new file mode 100644 index 0000000..d5a08e9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Parameter Inference - Reporter.crn @@ -0,0 +1,25 @@ +directive sample 0.0,6000.0 1000 +directive plot sp_1 +directive simulation deterministic +directive parameters + [ k, (1E-05, 0.002), 0.0003, log, random + ; bad, (0.0, 0.3), 0.2, real, random + ; T1, (0.0, 1800.0), 600.0, real, random + ; N = 0.6 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep sweepRepR = + { N = [0.2, 0.4, 0.6, 0.8] } +directive fit {sweepRepR; Rep_Simulated; [sp_1] } +directive fit_run { burnin = 2000 + ; samples = 10000 + ; mle_burnin = 0 + ; mle_samples = 0 + ; thin = 10 + ; separatenoise = true + ; noisemodel = 0 } + +event sp_0 ((4.0 * N) * (1.0 - bad)) @ T1 | +init sp_2 30.0 | +sp_2 + sp_0 ->{k} sp_3 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Scienze 2007 - Catalytic Directives.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Scienze 2007 - Catalytic Directives.crn new file mode 100644 index 0000000..c63ff08 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Scienze 2007 - Catalytic Directives.crn @@ -0,0 +1,15 @@ +directive sample 0.0,7000.0 1000 +directive plot sp_0; sp_1; sp_6; sp_4; sp_2 +directive scale 500.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_2 10.0 | +init sp_1 10.0 | +init sp_0 13.0 | +sp_2 + sp_1 <->{0.00065}{0.004} sp_3 | +sp_3 <->{0.04}{0.00042} sp_5 + sp_4 | +sp_5 + sp_0 ->{0.00042} sp_7 + sp_6 | +sp_7 <->{0.004}{0.00065} sp_8 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Scienze 2007 - Catalytic.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Scienze 2007 - Catalytic.crn new file mode 100644 index 0000000..963c9cb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Scienze 2007 - Catalytic.crn @@ -0,0 +1,14 @@ +directive sample 0.0,7000.0 1000 +directive scale 500.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_2 10.0 | +init sp_1 10.0 | +init sp_0 13.0 | +sp_2 + sp_1 <->{0.00065}{0.004} sp_3 | +sp_3 <->{0.04}{0.00042} sp_5 + sp_4 | +sp_5 + sp_0 ->{0.00042} sp_7 + sp_6 | +sp_7 <->{0.004}{0.00065} sp_8 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Simple - AND Circuit.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Simple - AND Circuit.crn new file mode 100644 index 0000000..5dfd92b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Simple - AND Circuit.crn @@ -0,0 +1,15 @@ +directive sample 0.0,1000000.0 1000 +directive plot Input1; Input2; Output +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND 10.0 | +init Input1 1.0 | +init Input2 1.0 | +AND + Input1 <->{0.0003}{0.1126} sp_0 | +sp_0 + Input2 ->{0.0003} sp_1 + Output | +AND + Input2 <->{0.0003}{0.1126} sp_2 | +sp_2 + Input1 ->{0.0003} sp_1 + Output \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Hairpin-free HCR.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Hairpin-free HCR.crn new file mode 100644 index 0000000..9dffb92 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Hairpin-free HCR.crn @@ -0,0 +1,13 @@ +directive sample 0.0,10000.0 1000 +directive simulation jit +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_4 3.0 | +init sp_3 1000.0 | +init sp_2 1000.0 | +init sp_1 3.0 | +init sp_0 1.0 | +sp_1 + sp_0 ->{0.0003} sp_5 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Migrations.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Migrations.crn new file mode 100644 index 0000000..37b49f0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Migrations.crn @@ -0,0 +1,11 @@ +directive sample 0.0,1.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_1 1000.0 | +init sp_0 1000.0 | +sp_1 ->{(8000.0 / 400.0)} sp_3 + sp_2 | +sp_3 ->{(8000.0 / 400.0)} sp_5 + sp_4 | +sp_0 ->{(8000.0 / 1600.0)} sp_7 + sp_6 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Monomers.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Monomers.crn new file mode 100644 index 0000000..d60d994 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Simple - Monomers.crn @@ -0,0 +1,9 @@ +directive sample 0.0,1000.0 100 +directive simulation jit +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_0 5.0 | +2sp_0 ->{0.0006} sp_2 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Square root - Qian and Winfree 4 bit square root circuit.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Square root - Qian and Winfree 4 bit square root circuit.crn new file mode 100644 index 0000000..8c055fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Square root - Qian and Winfree 4 bit square root circuit.crn @@ -0,0 +1,246 @@ +directive sample 0.0,36000.0 10000 +directive plot sp_23; sp_78; sp_34; sp_89 +directive scale 20.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init gateL_37 50.0 | +init gateL_36 50.0 | +init gateL_35 50.0 | +init gateL_34 50.0 | +init gateL_33 50.0 | +init gateL_32 50.0 | +init gateL_31 50.0 | +init gateL_30 50.0 | +init gateL_29 50.0 | +init gateL_28 50.0 | +init gateL_27 50.0 | +init gateL_26 50.0 | +init gateL_25 50.0 | +init gateL_24 100.0 | +init gateL_23 50.0 | +init gateL_22 100.0 | +init gateL_21 50.0 | +init gateL_20 100.0 | +init gateL_19 50.0 | +init gateL_18 100.0 | +init gateL_17 50.0 | +init gateL_16 150.0 | +init gateL_15 50.0 | +init gateL_14 150.0 | +init gateL_13 50.0 | +init gateL_12 100.0 | +init gateL_11 50.0 | +init gateL_10 100.0 | +init gateL_9 50.0 | +init gateL_8 100.0 | +init gateL_7 50.0 | +init gateL_6 100.0 | +init gateL_5 50.0 | +init gateL_4 50.0 | +init gateL_3 100.0 | +init gateL_2 50.0 | +init gateL_1 50.0 | +init gateL 100.0 | +init reporter_3 75.0 | +init reporter_2 75.0 | +init reporter_1 75.0 | +init reporter 75.0 | +init signal_23 300.0 | +init signal_22 300.0 | +init signal_21 300.0 | +init signal_20 300.0 | +init signal_19 100.0 | +init signal_18 100.0 | +init signal_17 100.0 | +init signal_16 100.0 | +init signal_15 100.0 | +init signal_14 100.0 | +init signal_13 100.0 | +init signal_12 100.0 | +init signal_11 100.0 | +init signal_10 100.0 | +init signal_9 200.0 | +init signal_8 200.0 | +init signal_7 5.0 | +init signal_6 45.0 | +init signal_5 45.0 | +init signal_4 5.0 | +init signal_3 5.0 | +init signal_2 45.0 | +init signal_1 5.0 | +init signal 45.0 | +init thresholdL_15 10.0 | +init thresholdL_14 10.0 | +init thresholdL_13 10.0 | +init thresholdL_12 10.0 | +init thresholdL_11 30.0 | +init thresholdL_10 60.0 | +init thresholdL_9 30.0 | +init thresholdL_8 60.0 | +init thresholdL_7 30.0 | +init thresholdL_6 110.0 | +init thresholdL_5 30.0 | +init thresholdL_4 60.0 | +init thresholdL_3 60.0 | +init thresholdL_2 30.0 | +init thresholdL_1 60.0 | +init thresholdL 30.0 | +gateL_37 + signal_7 <->{5E-05}{26.0} sp_2 | +sp_4 + signal_23 <->{5E-05}{26.0} sp_5 | +sp_5 <->{26.0}{5E-05} sp_6 + signal_7 | +sp_2 <->{26.0}{5E-05} sp_4 + sp_3 | +gateL_14 + sp_3 <->{5E-05}{26.0} sp_7 | +sp_7 <->{26.0}{5E-05} sp_9 + sp_8 | +gateL_15 + sp_8 <->{5E-05}{26.0} sp_10 | +sp_12 + signal_14 <->{5E-05}{26.0} sp_13 | +sp_13 <->{26.0}{5E-05} sp_14 + sp_8 | +sp_10 <->{26.0}{5E-05} sp_12 + sp_11 | +gateL_24 + sp_11 <->{5E-05}{26.0} sp_15 | +sp_15 <->{26.0}{5E-05} sp_17 + sp_16 | +gateL_25 + sp_16 <->{5E-05}{26.0} sp_18 | +sp_20 + signal_19 <->{5E-05}{26.0} sp_21 | +sp_21 <->{26.0}{5E-05} sp_22 + sp_16 | +reporter_3 + sp_19 ->{5E-05} sp_24 + sp_23 | +sp_18 <->{26.0}{5E-05} sp_20 + sp_19 | +gateL_36 + signal_7 <->{5E-05}{26.0} sp_1 | +sp_1 <->{26.0}{5E-05} sp_4 + sp_25 | +gateL_12 + sp_25 <->{5E-05}{26.0} sp_26 | +sp_26 <->{26.0}{5E-05} sp_28 + sp_27 | +gateL_13 + sp_27 <->{5E-05}{26.0} sp_29 | +sp_31 + signal_13 <->{5E-05}{26.0} sp_32 | +sp_32 <->{26.0}{5E-05} sp_33 + sp_27 | +reporter_1 + sp_30 ->{5E-05} sp_35 + sp_34 | +sp_29 <->{26.0}{5E-05} sp_31 + sp_30 | +gateL_35 + signal_7 <->{5E-05}{26.0} sp_0 | +sp_0 <->{26.0}{5E-05} sp_4 + sp_36 | +gateL_6 + sp_36 <->{5E-05}{26.0} sp_37 | +sp_37 <->{26.0}{5E-05} sp_39 + sp_38 | +gateL_7 + sp_38 <->{5E-05}{26.0} sp_40 | +sp_42 + signal_10 <->{5E-05}{26.0} sp_43 | +sp_43 <->{26.0}{5E-05} sp_44 + sp_38 | +sp_40 <->{26.0}{5E-05} sp_42 + sp_41 | +gateL_18 + sp_41 <->{5E-05}{26.0} sp_45 | +sp_45 <->{26.0}{5E-05} sp_47 + sp_46 | +gateL_19 + sp_46 <->{5E-05}{26.0} sp_48 | +sp_50 + signal_16 <->{5E-05}{26.0} sp_51 | +sp_51 <->{26.0}{5E-05} sp_52 + sp_46 | +sp_48 <->{26.0}{5E-05} sp_50 + sp_49 | +gateL_24 + sp_49 <->{5E-05}{26.0} sp_53 | +sp_53 <->{26.0}{5E-05} sp_54 + sp_16 | +gateL_34 + signal_6 <->{5E-05}{26.0} sp_57 | +sp_59 + signal_22 <->{5E-05}{26.0} sp_60 | +sp_60 <->{26.0}{5E-05} sp_61 + signal_6 | +sp_57 <->{26.0}{5E-05} sp_59 + sp_58 | +gateL_16 + sp_58 <->{5E-05}{26.0} sp_62 | +sp_62 <->{26.0}{5E-05} sp_64 + sp_63 | +gateL_17 + sp_63 <->{5E-05}{26.0} sp_65 | +sp_67 + signal_15 <->{5E-05}{26.0} sp_68 | +sp_68 <->{26.0}{5E-05} sp_69 + sp_63 | +sp_65 <->{26.0}{5E-05} sp_67 + sp_66 | +gateL_22 + sp_66 <->{5E-05}{26.0} sp_70 | +sp_70 <->{26.0}{5E-05} sp_72 + sp_71 | +gateL_23 + sp_71 <->{5E-05}{26.0} sp_73 | +sp_75 + signal_18 <->{5E-05}{26.0} sp_76 | +sp_76 <->{26.0}{5E-05} sp_77 + sp_71 | +reporter_2 + sp_74 ->{5E-05} sp_79 + sp_78 | +sp_73 <->{26.0}{5E-05} sp_75 + sp_74 | +gateL_33 + signal_6 <->{5E-05}{26.0} sp_56 | +sp_56 <->{26.0}{5E-05} sp_59 + sp_80 | +gateL_10 + sp_80 <->{5E-05}{26.0} sp_81 | +sp_81 <->{26.0}{5E-05} sp_83 + sp_82 | +gateL_11 + sp_82 <->{5E-05}{26.0} sp_84 | +sp_86 + signal_12 <->{5E-05}{26.0} sp_87 | +sp_87 <->{26.0}{5E-05} sp_88 + sp_82 | +reporter + sp_85 ->{5E-05} sp_90 + sp_89 | +sp_84 <->{26.0}{5E-05} sp_86 + sp_85 | +gateL_32 + signal_6 <->{5E-05}{26.0} sp_55 | +sp_55 <->{26.0}{5E-05} sp_59 + sp_91 | +gateL_8 + sp_91 <->{5E-05}{26.0} sp_92 | +sp_92 <->{26.0}{5E-05} sp_94 + sp_93 | +gateL_9 + sp_93 <->{5E-05}{26.0} sp_95 | +sp_97 + signal_11 <->{5E-05}{26.0} sp_98 | +sp_98 <->{26.0}{5E-05} sp_99 + sp_93 | +sp_95 <->{26.0}{5E-05} sp_97 + sp_96 | +gateL_20 + sp_96 <->{5E-05}{26.0} sp_100 | +sp_100 <->{26.0}{5E-05} sp_102 + sp_101 | +gateL_21 + sp_101 <->{5E-05}{26.0} sp_103 | +sp_105 + signal_17 <->{5E-05}{26.0} sp_106 | +sp_106 <->{26.0}{5E-05} sp_107 + sp_101 | +sp_103 <->{26.0}{5E-05} sp_105 + sp_104 | +gateL_22 + sp_104 <->{5E-05}{26.0} sp_108 | +sp_108 <->{26.0}{5E-05} sp_109 + sp_71 | +gateL_31 + signal_5 <->{5E-05}{26.0} sp_112 | +sp_114 + signal_21 <->{5E-05}{26.0} sp_115 | +sp_115 <->{26.0}{5E-05} sp_116 + signal_5 | +sp_112 <->{26.0}{5E-05} sp_114 + sp_113 | +gateL_14 + sp_113 <->{5E-05}{26.0} sp_117 | +sp_117 <->{26.0}{5E-05} sp_118 + sp_8 | +gateL_30 + signal_5 <->{5E-05}{26.0} sp_111 | +sp_111 <->{26.0}{5E-05} sp_114 + sp_119 | +gateL_12 + sp_119 <->{5E-05}{26.0} sp_120 | +sp_120 <->{26.0}{5E-05} sp_121 + sp_27 | +gateL_29 + signal_5 <->{5E-05}{26.0} sp_110 | +sp_110 <->{26.0}{5E-05} sp_114 + sp_122 | +gateL_8 + sp_122 <->{5E-05}{26.0} sp_123 | +sp_123 <->{26.0}{5E-05} sp_124 + sp_93 | +gateL_28 + signal_4 <->{5E-05}{26.0} sp_127 | +sp_129 + signal_20 <->{5E-05}{26.0} sp_130 | +sp_130 <->{26.0}{5E-05} sp_131 + signal_4 | +sp_127 <->{26.0}{5E-05} sp_129 + sp_128 | +gateL_16 + sp_128 <->{5E-05}{26.0} sp_132 | +sp_132 <->{26.0}{5E-05} sp_133 + sp_63 | +gateL_27 + signal_4 <->{5E-05}{26.0} sp_126 | +sp_126 <->{26.0}{5E-05} sp_129 + sp_134 | +gateL_10 + sp_134 <->{5E-05}{26.0} sp_135 | +sp_135 <->{26.0}{5E-05} sp_136 + sp_82 | +gateL_26 + signal_4 <->{5E-05}{26.0} sp_125 | +sp_125 <->{26.0}{5E-05} sp_129 + sp_137 | +gateL_6 + sp_137 <->{5E-05}{26.0} sp_138 | +sp_138 <->{26.0}{5E-05} sp_139 + sp_38 | +gateL + signal_3 <->{5E-05}{26.0} sp_140 | +sp_140 <->{26.0}{5E-05} sp_142 + sp_141 | +gateL_2 + sp_141 <->{5E-05}{26.0} sp_144 | +sp_146 + signal_8 <->{5E-05}{26.0} sp_147 | +sp_147 <->{26.0}{5E-05} sp_148 + sp_141 | +sp_144 <->{26.0}{5E-05} sp_146 + sp_145 | +gateL_18 + sp_145 <->{5E-05}{26.0} sp_149 | +sp_149 <->{26.0}{5E-05} sp_150 + sp_46 | +gateL_1 + sp_141 <->{5E-05}{26.0} sp_143 | +sp_143 <->{26.0}{5E-05} sp_146 + sp_151 | +gateL_16 + sp_151 <->{5E-05}{26.0} sp_152 | +sp_152 <->{26.0}{5E-05} sp_153 + sp_63 | +gateL_3 + signal_2 <->{5E-05}{26.0} sp_154 | +sp_154 <->{26.0}{5E-05} sp_156 + sp_155 | +gateL_5 + sp_155 <->{5E-05}{26.0} sp_158 | +sp_160 + signal_9 <->{5E-05}{26.0} sp_161 | +sp_161 <->{26.0}{5E-05} sp_162 + sp_155 | +sp_158 <->{26.0}{5E-05} sp_160 + sp_159 | +gateL_20 + sp_159 <->{5E-05}{26.0} sp_163 | +sp_163 <->{26.0}{5E-05} sp_164 + sp_101 | +gateL_4 + sp_155 <->{5E-05}{26.0} sp_157 | +sp_157 <->{26.0}{5E-05} sp_160 + sp_165 | +gateL_14 + sp_165 <->{5E-05}{26.0} sp_166 | +sp_166 <->{26.0}{5E-05} sp_167 + sp_8 | +gateL + signal_1 <->{5E-05}{26.0} sp_168 | +sp_168 <->{26.0}{5E-05} sp_169 + sp_141 | +gateL_3 + signal <->{5E-05}{26.0} sp_170 | +sp_170 <->{26.0}{5E-05} sp_171 + sp_155 | +thresholdL_15 + signal_7 ->{0.00205} sp_173 + sp_172 | +thresholdL_14 + signal_6 ->{0.00205} sp_175 + sp_174 | +thresholdL_13 + signal_5 ->{0.00205} sp_177 + sp_176 | +thresholdL_12 + signal_4 ->{0.00205} sp_179 + sp_178 | +thresholdL_11 + sp_16 ->{0.00205} sp_181 + sp_180 | +thresholdL_10 + sp_71 ->{0.00205} sp_183 + sp_182 | +thresholdL_9 + sp_101 ->{0.00205} sp_185 + sp_184 | +thresholdL_8 + sp_46 ->{0.00205} sp_187 + sp_186 | +thresholdL_7 + sp_63 ->{0.00205} sp_189 + sp_188 | +thresholdL_6 + sp_8 ->{0.00205} sp_191 + sp_190 | +thresholdL_5 + sp_27 ->{0.00205} sp_193 + sp_192 | +thresholdL_4 + sp_82 ->{0.00205} sp_195 + sp_194 | +thresholdL_3 + sp_93 ->{0.00205} sp_197 + sp_196 | +thresholdL_2 + sp_38 ->{0.00205} sp_199 + sp_198 | +thresholdL_1 + sp_155 ->{0.00205} sp_201 + sp_200 | +thresholdL + sp_141 ->{0.00205} sp_203 + sp_202 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Stack Machine, DNA17 - Ripple carry adder.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Stack Machine, DNA17 - Ripple carry adder.crn new file mode 100644 index 0000000..21eba9c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Stack Machine, DNA17 - Ripple carry adder.crn @@ -0,0 +1,85 @@ +directive sample 0.0,10000000.0 1000000 +directive plot sum(Signal) +directive simulation jit +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init EditStack_15 20.0 | +init EditStack_14 20.0 | +init EditStack_13 20.0 | +init EditStack_12 20.0 | +init EditStack_11 20.0 | +init EditStack_10 20.0 | +init EditStack_9 20.0 | +init EditStack_8 20.0 | +init EditStack_7 20.0 | +init EditStack_6 20.0 | +init EditStack_5 20.0 | +init EditStack_4 20.0 | +init EditStack_3 20.0 | +init EditStack_2 20.0 | +init EditStack_1 20.0 | +init EditStack 20.0 | +init EmptyStack 1.0 | +init Irrev33x33_3 20.0 | +init Irrev33x33_2 20.0 | +init Irrev33x33_1 20.0 | +init Irrev33x33 20.0 | +init Irrev33x35_7 20.0 | +init Irrev33x35_6 20.0 | +init Irrev33x35_5 20.0 | +init Irrev33x35_4 20.0 | +init Irrev33x35_3 20.0 | +init Irrev33x35_2 20.0 | +init Irrev33x35_1 20.0 | +init Irrev33x35 20.0 | +init Irrev53x3_15 20.0 | +init Irrev53x3_14 20.0 | +init Irrev53x3_13 20.0 | +init Irrev53x3_12 20.0 | +init Irrev53x3_11 20.0 | +init Irrev53x3_10 20.0 | +init Irrev53x3_9 20.0 | +init Irrev53x3_8 20.0 | +init Irrev53x3_7 20.0 | +init Irrev53x3_6 20.0 | +init Irrev53x3_5 20.0 | +init Irrev53x3_4 20.0 | +init Irrev53x3_3 20.0 | +init Irrev53x3_2 20.0 | +init Irrev53x3_1 20.0 | +init Irrev53x3 20.0 | +init Irrev53x33_13 20.0 | +init Irrev53x33_12 20.0 | +init Irrev53x33_11 20.0 | +init Irrev53x33_10 20.0 | +init Irrev53x33_9 20.0 | +init Irrev53x33_8 20.0 | +init Irrev53x33_7 20.0 | +init Irrev53x33_6 20.0 | +init Irrev53x33_5 20.0 | +init Irrev53x33_4 20.0 | +init Irrev53x33_3 20.0 | +init Irrev53x33_2 20.0 | +init Irrev53x33_1 20.0 | +init Irrev53x33 20.0 | +init Irrev53x35_11 20.0 | +init Irrev53x35_10 20.0 | +init Irrev53x35_9 20.0 | +init Irrev53x35_8 20.0 | +init Irrev53x35_7 20.0 | +init Irrev53x35_6 20.0 | +init Irrev53x35_5 20.0 | +init Irrev53x35_4 20.0 | +init Irrev53x35_3 20.0 | +init Irrev53x35_2 20.0 | +init Irrev53x35_1 20.0 | +init Irrev53x35 20.0 | +init OneStack 1.0 | +init Signal_1 1.0 | +init Signal 1.0 | +init TwoStack_1 1.0 | +init TwoStack 1.0 | +TwoStack + Signal_1 ->{0.0003} EditStack_3 + sp_0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Directives.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Directives.crn new file mode 100644 index 0000000..05a11a5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Directives.crn @@ -0,0 +1,15 @@ +directive sample 0.0,6000.0 1000 +directive plot Input1; Input2; sp_2; Signal +directive simulation deterministic +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Input1 10.0 | +init Input2 10.0 | +init Join 100.0 | +init Reporter 100.0 | +sp_1 + Input2 <->{0.0003}{0.0003} sp_3 + sp_2 | +Join + Input1 <->{0.0003}{0.0003} sp_1 + sp_0 | +Reporter + sp_2 ->{0.0003} sp_4 + Signal \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Events.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Events.crn new file mode 100644 index 0000000..7601823 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Events.crn @@ -0,0 +1,20 @@ +directive sample 0.0,6000.0 1000 +directive plot Signal +directive scale 10.0 +directive simulation deterministicstiff +directive parameters + [ N = 1.0 + ; T1 = 600.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep sweep_1 = + { N = [0.0, 0.2, 0.4, 0.6] } + +event Input1 (N * 10.0) @ T1 | +init Input2 10.0 | +init Join 100.0 | +init Reporter 100.0 | +sp_1 + Input2 <->{0.0003}{0.0003} sp_3 + sp_2 | +Join + Input1 <->{0.0003}{0.0003} sp_1 + sp_0 | +Reporter + sp_2 ->{0.0003} sp_4 + Signal \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Fit.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Fit.crn new file mode 100644 index 0000000..015527b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Fit.crn @@ -0,0 +1,30 @@ +directive sample 0.0,6000.0 1000 +directive plot Signal +directive scale 10.0 +directive simulation deterministic +directive parameters + [ N = 1.0 + ; ktb, (1E-05, 0.002), 0.0003, log, random + ; ktx, (1E-05, 0.002), 0.0003, log, random + ; kto, (1E-05, 0.002), 0.0003, log, random + ; T1, (0.0, 1800.0), 600.0, real, random + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep s1 = + { N = [0.0, 0.2, 0.4, 0.6] } +directive fit {s1; Join_Simulated; [Signal] } +directive fit_run { burnin = 2000 + ; samples = 10000 + ; mle_burnin = 0 + ; mle_samples = 0 + ; thin = 10 + ; separatenoise = true + ; noisemodel = 0 } + +init Input2 30.0 | +init Join 30.0 | +init Reporter 30.0 | +sp_1 + Input2 <->{ktx}{kto} sp_3 + sp_2 | +Join + Input1 <->{ktb}{ktx} sp_1 + sp_0 | +Reporter + sp_2 ->{kto} sp_4 + Signal \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Reporter Z3.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Reporter Z3.crn new file mode 100644 index 0000000..a0e0012 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Reporter Z3.crn @@ -0,0 +1,44 @@ +directive sample 0.0,10000.0 1000 +directive plot Input1; Input2; Signal +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +predicate out2 = { +Signal = Input2@[0.0] +} | +predicate out1 = { +Signal = Input1@[0.0] +} | +predicate min2 = { +Input1 >= Input2 +} | +predicate min1 = { +Input1 < Input2 +} | +predicate MinFn = { +min1 -> out1 and min2 -> out2 +} | +predicate Error = { +not MinFn +} | +query errorComputation = { +abstraction connected; + +Init@[0.0] and Terminal@[1.0] and ConservationOfMass@[1.0] and Error@[1.0] +} | +query correctComputation = { +abstraction stutter; + +Init@[0.0] and Terminal@[5.0] and ConservationOfMass@[5.0] and MinFn@[5.0] +} | +init Input1 1.0 | +init Input2 1.0 | +init Join 3.0 | +init Reporter 3.0 | +Join + Input1 <->{0.0003}{0.1126} sp_0 | +sp_2 + Input2 <->{0.0003}{0.1126} sp_3 | +sp_3 <->{0.1126}{0.0003} sp_5 + sp_4 | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 | +Reporter + sp_4 ->{0.0003} sp_6 + Signal \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Reporter.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Reporter.crn new file mode 100644 index 0000000..c56c221 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join Reporter.crn @@ -0,0 +1,17 @@ +directive sample 0.0,10000.0 1000 +directive plot Input1; Input2; Signal +directive scale 10.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Input1 10.0 | +init Input2 10.0 | +init Join 100.0 | +init Reporter 100.0 | +Join + Input1 <->{0.0003}{0.1126} sp_0 | +sp_2 + Input2 <->{0.0003}{0.1126} sp_3 | +sp_3 <->{0.1126}{0.0003} sp_5 + sp_4 | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 | +Reporter + sp_4 ->{0.0003} sp_6 + Signal \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join.crn new file mode 100644 index 0000000..0b647af --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Tutorial, VEMDP 2014 - Join.crn @@ -0,0 +1,15 @@ +directive sample 0.0,10000.0 1000 +directive plot Input1; Input2; Output +directive scale 10.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Input1 10.0 | +init Input2 10.0 | +init Join 100.0 | +Join + Input1 <->{0.0003}{0.1126} sp_0 | +sp_2 + Input2 <->{0.0003}{0.1126} sp_3 | +sp_3 <->{0.1126}{0.0003} sp_4 + Output | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.crn new file mode 100644 index 0000000..fb7191c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.crn @@ -0,0 +1,114 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init Annihilation_15 Cmax | +init Annihilation_14 Cmax | +init Annihilation_13 Cmax | +init Annihilation_12 Cmax | +init Annihilation_11 Cmax | +init Annihilation_10 Cmax | +init Annihilation_9 Cmax | +init Annihilation_8 Cmax | +init Annihilation_7 Cmax | +init Annihilation_6 Cmax | +init Annihilation_5 Cmax | +init Annihilation_4 Cmax | +init Annihilation_3 Cmax | +init Annihilation_2 Cmax | +init Annihilation_1 Cmax | +init Annihilation Cmax | +init Catalysis_7 Cmax | +init Catalysis_6 Cmax | +init Catalysis_5 Cmax | +init Catalysis_4 Cmax | +init Catalysis_3 Cmax | +init Catalysis_2 Cmax | +init Catalysis_1 Cmax | +init Catalysis Cmax | +init Catalysis'_7 Cmax | +init Catalysis'_6 Cmax | +init Catalysis'_5 Cmax | +init Catalysis'_4 Cmax | +init Catalysis'_3 Cmax | +init Catalysis'_2 Cmax | +init Catalysis'_1 Cmax | +init Catalysis' Cmax | +init CatalysisInv_1 Cmax | +init CatalysisInv Cmax | +init CatalysisInv'_1 Cmax | +init CatalysisInv' Cmax | +init Degradation_1 Cmax | +init Degradation Cmax | +init Degradation'_1 Cmax | +init Degradation' Cmax | +init R x0 | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +Catalysis + R ->{(kt * c)} sp_1 + sp_0 | +Annihilation_4 + R <->{kt}{kt} sp_2 + Annihilation_5 | +Catalysis_1 + sp_0 ->{kt} sp_4 + sp_3 + R | +Catalysis_4 + sp_3 ->{(kt * c)} sp_6 + sp_8 | +Catalysis_2 + sp_3 ->{(kt * c)} sp_6 + sp_7 | +Degradation + sp_3 ->{(kt * c)} sp_6 + sp_5 | +Annihilation_12 + sp_3 <->{kt}{kt} sp_9 + Annihilation_13 | +Catalysis_5 + sp_8 ->{kt} sp_10 + V + sp_3 | +Degradation_1 + V ->{(kt * c)} sp_12 + sp_11 | +Annihilation_8 + V <->{kt}{kt} sp_13 + Annihilation_9 | +Catalysis_3 + sp_7 ->{kt} sp_15 + sp_14 + sp_3 | +Catalysis_6 + sp_14 ->{(kt * c)} sp_17 + sp_16 | +Annihilation + sp_14 <->{kt}{kt} sp_18 + Annihilation_1 | +Catalysis_7 + sp_16 ->{kt} sp_19 + V + sp_14 | +Catalysis' + R' ->{(kt * c)} sp_23 + sp_22 | +sp_2 + R' ->{kt} sp_21 + sp_20 | +Annihilation_6 + R' <->{kt}{kt} sp_24 + Annihilation_7 | +sp_24 + R ->{kt} sp_26 + sp_25 | +Catalysis'_1 + sp_22 ->{kt} sp_28 + sp_27 + R' | +Catalysis'_4 + sp_27 ->{(kt * c)} sp_31 + sp_33 | +Catalysis'_2 + sp_27 ->{(kt * c)} sp_31 + sp_32 | +Degradation' + sp_27 ->{(kt * c)} sp_31 + sp_29 | +sp_9 + sp_27 ->{kt} sp_30 + sp_29 | +Annihilation_14 + sp_27 <->{kt}{kt} sp_34 + Annihilation_15 | +sp_34 + sp_3 ->{kt} sp_35 + sp_5 | +Catalysis'_5 + sp_33 ->{kt} sp_36 + V' + sp_27 | +Degradation'_1 + V' ->{(kt * c)} sp_39 + sp_37 | +sp_13 + V' ->{kt} sp_38 + sp_37 | +Annihilation_10 + V' <->{kt}{kt} sp_40 + Annihilation_11 | +sp_40 + V ->{kt} sp_41 + sp_11 | +Catalysis'_3 + sp_32 ->{kt} sp_43 + sp_42 + sp_27 | +Catalysis'_6 + sp_42 ->{(kt * c)} sp_47 + sp_46 | +sp_18 + sp_42 ->{kt} sp_45 + sp_44 | +Annihilation_2 + sp_42 <->{kt}{kt} sp_48 + Annihilation_3 | +sp_48 + sp_14 ->{kt} sp_50 + sp_49 | +Catalysis'_7 + sp_46 ->{kt} sp_51 + V' + sp_42 | +CatalysisInv + Y ->{(kt * c)} sp_53 + sp_52 | +CatalysisInv_1 + sp_52 ->{kt} sp_54 + sp_27 + Y | +CatalysisInv' + Y' ->{(kt * c)} sp_56 + sp_55 | +CatalysisInv'_1 + sp_55 ->{kt} sp_57 + sp_3 + Y' \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.crn new file mode 100644 index 0000000..49c3844 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.crn @@ -0,0 +1,52 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init R x0 | +R ->{cat} R + sp9 | +R' ->{cat} R' + sp10 | +Y ->{cat} Y + sp10 | +Y' ->{cat} Y' + sp9 | +sp9 ->{deg} | +sp10 ->{deg} | +sp9 ->{cat} sp9 + sp11 | +sp10 ->{cat} sp10 + sp12 | +sp9 ->{cat} sp9 + V | +sp10 ->{cat} sp10 + V' | +sp11 ->{cat} sp11 + V | +sp12 ->{cat} sp12 + V' | +V ->{deg} | +V' ->{deg} | +sp11 + sp12 ->{ann} | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +R + R' ->{ann} | +V + V' ->{ann} | +sp9 + sp10 ->{ann} \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.crn new file mode 100644 index 0000000..e2534b0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.crn @@ -0,0 +1,123 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init R x0 | +init TemplateOff_3 Cmax | +init TemplateOff_2 Cmax | +init TemplateOff_1 Cmax | +init TemplateOff Cmax | +init TemplateOffInv_2 Cmax | +init TemplateOffInv_1 Cmax | +init TemplateOffInv Cmax | +init TemplateOff'_3 Cmax | +init TemplateOff'_2 Cmax | +init TemplateOff'_1 Cmax | +init TemplateOff' Cmax | +init TemplateOffInv'_2 Cmax | +init TemplateOffInv'_1 Cmax | +init TemplateOffInv' Cmax | +Template ->{pol} TemplateDS + sp_1 | +TemplateDS ->{nick} Template | +sp_3 ->{pol} sp_32 + sp_18 | +sp_32 ->{nick} sp_3 | +TemplateInv ->{pol} TemplateDSInv + sp_18 | +TemplateDSInv ->{nick} TemplateInv | +sp_7 ->{pol} sp_30 + sp_1 | +sp_30 ->{nick} sp_7 | +TemplateInv_1 ->{pol} TemplateDSInv_1 + sp_18 | +TemplateDSInv_1 ->{nick} TemplateInv_1 | +sp_19 ->{pol} sp_28 + sp_1 | +sp_28 ->{nick} sp_19 | +Template_1 ->{pol} TemplateDS_1 + sp_0 | +TemplateDS_1 ->{nick} Template_1 | +sp_20 ->{pol} sp_26 + sp_13 | +sp_26 ->{nick} sp_20 | +Template_2 ->{pol} TemplateDS_2 + V | +TemplateDS_2 ->{nick} Template_2 | +sp_21 ->{pol} sp_17 + V' | +sp_17 ->{nick} sp_21 | +Template_3 ->{pol} TemplateDS_3 + V | +TemplateDS_3 ->{nick} Template_3 | +sp_14 ->{pol} sp_12 + V' | +sp_12 ->{nick} sp_14 | +TemplateInv_2 ->{pol} TemplateDSInv_2 + V' | +TemplateDSInv_2 ->{nick} TemplateInv_2 | +sp_4 ->{pol} sp_10 + V | +sp_10 ->{nick} sp_4 | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +R' + R ->{ann} Ann_1 | +Template_3 <->{unbind}{bind} TemplateOff_3 + sp_0 | +Template_2 <->{unbind}{bind} TemplateOff_2 + sp_1 | +Template_1 <->{unbind}{bind} TemplateOff_1 + sp_1 | +Template + R' ->{bind} Ann_1 + TemplateOff | +Template <->{unbind}{bind} TemplateOff + R | +TemplateDS + R' <->{bind}{unbind} sp_2 | +TemplateInv_2 <->{unbind}{bind} TemplateOffInv_2 + V | +TemplateInv_1 <->{unbind}{bind} TemplateOffInv_1 + sp_1 | +TemplateInv <->{unbind}{bind} TemplateOffInv + Y | +TemplateOff' + R' <->{bind}{unbind} sp_3 | +sp_3 + R ->{bind} Ann_1 + TemplateOff' | +TemplateInv_2 + V' ->{bind} Ann_2 + TemplateOffInv_2 | +V' + V ->{ann} Ann_2 | +TemplateDSInv_2 + V' <->{bind}{unbind} sp_5 | +TemplateOffInv'_2 + V' <->{bind}{unbind} sp_4 | +sp_4 + V ->{bind} Ann_2 + TemplateOffInv'_2 | +TemplateInv + Y' ->{bind} sp_6 + TemplateOffInv | +Y' + Y ->{ann} sp_6 | +TemplateDSInv + Y' <->{bind}{unbind} sp_8 | +TemplateOffInv' + Y' <->{bind}{unbind} sp_7 | +sp_7 + Y ->{bind} sp_6 + TemplateOffInv' | +sp_10 + V <->{bind}{unbind} sp_9 | +sp_12 + sp_0 <->{bind}{unbind} sp_11 | +sp_14 + sp_0 ->{bind} Ann + TemplateOff'_3 | +Template_3 + sp_13 ->{bind} Ann + TemplateOff_3 | +sp_14 <->{unbind}{bind} TemplateOff'_3 + sp_13 | +sp_13 + sp_0 ->{ann} Ann | +TemplateDS_3 + sp_13 <->{bind}{unbind} sp_15 | +sp_17 + sp_1 <->{bind}{unbind} sp_16 | +sp_21 + sp_1 ->{bind} Ann_3 + TemplateOff'_2 | +Template_2 + sp_18 ->{bind} Ann_3 + TemplateOff_2 | +Template_1 + sp_18 ->{bind} Ann_3 + TemplateOff_1 | +TemplateInv_1 + sp_18 ->{bind} Ann_3 + TemplateOffInv_1 | +sp_21 <->{unbind}{bind} TemplateOff'_2 + sp_18 | +sp_18 + sp_1 ->{ann} Ann_3 | +TemplateDS_2 + sp_18 <->{bind}{unbind} sp_24 | +TemplateDS_1 + sp_18 <->{bind}{unbind} sp_23 | +TemplateDSInv_1 + sp_18 <->{bind}{unbind} sp_22 | +TemplateOff'_1 + sp_18 <->{bind}{unbind} sp_20 | +sp_20 + sp_1 ->{bind} Ann_3 + TemplateOff'_1 | +TemplateOffInv'_1 + sp_18 <->{bind}{unbind} sp_19 | +sp_19 + sp_1 ->{bind} Ann_3 + TemplateOffInv'_1 | +sp_26 + sp_1 <->{bind}{unbind} sp_25 | +sp_28 + sp_1 <->{bind}{unbind} sp_27 | +sp_30 + Y <->{bind}{unbind} sp_29 | +sp_32 + R <->{bind}{unbind} sp_31 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.crn new file mode 100644 index 0000000..d8d8a2c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.crn @@ -0,0 +1,105 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init R x0 | +init Rev_3 Cmax | +init Rev_2 (2.0 * Cmax) | +init Rev_1 Cmax | +init Rev Cmax | +init Rev'_3 Cmax | +init Rev'_2 (2.0 * Cmax) | +init Rev'_1 Cmax | +init Rev' Cmax | +init TemplateOff_3 Cmax | +init TemplateOff_2 Cmax | +init TemplateOff_1 Cmax | +init TemplateOff Cmax | +init TemplateOff'_3 Cmax | +init TemplateOff'_2 Cmax | +init TemplateOff'_1 Cmax | +init TemplateOff' Cmax | +init TemplateOffInv Cmax | +init TemplateOffInv' Cmax | +init Transducer_3 Cmax | +init Transducer_2 (2.0 * Cmax) | +init Transducer_1 Cmax | +init Transducer Cmax | +init TransducerRev Cmax | +init Transducer'_3 Cmax | +init Transducer'_2 (2.0 * Cmax) | +init Transducer'_1 Cmax | +init Transducer' Cmax | +init TransducerRev' Cmax | +init TransducerRev_3 Cmax | +init TransducerRev_2 (2.0 * Cmax) | +init TransducerRev_1 Cmax | +init TransducerRev'_3 Cmax | +init TransducerRev'_2 (2.0 * Cmax) | +init TransducerRev'_1 Cmax | +Template ->{pol} Template + sp_3 | +sp_1 ->{pol} sp_1 + sp_13 | +sp_5 ->{pol} sp_5 + sp_13 | +sp_8 ->{pol} sp_8 + sp_3 | +sp_3 ->{deg} | +sp_13 ->{deg} | +Template_1 ->{pol} Template_1 + sp_2 | +sp_14 ->{pol} sp_14 + sp_10 | +Template_2 ->{pol} Template_2 + V | +sp_15 ->{pol} sp_15 + V' | +Template_3 ->{pol} Template_3 + V | +sp_11 ->{pol} sp_11 + V' | +V ->{deg} | +V' ->{deg} | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +R' + R ->{ann} Ann_1 | +Template_3 + Rev_3 <->{bind2}{bind2} TemplateOff_3 + Fwd_2 | +Template_2 + Rev_2 <->{bind2}{bind2} TemplateOff_2 + Fwd_1 | +Template_1 + Rev_2 <->{bind2}{bind2} TemplateOff_1 + Fwd_1 | +Template + Rev <->{bind2}{bind2} TemplateOff + Fwd | +Transducer + R <->{bind1}{bind2} TransducerRev + Fwd | +Transducer' + R' <->{bind1}{bind2} TransducerRev' + sp_0 | +TemplateOff' + sp_0 <->{bind2}{bind2} sp_1 + Rev' | +TransducerRev_3 + Fwd_2 <->{bind2}{bind1} Transducer_3 + sp_2 | +TransducerRev_2 + Fwd_1 <->{bind2}{bind1} Transducer_2 + sp_3 | +V' + V ->{ann} Ann_2 | +Transducer_1 + Y <->{bind1}{bind2} TransducerRev_1 + sp_4 | +TemplateOffInv + sp_4 <->{bind2}{bind2} sp_5 + Rev_1 | +Y' + Y ->{ann} sp_6 | +Transducer'_1 + Y' <->{bind1}{bind2} TransducerRev'_1 + sp_7 | +TemplateOffInv' + sp_7 <->{bind2}{bind2} sp_8 + Rev'_1 | +sp_11 + Rev'_3 <->{bind2}{bind2} TemplateOff'_3 + sp_9 | +TransducerRev'_3 + sp_9 <->{bind2}{bind1} Transducer'_3 + sp_10 | +sp_10 + sp_2 ->{ann} Ann | +sp_15 + Rev'_2 <->{bind2}{bind2} TemplateOff'_2 + sp_12 | +TemplateOff'_1 + sp_12 <->{bind2}{bind2} sp_14 + Rev'_2 | +TransducerRev'_2 + sp_12 <->{bind2}{bind1} Transducer'_2 + sp_13 | +sp_13 + sp_3 ->{ann} Ann_3 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - And Gate.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - And Gate.crn new file mode 100644 index 0000000..ad94090 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - And Gate.crn @@ -0,0 +1,37 @@ +directive plot sp_15; Gate +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AndGate_1 10.0 | +init AndGate 10.0 | +init FuelOne 10.0 | +init FuelTwo 10.0 | +init Gate 10.0 | +Gate + AndGate_1 <->{0.00065}{0.004} sp_1 | +sp_4 + FuelTwo ->{0.00042} sp_6 + sp_5 | +sp_4 + AndGate <->{0.0003}{0.1126} sp_7 | +sp_7 + FuelTwo ->{0.00042} sp_6 + sp_8 | +sp_10 + FuelOne ->{0.0003} sp_13 + sp_12 | +sp_10 + FuelTwo ->{0.00042} sp_6 + sp_11 | +sp_13 <->{0.1126}{0.0003} sp_14 + AndGate | +sp_12 + FuelTwo ->{0.00042} sp_6 + sp_15 | +sp_6 <->{0.004}{0.00065} sp_16 + AndGate_1 | +sp_11 + FuelOne ->{0.0003} sp_13 + sp_15 | +sp_7 <->{0.1126}{0.0003} sp_10 + sp_9 | +sp_11 + sp_9 <->{0.0003}{0.1126} sp_8 | +sp_8 <->{0.1126}{0.0003} sp_5 + AndGate | +sp_1 <->{0.04}{0.00042} sp_4 + sp_3 | +sp_1 + AndGate <->{0.0003}{0.1126} sp_2 | +sp_7 + sp_3 <->{0.00042}{0.04} sp_2 | +sp_10 + sp_3 <->{0.00042}{0.04} sp_18 | +sp_18 + FuelOne ->{0.0003} sp_13 + sp_17 | +sp_2 <->{0.1126}{0.0003} sp_18 + sp_9 | +sp_18 <->{0.004}{0.00065} sp_19 + AndGate_1 | +sp_19 + FuelOne ->{0.0003} sp_13 + sp_20 | +sp_12 + sp_3 <->{0.00042}{0.04} sp_17 | +sp_20 + AndGate_1 <->{0.00065}{0.004} sp_17 | +Gate + AndGate <->{0.0003}{0.1126} sp_0 | +sp_19 + sp_9 <->{0.0003}{0.1126} sp_0 | +sp_2 <->{0.004}{0.00065} sp_0 + AndGate_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Autocatalytic.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Autocatalytic.crn new file mode 100644 index 0000000..0aac97a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Autocatalytic.crn @@ -0,0 +1,29 @@ +directive sample 0.0,1000.0 100 +directive plot Fuel; Autocatalyst; sp_12 +directive scale 500.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Autocatalyst 100.0 | +init FluorescingAutocatalytic 100.0 | +init Fuel 100.0 | +init Substrate 100.0 | +FluorescingAutocatalytic + Autocatalyst ->{0.0006} sp_0 | +FluorescingAutocatalytic + Fuel ->{0.0006} sp_1 | +Substrate + Autocatalyst <->{0.0003}{0.1126} sp_4 | +sp_7 + Fuel ->{0.00042} sp_9 + Autocatalyst | +sp_9 <->{0.1126}{0.0003} sp_10 + Autocatalyst | +sp_10 + Fuel <->{0.0003}{0.1126} sp_11 | +sp_7 + FluorescingAutocatalytic <->{0.0003}{0.1126} sp_8 | +sp_8 + Fuel ->{0.00042} sp_0 + sp_9 | +FluorescingAutocatalytic + sp_6 ->{0.0006} sp_13 + sp_12 | +sp_4 <->{0.04}{0.00042} sp_7 + sp_6 | +sp_4 + FluorescingAutocatalytic <->{0.0003}{0.1126} sp_5 | +sp_8 + sp_6 <->{0.00042}{0.04} sp_5 | +Substrate + FluorescingAutocatalytic <->{0.0003}{0.1126} sp_2 | +sp_5 <->{0.1126}{0.0003} sp_2 + Autocatalyst | +sp_2 + Fuel <->{0.0003}{0.1126} sp_14 | +Substrate + Fuel <->{0.0003}{0.1126} sp_3 | +sp_14 <->{0.1126}{0.0003} FluorescingAutocatalytic + sp_3 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Cross Catalytic.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Cross Catalytic.crn new file mode 100644 index 0000000..4ac1628 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Cross Catalytic.crn @@ -0,0 +1,35 @@ +directive plot catalyst0; catalyst1; sp_22 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Fuel0 10.0 | +init Fuel1 10.0 | +init Substrate0 10.0 | +init Substrate1 10.0 | +init catalyst0 5.0 | +init catalyst1 5.0 | +init reporter 10.0 | +Substrate0 + Fuel0 <->{0.00065}{0.004} sp_1 | +Substrate0 + Fuel1 <->{0.00065}{0.004} sp_0 | +Substrate1 + Fuel0 <->{0.00065}{0.004} sp_3 | +Substrate1 + Fuel1 <->{0.00065}{0.004} sp_2 | +Substrate0 + catalyst0 <->{0.00065}{0.004} sp_5 | +Substrate1 + catalyst0 <->{0.00065}{0.004} sp_4 | +sp_7 + Fuel1 ->{0.00042} sp_8 + catalyst1 | +sp_8 <->{0.004}{0.00065} sp_9 + catalyst0 | +sp_9 + Fuel0 <->{0.00065}{0.004} sp_11 | +sp_9 + Fuel1 <->{0.00065}{0.004} sp_10 | +Substrate0 + catalyst1 <->{0.00065}{0.004} sp_14 | +sp_16 + Fuel0 ->{0.0005} sp_17 + catalyst0 | +sp_17 <->{0.004}{0.00065} sp_18 + catalyst1 | +sp_18 + Fuel0 <->{0.00065}{0.004} sp_21 | +sp_18 + Fuel1 <->{0.00065}{0.004} sp_20 | +sp_18 + catalyst0 <->{0.00065}{0.004} sp_19 | +sp_14 <->{0.00019}{0.0005} sp_16 + sp_15 | +Substrate1 + catalyst1 <->{0.00065}{0.004} sp_13 | +sp_9 + catalyst1 <->{0.00065}{0.004} sp_12 | +sp_4 <->{0.04}{0.00042} sp_7 + sp_6 | +reporter + sp_6 ->{0.0003} sp_23 + sp_22 | +reporter + Fuel1 <->{0.0003}{0.1126} sp_24 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Feed forward.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Feed forward.crn new file mode 100644 index 0000000..1216ffd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Feed forward.crn @@ -0,0 +1,24 @@ +directive plot F0; F1; sp_15 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init C0 100.0 | +init F0 100.0 | +init F1 100.0 | +init FluorescingFeedforward 100.0 | +init OBSB0 100.0 | +init OBSB1 100.0 | +FluorescingFeedforward + F1 <->{0.00042}{0.04} sp_0 | +OBSB0 + C0 <->{0.00065}{0.004} sp_1 | +sp_3 + F0 ->{0.0005} sp_5 + sp_4 | +sp_5 <->{0.004}{0.00065} sp_6 + C0 | +sp_1 <->{0.00019}{0.0005} sp_3 + sp_2 | +OBSB1 + F0 <->{0.00065}{0.004} sp_8 | +OBSB1 + sp_4 <->{0.00065}{0.004} sp_7 | +sp_10 + F1 ->{0.00042} sp_12 + sp_11 | +sp_12 <->{0.004}{0.00065} sp_13 + sp_4 | +sp_13 + F0 <->{0.00065}{0.004} sp_14 | +FluorescingFeedforward + sp_11 ->{0.00042} sp_16 + sp_15 | +sp_7 <->{0.04}{0.00042} sp_10 + sp_9 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Fluorescent Catalytic.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Fluorescent Catalytic.crn new file mode 100644 index 0000000..4461418 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Fluorescent Catalytic.crn @@ -0,0 +1,18 @@ +directive sample 0.0,7000.0 1000 +directive plot sum(Fuel); Reporter; sp_7 +directive scale 500.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Catalyst 10.0 | +init Fuel 15.0 | +init Reporter 10.0 | +init Substrate 10.0 | +Reporter + Fuel <->{0.0003}{0.1126} sp_0 | +Substrate + Catalyst <->{0.00065}{0.004} sp_1 | +sp_3 + Fuel ->{0.00042} sp_5 + sp_4 | +sp_5 <->{0.004}{0.00065} sp_6 + Catalyst | +Reporter + sp_4 ->{0.0003} sp_8 + sp_7 | +sp_1 <->{0.04}{0.00042} sp_3 + sp_2 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Independent Input.crn b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Independent Input.crn new file mode 100644 index 0000000..8c843a4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/Zhang, Science 2007 - Independent Input.crn @@ -0,0 +1,16 @@ +directive plot sum(fuel); sp_1 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init catalyst 10.0 | +init fuel 100.0 | +init substrate 100.0 | +substrate ->{0.1126} sp_2 + sp_1 | +sp_2 + fuel ->{0.0003} sp_4 + sp_3 | +sp_2 + catalyst <->{0.0003}{0.1126} sp_5 | +sp_5 + fuel ->{0.0003} sp_6 + sp_3 | +sp_6 <->{0.1126}{0.0003} sp_4 + catalyst | +sp_0 ->{0.1126} sp_5 + sp_1 | +substrate + catalyst <->{0.0003}{0.1126} sp_0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/crns/genereateCrns.sh b/ClassicDSD/ClassicDSDTests/testData/crns/genereateCrns.sh new file mode 100644 index 0000000..6f44df6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/crns/genereateCrns.sh @@ -0,0 +1,11 @@ +#!/bin/bash +SAVEIFS=$IFS +IFS=$(echo -en "\n\b") +SUFFIX=".vdsd" +for f in ../visualDsd/*.vdsd +do + crn=${f%$SUFFIX} + # TODO: make the script generate the .crn files in the current folder instead of ../visualDsd + ../../../../DSD/DNAFS/bin/Debug/dnafs.exe -crn $crn $f + done + IFS=$SAVEIFS diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks.crn new file mode 100644 index 0000000..e95a673 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks.crn @@ -0,0 +1,24 @@ +directive sample 0.0,18000.0 1000 +directive plot sp_3 +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 + ; c = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init AND 1.0 | +init REPORTER 1.0 | +init STRAND_1 in2 | +init STRAND in1 | +AND + STRAND_1 ->{(1E-09 * c)} sp_2 + sp_1 + sp_0 | +REPORTER + sp_1 <->{(c * 5E-05)}{(1E-09 * c)} sp_4 + sp_3 | +AND + STRAND ->{(c * 5E-05)} sp_8 + sp_6 + sp_5 | +sp_2 + STRAND ->{(c * 5E-05)} sp_7 + sp_6 + sp_5 | +sp_8 + STRAND_1 ->{(c * 5E-05)} sp_7 + sp_0 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..ce5796e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..46c5717 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,62 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.181194915919424 2.05166503023261E-12 1.43236344208738E-06 +22.4681695740086 3.09685949152623E-08 0.000175978958845109 +42.4359486869537 1.08671109290241E-07 0.00032965299555871 +62.4037277998988 2.31206523730002E-07 0.00048083933935728 +82.3715069128438 3.96393779077869E-07 0.000629597984391501 +102.339286025789 6.02147010041699E-07 0.000775981087050888 +140.248521489665 1.09736626365589E-06 0.00104755193639417 +178.157756953541 1.71921900639992E-06 0.00131118879292264 +216.066992417416 2.45630988333149E-06 0.00156725998158354 +253.976227881292 3.29802290636423E-06 0.00181604295913096 +324.498301502674 5.10976028019098E-06 0.00226047211231213 +395.020375124056 7.19896397596174E-06 0.0026830788566271 +465.542448745438 9.52200477920115E-06 0.00308575989192713 +536.06452236682 1.20376137566174E-05 0.00346950556311306 +631.029530326015 1.56767163299358E-05 0.00395935229178977 +725.99453828521 1.9550995227177E-05 0.00442160751150106 +820.959546244405 2.36140917822678E-05 0.00485937590199987 +915.9245542036 2.78176301348118E-05 0.00527416877946331 +1050.86670595867 3.39775698906828E-05 0.00582892918257094 +1185.80885771375 4.03073734546245E-05 0.00634868086851668 +1320.75100946882 4.6768606160592E-05 0.00683859772600128 +1455.69316122389 5.33011088132898E-05 0.00730056626605697 +1625.97033458933 6.16267903732226E-05 0.007850031370124 +1796.24750795477 7.00189710242814E-05 0.00836744096889713 +1966.52468132022 7.84651733272865E-05 0.00885770944115132 +2136.80185468566 8.69252906292181E-05 0.0093229681230318 +2372.38303427963 9.8653555087043E-05 0.00993195965371949 +2607.96421387361 0.000110405118395949 0.010506803943435 +2843.54539346759 0.000122183110411316 0.0110529716230001 +3079.12657306156 0.000133951452780067 0.0115729646067188 +3398.11870116784 0.000149890638318053 0.0122420656392048 +3717.11082927411 0.000165834353815347 0.0128766009793906 +4036.10295738038 0.000181786596781238 0.0134816004396536 +4355.09508548665 0.00019773181823162 0.0140603243333744 +4873.00140442919 0.000223615869462501 0.0149521190941426 +5390.90772337173 0.000249503372777543 0.0157937051018599 +5908.81404231427 0.000275399937508361 0.0165928928274361 +6426.72036125681 0.000301286175112324 0.0173549820441569 +7208.67608028535 0.000340098640206673 0.0184386272027394 +7990.6317993139 0.000379150497306439 0.0194680954951128 +8772.58751834245 0.000418728156536801 0.0204585635680447 +9554.543237371 0.000457702925493731 0.0213890961362496 +9906.45704896076 0.000475132076647961 0.0217923455864141 +10258.3708605505 0.000492663933334451 0.0221905659139924 +10610.2846721403 0.000510407024876147 0.0225864231241935 +10962.19848373 0.000527972271188074 0.0229715806262636 +11346.2633575658 0.000547132597397043 0.023384465854877 +11730.3282314016 0.000566314639592697 0.023790626879544 +12114.3931052374 0.00058554492618793 0.02419095002945 +12498.4579790732 0.000604731857170257 0.0245838596756323 +13031.8557285597 0.000631320071669576 0.025118150939842 +13565.2534780462 0.000657958475394623 0.0256422613285038 +14098.6512275326 0.000684716087697526 0.0261581201843094 +14632.0489770191 0.000711352830162574 0.0266617105098978 +15191.644167459 0.000738908075519057 0.0271728189626139 +15751.2393578988 0.000766785569935644 0.0276802747425921 +16310.8345483386 0.000795419464428777 0.0281919629026498 +16870.4297387784 0.00082328179362424 0.0286810739114233 +17305.0626790293 0.000844405320200717 0.0290463818720324 +17739.6956192802 0.000865957280005651 0.0294144080000747 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..e2e9118 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,113 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.0208138301850468 0 0 +20.514821195508 0 0 +43.0957946756245 0 0 +74.9480983322798 0 0 +106.800401988935 0 0 +133.214471737664 0 0 +159.628541486394 0 0 +186.042611235123 0 0 +212.456680983852 0 0 +250.56587382036 0 0 +288.675066656868 0 0 +326.784259493376 0 0 +364.893452329884 0 0 +414.451485923834 0 0 +464.009519517783 0 0 +513.567553111733 0 0 +563.125586705683 0 0 +617.45994535007 0 0 +671.794303994456 0 0 +726.128662638843 0 0 +780.46302128323 0 0 +840.810942168437 0 0 +901.158863053643 0 0 +961.50678393885 0 0 +1021.85470482406 0 0 +1084.27615688743 0 0 +1146.6976089508 0 0 +1209.11906101418 0 0 +1271.54051307755 0 0 +1336.65527677054 0 0 +1401.77004046353 0 0 +1466.88480415652 0 0 +1531.99956784951 0 0 +1597.91029424268 0 0 +1663.82102063585 0 0 +1729.73174702902 0 0 +1795.64247342219 0 0 +1862.69026601113 0 0 +1929.73805860008 0 0 +1996.78585118902 0 0 +2063.83364377797 0 0 +2131.16787106419 0 0 +2198.50209835042 0 0 +2265.83632563664 0 0 +2333.17055292287 0 0 +2400.97539109047 0 0 +2468.78022925808 0 0 +2536.58506742569 0 0 +2604.38990559329 0 0 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0 +9966.24140262689 0 0 +10453.4600884439 0 0 +11214.0278523364 0 0 +11974.595616229 0 0 +12735.1633801216 0 0 +13495.7311440142 0 0 +13858.3335969865 0 0 +14220.9360499589 0 0 +14583.5385029313 0 0 +14946.1409559037 0 0 +15342.3487476586 0 0 +15738.5565394136 0 0 +16134.7643311685 0 0 +16530.9721229234 0 0 +17057.2788613447 0 0 +17583.5855997659 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..fa0478e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,133 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.0208138301850468 5.05555594387618E-14 2.24845634689133E-07 +19.4973941120893 1.86328270194449E-05 0.00431653562908986 +40.4498794494929 0.000159892497195396 0.0126438495556036 +61.3682921656607 0.000536909805387113 0.0231650929902729 +85.9516767152448 0.00140913414025946 0.0375119778368752 +105.039017789853 0.00248233682562657 0.0497611779353213 +128.027537078698 0.00430792337873428 0.0654932452616088 +154.917234581779 0.00726337676984278 0.0849153703857087 +185.34049322225 0.0117630216281885 0.107817683848074 +219.297313000111 0.0183134328840385 0.134082254829042 +258.354070670125 0.0278939683401568 0.164669046485352 +280.432418451209 0.034277311516967 0.181940587643703 +302.510766232293 0.041347545781044 0.199092757876645 +324.589114013377 0.0490910917206978 0.216058224639489 +352.049212303094 0.0596300426255883 0.236800128044853 +379.509310592812 0.0711310846266996 0.25704367999725 +406.96940888253 0.0835400334341348 0.27669675865098 +434.429507172247 0.0968025443760202 0.295688707559739 +469.055811206753 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+15958.7428304347 0.999980594520155 0.0044051223901558 +16767.4486768688 0.999979650966659 0.00451094438643196 +17576.1545233028 0.999979834125881 0.00449059767248083 +17882.2713732687 0.999980010307445 0.00447093871213285 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..a7c8c7b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_3 = 0 +0 1 +18000 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..2ab9fd8 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,63 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.181194915919424 0.999999999997948 2.05166503023261E-12 +22.4681695740086 0.999999969031405 3.09685949152623E-08 +42.4359486869537 0.999999891328891 1.08671109290241E-07 +62.4037277998988 0.999999768793476 2.31206523730002E-07 +82.3715069128438 0.999999603606221 3.96393779077869E-07 +102.339286025789 0.99999939785299 6.02147010041699E-07 +140.248521489665 0.999998902633736 1.09736626365589E-06 +178.157756953541 0.999998280780994 1.71921900639992E-06 +216.066992417416 0.999997543690117 2.45630988333149E-06 +253.976227881292 0.999996701977094 3.29802290636423E-06 +324.498301502674 0.99999489023972 5.10976028019098E-06 +395.020375124056 0.999992801036024 7.19896397596174E-06 +465.542448745438 0.999990477995221 9.52200477920115E-06 +536.06452236682 0.999987962386243 1.20376137566174E-05 +631.029530326015 0.99998432328367 1.56767163299358E-05 +725.99453828521 0.999980449004773 1.9550995227177E-05 +820.959546244405 0.999976385908218 2.36140917822678E-05 +915.9245542036 0.999972182369865 2.78176301348118E-05 +1050.86670595867 0.999966022430109 3.39775698906828E-05 +1185.80885771375 0.999959692626545 4.03073734546245E-05 +1320.75100946882 0.999953231393839 4.6768606160592E-05 +1455.69316122389 0.999946698891187 5.33011088132898E-05 +1625.97033458933 0.999938373209627 6.16267903732226E-05 +1796.24750795477 0.999929981028976 7.00189710242814E-05 +1966.52468132022 0.999921534826673 7.84651733272865E-05 +2136.80185468566 0.999913074709371 8.69252906292181E-05 +2372.38303427963 0.999901346444913 9.8653555087043E-05 +2607.96421387361 0.999889594881604 0.000110405118395949 +2843.54539346759 0.999877816889588 0.000122183110411316 +3079.12657306156 0.99986604854722 0.000133951452780067 +3398.11870116784 0.999850109361682 0.000149890638318053 +3717.11082927411 0.999834165646184 0.000165834353815347 +4036.10295738038 0.999818213403218 0.000181786596781238 +4355.09508548665 0.999802268181768 0.00019773181823162 +4873.00140442919 0.999776384130537 0.000223615869462501 +5390.90772337173 0.999750496627222 0.000249503372777543 +5908.81404231427 0.999724600062491 0.000275399937508361 +6426.72036125681 0.999698713824887 0.000301286175112324 +7208.67608028535 0.999659901359793 0.000340098640206673 +7990.6317993139 0.999620849502693 0.000379150497306439 +8772.58751834245 0.999581271843463 0.000418728156536801 +9554.543237371 0.999542297074506 0.000457702925493731 +9906.45704896076 0.999524867923352 0.000475132076647961 +10258.3708605505 0.999507336066665 0.000492663933334451 +10610.2846721403 0.999489592975123 0.000510407024876147 +10962.19848373 0.999472027728812 0.000527972271188074 +11346.2633575658 0.999452867402603 0.000547132597397043 +11730.3282314016 0.999433685360407 0.000566314639592697 +12114.3931052374 0.999414455073812 0.00058554492618793 +12498.4579790732 0.999395268142829 0.000604731857170257 +13031.8557285597 0.99936867992833 0.000631320071669576 +13565.2534780462 0.999342041524605 0.000657958475394623 +14098.6512275326 0.999315283912302 0.000684716087697526 +14632.0489770191 0.999288647169837 0.000711352830162574 +15191.644167459 0.999261091924481 0.000738908075519057 +15751.2393578988 0.999233214430064 0.000766785569935644 +16310.8345483386 0.999204580535571 0.000795419464428777 +16870.4297387784 0.999176718206375 0.00082328179362424 +17305.0626790293 0.999155594679799 0.000844405320200717 +17739.6956192802 0.999134042719994 0.000865957280005651 +18174.328559531 0.999111494283144 0.000888505716855208 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..a14020d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,114 @@ +Time sp_3 = 0 +0 1 +0.0208138301850468 1 +20.514821195508 1 +43.0957946756245 1 +74.9480983322798 1 +106.800401988935 1 +133.214471737664 1 +159.628541486394 1 +186.042611235123 1 +212.456680983852 1 +250.56587382036 1 +288.675066656868 1 +326.784259493376 1 +364.893452329884 1 +414.451485923834 1 +464.009519517783 1 +513.567553111733 1 +563.125586705683 1 +617.45994535007 1 +671.794303994456 1 +726.128662638843 1 +780.46302128323 1 +840.810942168437 0.999999999999999 +901.158863053643 1 +961.50678393885 0.999999999999999 +1021.85470482406 1 +1084.27615688743 1 +1146.6976089508 0.999999999999999 +1209.11906101418 1 +1271.54051307755 1 +1336.65527677054 1 +1401.77004046353 1 +1466.88480415652 1 +1531.99956784951 1 +1597.91029424268 1 +1663.82102063585 1 +1729.73174702902 1 +1795.64247342219 0.999999999999999 +1862.69026601113 0.999999999999999 +1929.73805860008 0.999999999999999 +1996.78585118902 0.999999999999999 +2063.83364377797 1 +2131.16787106419 0.999999999999999 +2198.50209835042 0.999999999999999 +2265.83632563664 1 +2333.17055292287 1 +2400.97539109047 1 +2468.78022925808 1 +2536.58506742569 1 +2604.38990559329 1 +2672.29285394552 1 +2740.19580229774 1 +2808.09875064997 1 +2876.00169900219 1 +2944.0985578557 1 +3012.19541670921 1 +3080.29227556272 1 +3148.38913441623 1 +3220.49705077447 1 +3292.6049671327 1 +3364.71288349093 1 +3436.82079984916 1 +3517.45974987285 1 +3598.09869989654 1 +3678.73764992022 1 +3759.37659994391 1 +3849.18569701695 1 +3938.99479409 1 +4028.80389116304 1 +4118.61298823609 1 +4222.36870172129 1 +4326.1244152065 1 +4429.8801286917 1 +4533.63584217691 1 +4654.33005606409 1 +4775.02426995127 1 +4895.71848383845 1 +5016.41269772563 1 +5161.7985596517 1 +5307.18442157777 1 +5452.57028350384 1 +5597.95614542991 1 +5776.97317681544 1 +5955.99020820097 1 +6135.0072395865 1 +6314.02427097203 1 +6545.44604104129 1 +6776.86781111054 1 +7008.28958117979 1 +7239.71135124905 1 +7555.92984973077 1 +7872.1483482125 1 +8188.36684669423 1 +8504.58534517596 1 +8991.80403099293 1 +9479.02271680991 1 +9966.24140262689 1 +10453.4600884439 1 +11214.0278523364 1 +11974.595616229 1 +12735.1633801216 1 +13495.7311440142 1 +13858.3335969865 1 +14220.9360499589 1 +14583.5385029313 1 +14946.1409559037 1 +15342.3487476586 1 +15738.5565394136 1 +16134.7643311685 1 +16530.9721229234 1 +17057.2788613447 1 +17583.5855997659 1 +18109.8923381872 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..3ff2ea6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,134 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.0208138301850468 0.999999999999949 5.05555594387618E-14 +19.4973941120893 0.99998136717298 1.86328270194449E-05 +40.4498794494929 0.999840107502805 0.000159892497195396 +61.3682921656607 0.999463090194613 0.000536909805387113 +85.9516767152448 0.99859086585974 0.00140913414025946 +105.039017789853 0.997517663174373 0.00248233682562657 +128.027537078698 0.995692076621266 0.00430792337873428 +154.917234581779 0.992736623230157 0.00726337676984278 +185.34049322225 0.988236978371812 0.0117630216281885 +219.297313000111 0.981686567115961 0.0183134328840385 +258.354070670125 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3.33665636068256E-05 0.999966633436394 +6617.15156463372 2.99997773757442E-05 0.999970000222625 +6765.90347238994 2.71574146413519E-05 0.999972842585359 +6914.65538014616 2.51171387235512E-05 0.999974882861277 +7063.40728790238 2.36941130834181E-05 0.999976305886917 +7212.1591956586 2.26306667967518E-05 0.999977369333204 +7392.43432879117 2.17299009179817E-05 0.999978270099082 +7572.70946192373 2.11327476226861E-05 0.999978867252378 +7752.98459505629 2.07737008175262E-05 0.999979226299183 +7933.25972818886 2.05025565895452E-05 0.999979497443411 +8154.41985078461 2.02864436270431E-05 0.999979713556373 +8375.57997338037 2.01583780742845E-05 0.999979841621926 +8596.74009597612 2.01089964022885E-05 0.999979891003598 +8817.90021857187 2.00596202146025E-05 0.999979940379786 +9108.35407556707 2.00184161439506E-05 0.999979981583856 +9398.80793256227 1.99988144013375E-05 0.999980001185599 +9689.26178955747 2.00084276785295E-05 0.999979991572322 +9979.71564655266 2.0002094396023E-05 0.999979997905604 +10384.5055095172 1.9996432203775E-05 0.999980003567797 +10789.2953724817 1.99945758540333E-05 0.999980005424146 +11194.0852354462 2.00009098357639E-05 0.999979999090164 +11598.8750984107 2.00001490498367E-05 0.99997999985095 +12284.4891081997 1.99801172693511E-05 0.999980019882731 +12970.1031179887 1.99764043977809E-05 0.999980023595603 +13655.7171277777 2.0010728564299E-05 0.999979989271436 +14341.3311375666 2.00056818119997E-05 0.999979994318188 +15150.0369840007 1.94779831897685E-05 0.99998052201681 +15958.7428304347 1.94054798452042E-05 0.999980594520155 +16767.4486768688 2.03490333410256E-05 0.999979650966659 +17576.1545233028 2.01658741187249E-05 0.999979834125881 +17882.2713732687 1.9989692555586E-05 0.999980010307445 +18188.3882232346 1.99194801725304E-05 0.999980080519828 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..ce5796e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..b8125a9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,58 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.0316543993650697 8.3495678078165E-14 2.88956187125588E-07 +18.7520880764432 2.16361702802775E-08 0.000147092385296295 +36.8428253949496 8.22774127002918E-08 0.000286840384065283 +59.528992000384 2.10836017957694E-07 0.000459168785421949 +79.3378644144096 3.68512362475733E-07 0.000607052079046247 +105.703473597478 6.40397298254127E-07 0.000800248016645732 +127.967677291614 9.22077064198614E-07 0.000960247996078358 +154.90736376152 1.3227787647953E-06 0.00115012043502045 +187.504384390106 1.88950569582188E-06 0.00137459162138801 +206.286477228482 2.25418071291235E-06 0.00150139123201838 +226.946779350695 2.68564082409836E-06 0.00163879028903387 +249.67311168513 3.19507932004442E-06 0.00178747562543173 +274.672077253008 3.79527553015455E-06 0.00194814299424816 +302.170939377674 4.5007422412412E-06 0.00212149051012737 +332.419687714806 5.32786703353036E-06 0.00230821113578529 +365.693310885652 6.29504191288356E-06 0.0025089843134884 +402.294296373582 7.42277510990677E-06 0.0027244669225954 +442.555380410305 8.73377886211678E-06 0.00295528384139723 +486.842572850701 1.0253027615541E-05 0.00320201850259577 +535.558484535136 1.20077826130729E-05 0.00346520395160654 +589.145987388015 1.40275814965573E-05 0.0037453150366177 +648.092240526182 1.63441954876455E-05 0.00404276246580471 +712.933118978165 1.89915619437935E-05 0.00435788954246989 +784.258085275346 2.20057064132294E-05 0.00469097241114405 +862.715548202246 2.54246752529463E-05 0.00504222459226427 +949.018757421836 2.92885066085165E-05 0.00541180642594477 +1043.95228756338 3.36392729381011E-05 0.00579983976825371 +1148.37917071909 3.85212309203004E-05 0.00620642788043725 +1263.24874219036 4.39811131271977E-05 0.00663167993715663 +1389.60527080876 5.00685892031731E-05 0.00707573899600234 +1528.597452289 5.68369121414348E-05 0.00753881169063487 +1681.48885191727 6.43437484169172E-05 0.00802119743548037 +1849.66939150836 7.26521714334445E-05 0.00852331467771961 +2034.66798505856 8.1831779496003E-05 0.00904572180955547 +2238.16643796379 9.1959886591278E-05 0.00958913082456049 +2462.01473615953 0.000103122730627039 0.0101544126531014 +2708.24786417485 0.000115416651820464 0.0107425942312342 +2979.1043049917 0.000128949213251166 0.0113548485393495 +3277.04638989023 0.000143840262574273 0.0119924798333429 +3604.78268327862 0.000160222962267347 0.0126569068444746 +3965.29260600585 0.000178244838456431 0.013349646708209 +4361.8535210058 0.000198068909784603 0.0140723018192327 +4798.07052750575 0.000219874956042291 0.0148265508816446 +5277.90923465569 0.000243860973841143 0.0156141444103281 +5805.73181252062 0.000270244849249802 0.0164369041176024 +6386.33664817205 0.000299266261613903 0.0172967251616762 +7025.00196738862 0.000331188823507777 0.018195580163077 +7727.53381852684 0.000366302460287262 0.01913552410557 +8500.31885477889 0.000404926037266118 0.0201186995645957 +9350.38239465615 0.000447410249832632 0.0211473420055802 +10285.4522885211 0.000494140798928761 0.0222237850916444 +11314.0291717726 0.000545541879775148 0.0233504660303078 +12445.4637433492 0.000602080015558775 0.0245299310071113 +13690.0417720835 0.00066426827078651 0.025764840741812 +15059.0776036912 0.000732670881940748 0.0270579761866904 +16565.0170184597 0.000807908346391512 0.0284122443762428 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..d94f8b4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,61 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.0155737432480832 0 0 +18.1264125917381 0 0 +39.0336747821761 0 0 +57.2214809909984 0 0 +76.2133402891701 0 0 +101.491505015037 0 0 +122.837425929015 0 0 +148.665990234929 0 0 +179.918553045086 0 0 +197.925982092842 0 0 +217.734154045375 0 0 +239.52314319316 0 0 +263.491031255724 0 0 +289.855708124545 0 0 +318.856852680247 0 0 +350.75811169152 0 0 +385.84949660392 0 0 +424.450020007561 0 0 +466.910595751565 0 0 +513.617229069969 0 0 +564.994525720214 0 0 +621.509552035484 0 0 +683.676080982281 0 0 +752.059262823757 0 0 +827.28076284938 0 0 +910.024412877567 0 0 +1001.04242790857 0 0 +1101.16224444268 0 0 +1209.09946566875 0 0 +1327.83040901742 0 0 +1458.43444670097 0 0 +1596.09004519523 0 0 +1747.51120353891 0 0 +1914.07447771696 0 0 +2097.29407931282 0 0 +2298.83564106826 0 0 +2520.53135899925 0 0 +2736.75123382592 0 0 +2974.59309613527 0 0 +3236.21914467555 0 0 +3524.00779806985 0 0 +3840.57531680359 0 0 +4188.7995874107 0 0 +4571.84628507852 0 0 +4993.19765251312 0 0 +5456.68415669119 0 0 +5966.51931128706 0 0 +6527.33798134251 0 0 +7144.23851840352 0 0 +7822.82910917062 0 0 +8569.27875901444 0 0 +9390.37337384263 0 0 +10293.5774501536 0 0 +11287.1019340958 0 0 +12379.9788664321 0 0 +13582.1434920021 0 0 +14904.524580129 0 0 +16359.1437770687 0 0 +17959.2248937023 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..0f3d28d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,66 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.0221421593069289 1.16232073837502E-13 3.40928253210978E-07 +19.3074060976781 1.8195097146787E-05 0.00426553233315923 +37.8347388708437 0.000132096390056781 0.0114925602282744 +61.0684053956672 0.000531465931571624 0.0230474179797912 +81.355338128939 0.00120931278167788 0.0347541413974501 +108.357245596924 0.00271588229347684 0.052043311547641 +131.158765706822 0.00461530508442208 0.0677790826391136 +158.7486050398 0.00777169612464835 0.0878139901382147 +192.132310632702 0.0129466297749168 0.113044303493754 +211.367683855279 0.0166377013342288 0.127909687782208 +232.526594400114 0.0213110697249174 0.144419209359756 +255.801395999432 0.027197306918014 0.16265796449735 +281.403677758683 0.0345689578096832 0.182685371515169 +309.566187693858 0.0437436156792018 0.204524110477254 +340.544948622551 0.0550855871308133 0.228147244605905 +374.621585644113 0.0690039466868199 0.253460849103885 +412.105886367831 0.0859457437305308 0.280283914745632 +453.338617163921 0.106383543595503 0.308327885938925 +498.69462103962 0.130796506429985 0.337177668797469 +548.586225302889 0.159644354797817 0.366275899806424 +603.466989992485 0.193329798877173 0.394909341169951 +663.83583115104 0.232151337064209 0.422205037586608 +730.241556425451 0.276247940980293 0.447140935370988 +800.122466673281 0.32340591783374 0.467776153885441 +875.676888721914 0.374380041345322 0.483962422082125 +949.845460887321 0.423635950774708 0.494134123478552 +1021.80562263319 0.470085528842677 0.499104322176614 +1100.96180055366 0.519120133528983 0.499634286747651 +1188.03359626616 0.570069173166356 0.495065966283063 +1283.81257154992 0.62206919433609 0.48487020097562 +1389.16944436205 0.67408755432038 0.468714757001258 +1505.0620044554 0.724978570960677 0.446525075005303 +1615.22998531229 0.767388599987043 0.422496552171694 +1736.41476425488 0.807719237700203 0.394092464720154 +1869.71802109172 0.845097503964645 0.361811708983239 +2011.45065047283 0.877745684979669 0.327579299527978 +2167.35654279205 0.906457336440457 0.291191403811529 +2338.8530243432 0.930861998687874 0.25368866369369 +2527.49915404946 0.95083445511828 0.216213538147369 +2735.00989672635 0.966516772397531 0.179894694395889 +2963.27171367092 0.97828559132964 0.145749418957528 +3169.37173315584 0.98543407881885 0.119807158055328 +3396.08175458924 0.99067137893611 0.0961332299100374 +3645.25789889359 0.994305452143803 0.0752470596163763 +3919.35165762837 0.99669749242103 0.0573724761768308 +4220.85479223664 0.998185237238451 0.0425613603832014 +4533.98508233214 0.999036178231666 0.0310305142711669 +4878.42840143719 0.999542696721936 0.021379760330173 +5257.31605245275 0.999823231999116 0.0132942376222815 +5674.09246856987 0.999963256366087 0.00606154137318977 +6080.62679782798 0.999992075550096 0.0028150287932325 +6527.81456001191 0.999983275350041 0.00408954401428849 +7019.72109841422 0.999976403807742 0.0048575338885124 +7560.81829065677 0.999976260192056 0.00487229354258976 +8156.02520212358 0.999978337686761 0.00465422861307636 +8810.75280473706 0.999979308130762 0.00454878457228681 +9530.95316761189 0.999979730795058 0.00450208774916918 +10323.1735667742 0.999979902319732 0.00448299858922511 +11194.6160058528 0.999979967117834 0.00447576595122451 +12153.2026888392 0.999979989880899 0.00447322240624777 +13207.6480401242 0.999979997307984 0.00447239219077752 +14367.5379265377 0.99997999955595 0.00447214087790157 +15643.4168015927 0.99998000018633 0.00447207040166788 +17046.883564153 0.999980000349904 0.00447205211391113 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..a7c8c7b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_3 = 0 +0 1 +18000 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..d57141e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,59 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.0316543993650697 0.999999999999917 8.3495678078165E-14 +18.7520880764432 0.99999997836383 2.16361702802775E-08 +36.8428253949496 0.999999917722588 8.22774127002918E-08 +59.528992000384 0.999999789163982 2.10836017957694E-07 +79.3378644144096 0.999999631487638 3.68512362475733E-07 +105.703473597478 0.999999359602702 6.40397298254127E-07 +127.967677291614 0.999999077922936 9.22077064198614E-07 +154.90736376152 0.999998677221235 1.3227787647953E-06 +187.504384390106 0.999998110494305 1.88950569582188E-06 +206.286477228482 0.999997745819287 2.25418071291235E-06 +226.946779350695 0.999997314359176 2.68564082409836E-06 +249.67311168513 0.99999680492068 3.19507932004442E-06 +274.672077253008 0.99999620472447 3.79527553015455E-06 +302.170939377674 0.999995499257759 4.5007422412412E-06 +332.419687714806 0.999994672132967 5.32786703353036E-06 +365.693310885652 0.999993704958087 6.29504191288356E-06 +402.294296373582 0.99999257722489 7.42277510990677E-06 +442.555380410305 0.999991266221138 8.73377886211678E-06 +486.842572850701 0.999989746972385 1.0253027615541E-05 +535.558484535136 0.999987992217387 1.20077826130729E-05 +589.145987388015 0.999985972418504 1.40275814965573E-05 +648.092240526182 0.999983655804513 1.63441954876455E-05 +712.933118978165 0.999981008438057 1.89915619437935E-05 +784.258085275346 0.999977994293587 2.20057064132294E-05 +862.715548202246 0.999974575324748 2.54246752529463E-05 +949.018757421836 0.999970711493392 2.92885066085165E-05 +1043.95228756338 0.999966360727062 3.36392729381011E-05 +1148.37917071909 0.99996147876908 3.85212309203004E-05 +1263.24874219036 0.999956018886873 4.39811131271977E-05 +1389.60527080876 0.999949931410797 5.00685892031731E-05 +1528.597452289 0.999943163087859 5.68369121414348E-05 +1681.48885191727 0.999935656251584 6.43437484169172E-05 +1849.66939150836 0.999927347828567 7.26521714334445E-05 +2034.66798505856 0.999918168220504 8.1831779496003E-05 +2238.16643796379 0.999908040113409 9.1959886591278E-05 +2462.01473615953 0.999896877269373 0.000103122730627039 +2708.24786417485 0.99988458334818 0.000115416651820464 +2979.1043049917 0.999871050786749 0.000128949213251166 +3277.04638989023 0.999856159737426 0.000143840262574273 +3604.78268327862 0.999839777037733 0.000160222962267347 +3965.29260600585 0.999821755161544 0.000178244838456431 +4361.8535210058 0.999801931090216 0.000198068909784603 +4798.07052750575 0.999780125043958 0.000219874956042291 +5277.90923465569 0.999756139026159 0.000243860973841143 +5805.73181252062 0.999729755150751 0.000270244849249802 +6386.33664817205 0.999700733738387 0.000299266261613903 +7025.00196738862 0.999668811176493 0.000331188823507777 +7727.53381852684 0.999633697539713 0.000366302460287262 +8500.31885477889 0.999595073962735 0.000404926037266118 +9350.38239465615 0.999552589750168 0.000447410249832632 +10285.4522885211 0.999505859201072 0.000494140798928761 +11314.0291717726 0.999454458120226 0.000545541879775148 +12445.4637433492 0.999397919984442 0.000602080015558775 +13690.0417720835 0.999335731729214 0.00066426827078651 +15059.0776036912 0.99926732911806 0.000732670881940748 +16565.0170184597 0.999192091653609 0.000807908346391512 +18221.5503747051 0.999109336985671 0.000890663014329346 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..33caf3f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,62 @@ +Time sp_3 = 0 +0 1 +0.0155737432480832 1 +18.1264125917381 1 +39.0336747821761 1 +57.2214809909984 1 +76.2133402891701 1 +101.491505015037 1 +122.837425929015 1 +148.665990234929 1 +179.918553045086 1 +197.925982092842 1 +217.734154045375 1 +239.52314319316 1 +263.491031255724 1 +289.855708124545 1 +318.856852680247 1 +350.75811169152 1 +385.84949660392 1 +424.450020007561 1 +466.910595751565 1 +513.617229069969 1 +564.994525720214 1 +621.509552035484 1 +683.676080982281 1 +752.059262823757 1 +827.28076284938 1 +910.024412877567 1 +1001.04242790857 1 +1101.16224444268 1 +1209.09946566875 1 +1327.83040901742 1 +1458.43444670097 1 +1596.09004519523 1 +1747.51120353891 1 +1914.07447771696 1 +2097.29407931282 1 +2298.83564106826 1 +2520.53135899925 1 +2736.75123382592 1 +2974.59309613527 1 +3236.21914467555 1 +3524.00779806985 1 +3840.57531680359 1 +4188.7995874107 1 +4571.84628507852 1 +4993.19765251312 1 +5456.68415669119 1 +5966.51931128706 1 +6527.33798134251 1 +7144.23851840352 1 +7822.82910917062 1 +8569.27875901444 1 +9390.37337384263 1 +10293.5774501536 1 +11287.1019340958 1 +12379.9788664321 1 +13582.1434920021 1 +14904.524580129 1 +16359.1437770687 1 +17959.2248937023 1 +19719.3141219993 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..435c2d7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,67 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.0221421593069289 0.999999999999884 1.16232073837502E-13 +19.3074060976781 0.999981804902853 1.8195097146787E-05 +37.8347388708437 0.999867903609944 0.000132096390056781 +61.0684053956672 0.999468534068429 0.000531465931571624 +81.355338128939 0.998790687218322 0.00120931278167788 +108.357245596924 0.997284117706523 0.00271588229347684 +131.158765706822 0.995384694915578 0.00461530508442208 +158.7486050398 0.992228303875352 0.00777169612464835 +192.132310632702 0.987053370225083 0.0129466297749168 +211.367683855279 0.983362298665771 0.0166377013342288 +232.526594400114 0.978688930275083 0.0213110697249174 +255.801395999432 0.972802693081986 0.027197306918014 +281.403677758683 0.965431042190317 0.0345689578096832 +309.566187693858 0.956256384320798 0.0437436156792018 +340.544948622551 0.944914412869187 0.0550855871308133 +374.621585644113 0.93099605331318 0.0690039466868199 +412.105886367831 0.914054256269469 0.0859457437305308 +453.338617163921 0.893616456404497 0.106383543595503 +498.69462103962 0.869203493570015 0.130796506429985 +548.586225302889 0.840355645202183 0.159644354797817 +603.466989992485 0.806670201122828 0.193329798877173 +663.83583115104 0.767848662935791 0.232151337064209 +730.241556425451 0.723752059019707 0.276247940980293 +800.122466673281 0.67659408216626 0.32340591783374 +875.676888721914 0.625619958654678 0.374380041345322 +949.845460887321 0.576364049225293 0.423635950774708 +1021.80562263319 0.529914471157323 0.470085528842677 +1100.96180055366 0.480879866471017 0.519120133528983 +1188.03359626616 0.429930826833644 0.570069173166356 +1283.81257154992 0.37793080566391 0.62206919433609 +1389.16944436205 0.32591244567962 0.67408755432038 +1505.0620044554 0.275021429039323 0.724978570960677 +1615.22998531229 0.232611400012957 0.767388599987043 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+6527.81456001191 1.67246499585425E-05 0.999983275350041 +7019.72109841422 2.35961922581268E-05 0.999976403807742 +7560.81829065677 2.37398079434731E-05 0.999976260192056 +8156.02520212358 2.16623132383868E-05 0.999978337686761 +8810.75280473706 2.06918692381744E-05 0.999979308130762 +9530.95316761189 2.0269204941634E-05 0.999979730795058 +10323.1735667742 2.00976802674975E-05 0.999979902319732 +11194.6160058528 2.00328821661664E-05 0.999979967117834 +12153.2026888392 2.00101191003395E-05 0.999979989880899 +13207.6480401242 2.00026920155428E-05 0.999979997307984 +14367.5379265377 2.00004440492666E-05 0.99997999955595 +15643.4168015927 1.99998136696542E-05 0.99998000018633 +17046.883564153 1.99996500951975E-05 0.999980000349904 +18590.6970029695 1.99996108668494E-05 0.999980000389133 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate.crn new file mode 100644 index 0000000..eec045a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate.crn @@ -0,0 +1,21 @@ +directive sample 0.0,18000.0 1000 +directive plot sp_4 +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c0 = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init AND 1.0 | +init REPORTER 1.0 | +init STRAND_1 in2 | +init STRAND in1 | +REPORTER + sp_2 ->{(c0 * 5E-05)} sp_5 + sp_4 | +sp_1 + STRAND_1 <->{(c0 * 5E-05)}{(c0 * 5E-05)} sp_3 + sp_2 | +AND + STRAND <->{(c0 * 5E-05)}{(c0 * 5E-05)} sp_1 + sp_0 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..492d2f2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_4 (Mean) sp_4 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..492d2f2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,3 @@ +Time sp_4 (Mean) sp_4 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..31295a2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,113 @@ +Time sp_4 (Mean) sp_4 (Std) +0 0 0 +0.0208138301850468 0 0 +22.5631458156687 0 0 +43.6057038562431 0 0 +64.5120764379597 0 0 +90.5956099881563 0 0 +121.856304506833 0 0 +159.362271329361 0 0 +181.237890892551 0 0 +203.113510455741 0 0 +224.989130018931 0 0 +252.372699933152 0 0 +279.756269847373 0 0 +307.139839761594 0 0 +334.523409675815 0 0 +368.135293371973 0 0 +401.747177068131 0 0 +435.359060764289 0 0 +468.970944460447 0 0 +508.619644056627 0 0 +548.268343652806 0 0 +587.917043248986 0 0 +627.565742845165 0 0 +674.575551413431 0 0 +721.585359981696 0 0 +768.595168549961 0 0 +815.604977118226 0 0 +871.04640434896 0 0 +926.487831579694 0 0 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+9739.92822981487 0 0 +9973.27119381953 0 0 +10206.6141578242 0 0 +10439.9571218289 0 0 +10673.3000858335 0 0 +10849.0183572346 0 0 +11024.7366286357 0 0 +11200.4549000368 0 0 +11376.1731714379 0 0 +11556.2933834142 0 0 +11736.4135953905 0 0 +11916.5338073669 0 0 +12096.6540193432 0 0 +12340.6079058402 0 0 +12584.5617923372 0 0 +12828.5156788341 0 0 +13072.4695653311 0 0 +13354.8320993352 0 0 +13637.1946333392 0 0 +13919.5571673432 0 0 +14201.9197013473 0 0 +14433.0010979842 0 0 +14664.0824946211 0 0 +14895.1638912581 0 0 +15126.245287895 0 0 +15314.08830252 0 0 +15501.931317145 0 0 +15689.77433177 0 0 +15877.617346395 0 0 +16067.8951301593 0 0 +16258.1729139237 0 0 +16448.4506976881 0 0 +16638.7284814524 0 0 +16872.8878081825 0 0 +17107.0471349125 0 0 +17341.2064616426 0 0 +17575.3657883726 0 0 +17835.7111499783 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..3348272 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,161 @@ +Time sp_4 (Mean) sp_4 (Std) +0 0 0 +0.0208138301850468 2.34799192522E-14 1.53231586992367E-07 +18.7551256602187 1.62084137910413E-05 0.00402593480801213 +41.1347185087316 0.000159683261696263 0.0126355752916991 +60.7056042009167 0.00048377952171397 0.021989667552929 +82.2946759688092 0.0011301927999541 0.0335993372581816 +108.915922736229 0.00242354198738545 0.0491697918606621 +128.340812247686 0.00374917687077274 0.0611156325629081 +152.824421174486 0.00590485440162501 0.0766158410259955 +177.308030101287 0.00861174896393943 0.0923990624612691 +208.87540495469 0.0129113284579769 0.112892099171852 +240.442779808093 0.0180935647874765 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/dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_sp_4_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,3 @@ +Time sp_4 = 0 +0 1 +18000 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_sp_4_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_sp_4_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..a8a30f0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_sp_4_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,114 @@ +Time sp_4 = 0 +0 1 +0.0208138301850468 1 +22.5631458156687 1 +43.6057038562431 1 +64.5120764379597 1 +90.5956099881563 1 +121.856304506833 1 +159.362271329361 1 +181.237890892551 1 +203.113510455741 1 +224.989130018931 1 +252.372699933152 1 +279.756269847373 1 +307.139839761594 1 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diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_sp_4_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_sp_4_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..128f78a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cme_sp_4_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,162 @@ +Time sp_4 = 0 sp_4 = 1 +0 1 0 +0.0208138301850468 0.999999999999977 2.34799192522E-14 +18.7551256602187 0.999983791586209 1.62084137910413E-05 +41.1347185087316 0.999840316738304 0.000159683261696263 +60.7056042009167 0.999516220478286 0.00048377952171397 +82.2946759688092 0.998869807200046 0.0011301927999541 +108.915922736229 0.997576458012615 0.00242354198738545 +128.340812247686 0.996250823129227 0.00374917687077274 +152.824421174486 0.994095145598375 0.00590485440162501 +177.308030101287 0.991388251036061 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0.000244575502348352 0.999755424497652 +17342.0312850056 0.000227596064720372 0.99977240393528 +17498.0979177416 0.000210612908201458 0.999789387091799 +17654.1645504776 0.000194933112818922 0.999805066887181 +17810.2311832136 0.000180524005155272 0.999819475994845 +17966.2978159496 0.000167089066154351 0.999832910933846 +18104.2283660661 0.000155971346447882 0.999844028653552 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..492d2f2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_4 (Mean) sp_4 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..492d2f2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,3 @@ +Time sp_4 (Mean) sp_4 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..bac1f32 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,61 @@ +Time sp_4 (Mean) sp_4 (Std) +0 0 0 +0.0155737432480832 0 0 +18.1264125917381 0 0 +39.0336747821761 0 0 +57.2214809909984 0 0 +76.2133402891701 0 0 +101.491505015037 0 0 +122.837425929015 0 0 +148.665990234929 0 0 +179.918553045086 0 0 +197.925982092842 0 0 +217.734154045375 0 0 +239.52314319316 0 0 +263.491031255724 0 0 +289.855708124545 0 0 +318.856852680247 0 0 +350.75811169152 0 0 +385.84949660392 0 0 +424.450020007561 0 0 +466.910595751565 0 0 +513.617229069969 0 0 +564.994525720214 0 0 +621.509552035484 0 0 +683.676080982281 0 0 +752.059262823757 0 0 +827.28076284938 0 0 +910.024412877567 0 0 +1001.04242790857 0 0 +1101.16224444268 0 0 +1211.29404263019 0 0 +1312.93070365421 0 0 +1424.73103078064 0 0 +1547.7113906197 0 0 +1682.98978644268 0 0 +1831.79602184795 0 0 +1995.48288079374 0 0 +2175.53842563412 0 0 +2373.59952495854 0 0 +2591.46673421539 0 0 +2831.12066439793 0 0 +3094.73998759873 0 0 +3384.7212431196 0 0 +3703.70062419257 0 0 +4054.57794337283 0 0 +4440.54299447111 0 0 +4865.10455067923 0 0 +5332.12226250815 0 0 +5845.84174551997 0 0 +6410.93317683297 0 0 +7032.53375127727 0 0 +7716.294383166 0 0 +8468.4310782436 0 0 +9295.78144282896 0 0 +10205.8668438729 0 0 +11206.9607850212 0 0 +12308.1641202843 0 0 +13519.4877890737 0 0 +14851.9438247421 0 0 +16317.6454639773 0 0 +17929.917267136 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..919ba77 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,63 @@ +Time sp_4 (Mean) sp_4 (Std) +0 0 0 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0.992532239391698 0.0860929332744539 +11265.8289972885 0.995476829274376 0.0671022477433601 +12202.3764433437 0.997156804952828 0.0532457631093391 +13232.5786340043 0.998257296381038 0.0417093107478257 +14365.8010437309 0.999003542599163 0.0315509821318692 +15612.3456944303 0.999492755788943 0.0225163699198362 +16983.5448101996 0.999758216900954 0.0155474962607832 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..b123035 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_4 = 0 +0 1 +18000 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..b123035 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,3 @@ +Time sp_4 = 0 +0 1 +18000 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..dfead8b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,62 @@ +Time sp_4 = 0 +0 1 +0.0155737432480832 1 +18.1264125917381 1 +39.0336747821761 1 +57.2214809909984 1 +76.2133402891701 1 +101.491505015037 1 +122.837425929015 1 +148.665990234929 1 +179.918553045086 1 +197.925982092842 1 +217.734154045375 0.999999999999999 +239.52314319316 0.999999999999999 +263.491031255724 1 +289.855708124545 0.999999999999999 +318.856852680247 1 +350.75811169152 1 +385.84949660392 0.999999999999999 +424.450020007561 0.999999999999999 +466.910595751565 0.999999999999999 +513.617229069969 0.999999999999999 +564.994525720214 0.999999999999999 +621.509552035484 1 +683.676080982281 1 +752.059262823757 1 +827.28076284938 1 +910.024412877567 0.999999999999999 +1001.04242790857 1 +1101.16224444268 0.999999999999999 +1211.29404263019 0.999999999999999 +1312.93070365421 1 +1424.73103078064 1 +1547.7113906197 1 +1682.98978644268 1 +1831.79602184795 1 +1995.48288079374 1 +2175.53842563412 1 +2373.59952495854 1 +2591.46673421539 1 +2831.12066439793 1 +3094.73998759873 1 +3384.7212431196 1 +3703.70062419257 1 +4054.57794337283 1 +4440.54299447111 1 +4865.10455067923 1 +5332.12226250815 1 +5845.84174551997 1 +6410.93317683297 1 +7032.53375127727 1 +7716.294383166 1 +8468.4310782436 1 +9295.78144282896 1 +10205.8668438729 1 +11206.9607850212 1 +12308.1641202843 1 +13519.4877890737 1 +14851.9438247421 1 +16317.6454639773 1 +17929.917267136 1 +19703.4162506106 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..7b85f12 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - AND gate_simulation/mysweep/cmestiff_sp_4_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,64 @@ +Time sp_4 = 0 sp_4 = 1 +0 1 0 +0.019762287978093 0.999999999999946 5.35892476113595E-14 +18.9752022491653 0.999983143793223 1.68562067777203E-05 +37.1647893043063 0.999880328112108 0.000119671887891723 +59.9749155668134 0.99953102924626 0.000468970753739556 +79.8920257926361 0.998956109179907 0.00104389082009337 +106.401699503206 0.997720463717548 0.0022795362824517 +128.787557203634 0.996214336272231 0.00378566372776857 +155.874445021151 0.993788460361792 0.00621153963820794 +188.649579280346 0.989949041151269 0.0100509588487308 +207.534299496359 0.987291567315901 0.0127084326840986 +228.307491733973 0.984002666863235 0.0159973331367646 +251.158003195348 0.979957760139346 0.0200422398606539 +276.293565802861 0.975016031215482 0.0249839687845179 +303.942684671126 0.969021325853404 0.0309786741465959 +334.356715426216 0.961804047510957 0.0381959524890425 +367.812149256816 0.95318400977075 0.0468159902292501 +404.613126470476 0.942974143512562 0.0570258564874385 +445.094201405502 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0.00746776060830241 0.992532239391698 +11265.8289972885 0.00452317072562444 0.995476829274376 +12202.3764433437 0.00284319504717204 0.997156804952828 +13232.5786340043 0.00174270361896214 0.998257296381038 +14365.8010437309 0.000996457400837054 0.999003542599163 +15612.3456944303 0.000507244211056417 0.999492755788943 +16983.5448101996 0.00024178309904603 0.999758216900954 +18491.8638375458 0.000120764028387818 0.999879235971612 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks.crn new file mode 100644 index 0000000..e2324a4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks.crn @@ -0,0 +1,24 @@ +directive sample 0.0,18000.0 1000 +directive plot sp_3 +directive simulation cme +directive parameters + [ in1 = 0.0 + ; in2 = 0.0 + ; c = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init OR_1 1.0 | +init OR 1.0 | +init REPORTER 1.0 | +init STRAND_1 in2 | +init STRAND in1 | +OR_1 + STRAND_1 ->{(c * 5E-05)} sp_2 + sp_1 + sp_0 | +REPORTER + sp_0 <->{(c * 5E-05)}{(1E-09 * c)} sp_4 + sp_3 | +OR + STRAND ->{(c * 5E-05)} sp_7 + sp_6 + sp_5 | +sp_4 + sp_5 <->{(1E-09 * c)}{(1E-09 * c)} sp_8 + sp_0 | +REPORTER + sp_5 <->{(c * 5E-05)}{(1E-09 * c)} sp_8 + sp_3 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..ce5796e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..99acc62 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,125 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.0208138301850468 1.35375155934602E-09 3.67933629546604E-05 +21.4618033354169 0.00138893687278887 0.0372425526401223 +39.4641573809953 0.00455835183772111 0.0673615117574172 +65.6146046759467 0.0120693182961214 0.109195466261143 +89.3130959905632 0.0215099565660067 0.14507680150367 +118.73293596109 0.036234578018039 0.186873308350587 +153.874124587528 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1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..6b0928f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_meanstd_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,164 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.0208138301850468 2.70750311686513E-09 5.20336728430212E-05 +20.8596619305977 0.00262508532532233 0.0511682934282267 +42.343631431905 0.0104185440096283 0.101538160069738 +64.6093186575579 0.0233060416141646 0.150873689019801 +85.1775632218812 0.0390059160904724 0.193609025100628 +110.674702571187 0.0627797248654049 0.24256634352529 +131.573368700658 0.0852581499663494 0.27926546122044 +152.47203483013 0.10995512981529 0.312833820490357 +179.625656387287 0.144690675422413 0.351788692069855 +206.779277944443 0.181674041695937 0.38557565310818 +240.228227532631 0.229271785232503 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a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..794873f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_sp_3_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,126 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.0208138301850468 0.999999998646248 1.35375155934602E-09 +21.4618033354169 0.998611063127211 0.00138893687278887 +39.4641573809953 0.995441648162279 0.00455835183772111 +65.6146046759467 0.987930681703878 0.0120693182961214 +89.3130959905632 0.978490043433993 0.0215099565660067 +118.73293596109 0.963765421981961 0.036234578018039 +153.874124587528 0.942506873318897 0.0574931266811029 +195.503014907236 0.913187603903423 0.0868123960965768 +219.561310913724 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at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..fd8eeb3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cme_sp_3_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,165 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.0208138301850468 0.999999997292497 2.70750311686513E-09 +20.8596619305977 0.997374914674678 0.00262508532532233 +42.343631431905 0.989581455990372 0.0104185440096283 +64.6093186575579 0.976693958385836 0.0233060416141646 +85.1775632218812 0.960994083909528 0.0390059160904724 +110.674702571187 0.937220275134596 0.0627797248654049 +131.573368700658 0.914741850033651 0.0852581499663494 +152.47203483013 0.89004487018471 0.10995512981529 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nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..ce5796e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..c83b591 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,63 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.0180148355217052 1.35214504770901E-09 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0.00447366445400328 +12097.7622308086 0.999979996196992 0.00447251638963715 +13233.6675521651 0.999979999262176 0.00447217372138617 +14483.1634056572 0.99998000011334 0.00447207856198153 +15857.6088444985 0.999980000332901 0.00447205401494689 +17369.498827224 0.999980000385428 0.00447204814237607 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..ac754f4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,67 @@ +Time sp_3 (Mean) sp_3 (Std) +0 0 0 +0.019762281960354 3.2543505080984E-09 5.7046914881592E-05 +18.9751964710988 0.00217884520990878 0.0466272221289242 +37.1647779873979 0.0080966352472877 0.0896162917385008 +59.9748973040804 0.0202398679999259 0.140819798832662 +79.8920014650198 0.0346252813306329 0.182828803046477 +106.40166710323 0.0584561239892503 0.234603933380077 +128.787517987025 0.0820880158570577 0.274498767774482 +155.874397556417 0.114124909450284 0.317962913707319 +188.649521835382 0.156740319900895 0.363555761910412 +207.53423630088 0.182701555061642 0.386421656794362 +228.307422212929 0.212094526916807 0.408791436515912 +251.157926716182 0.245112441335876 0.430153847406068 +276.293481669761 0.281878231506939 0.449914318631292 +303.942592118697 0.322417295311531 0.467401736192248 +334.356613612527 0.366628431228602 0.481883828991445 +367.81203725574 0.41425579198805 0.492593068153018 +402.650179529278 0.462221578180081 0.498570748083756 +440.972136030169 0.512581970005594 0.499841668962061 +475.461896880972 0.55545162562246 0.496915603715386 +513.400633816854 0.599703698171548 0.489958337586898 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0.998605593215058 0.0373157127047018 +2202.97643581033 0.999258442066111 0.0272214625933201 +2378.0993556857 0.999622528956049 0.0194249468354933 +2557.80762479752 0.999809568723359 0.0137983699243671 +2748.21993732902 0.99991317902732 0.0093173727412288 +2957.67348111367 0.999969986675959 0.00547835953929122 +3188.07237927678 0.999997490316742 0.0015841959978435 +3428.14195302366 0.999999859423692 0.000374935045854279 +3692.21848414522 0.999993481557254 0.00255311579371499 +3982.70266837895 0.999989769530959 0.00319849407976711 +4302.23527103604 0.99998912426275 0.00329782033599601 +4653.72113395885 0.999989429015746 0.00325128782303565 +5040.35558317394 0.9999897782717 0.00319712743198709 +5465.65347731053 0.999989924775872 0.00317413336478077 +5933.48116086079 0.999989976190315 0.00316602419584278 +6448.09161276607 0.999989993018533 0.00316336550637248 +7014.16310986188 0.999989998146544 0.00316255488796071 +7636.84175666727 0.999989999598958 0.00316232525741866 +8321.7882681532 0.999989999980702 0.00316226489997609 +9075.22943078772 0.999990000073671 0.00316225020042662 +9904.01470968569 0.999990000094621 0.00316224688803007 +10815.6785164735 0.999990000098983 0.00316224619832005 +11818.50870394 0.999990000099822 0.00316224606574966 +12921.6219101532 0.99999000009997 0.00316224604226195 +14135.0464369877 0.999990000099994 0.0031622460384351 +15469.8134165057 0.999990000099998 0.00316224603785581 +16938.0570939755 0.999990000099999 0.00316224603776803 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..a7c8c7b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_3 = 0 +0 1 +18000 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..747eb4d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,64 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.0180148355217052 0.999999998647855 1.35214504770901E-09 +19.0450962482412 0.998902053080602 0.00109794691939853 +37.2844145552248 0.995917947741211 0.00408205225878932 +60.1569048576787 0.989768675473791 0.0102313245262096 +80.1284694711472 0.982435674303766 0.0175643256962349 +106.710621971674 0.970177780892837 0.0298222191071638 +129.157683740321 0.957881752574182 0.0421182474258188 +156.318628480384 0.94095332839553 0.0590466716044705 +189.18337161586 0.917931640882879 0.0820683591171217 +208.119723612968 0.903622452682558 0.0963775473174425 +228.949710809786 0.887148872332645 0.112851127667356 +251.862696726287 0.868277040604822 0.131722959395179 +277.066981234437 0.8467745672281 0.153225432771901 +304.791694193403 0.82242060480519 0.177579395194811 +335.288878448265 0.795019066087923 0.204980933912078 +368.835781128613 0.764413220844999 0.235586779155002 +405.737374076996 0.730501713980542 0.269498286019459 +446.329126320217 0.693256608261698 0.306743391738303 +490.980053787761 0.652743809414011 0.34725619058599 +540.096074002058 0.609144161411794 0.390855838588207 +594.123696237786 0.562769929229259 0.437230070770742 +653.554080697086 0.514075811157421 0.48592418884258 +718.927503602317 0.463659042158703 0.536340957841298 +784.390821096186 0.416690990245432 0.583309009754569 +856.400470339442 0.369195136513159 0.630804863486842 +935.611084507024 0.321956565706039 0.678043434293962 +1022.74276009136 0.275826742970032 0.724173257029969 +1118.58760323414 0.231676755074659 0.768323244925342 +1224.01693069119 0.190357497398449 0.809642502601552 +1339.98919089395 0.152633115073913 0.847366884926088 +1467.55867711698 0.119109383627013 0.880890616372988 +1607.88511196231 0.0901741408910836 0.909825859108917 +1734.17890332312 0.0698822209630619 0.930117779036939 +1873.10207382 0.0525757143156344 0.947424285684367 +2017.07749204422 0.039005374771114 0.960994625228887 +2171.78884467378 0.0282022054508192 0.971797794549182 +2341.97133256629 0.0196647258595967 0.980335274140404 +2529.17206924805 0.0131605060893976 0.986839493910603 +2735.09287959798 0.00840138358199577 0.991598616418005 +2961.60577098291 0.00507702776981512 0.994922972230186 +3210.76995150634 0.00288153720244033 0.99711846279756 +3457.97604493258 0.00166354415125245 0.998336455848748 +3729.90274770144 0.000945138911857172 0.999054861088144 +4029.02212074719 0.000497312257627195 0.999502687742374 +4358.05343109751 0.000225624483639872 0.999774375516361 +4719.98787248287 0.000132404815720093 0.999867595184281 +5118.11575800676 7.86793522237765E-05 0.999921320647777 +5556.05643208304 4.91840032523151E-05 0.999950815996749 +6037.79117356695 3.37954019660413E-05 0.999966204598035 +6567.69938919925 2.61834301746389E-05 0.999973816569826 +7150.59842639478 2.26218630931744E-05 0.999977378136908 +7791.78736730986 2.1049176112183E-05 0.999978950823889 +8497.09520231645 2.03952423758403E-05 0.999979604757625 +9272.9338208237 2.01397522854829E-05 0.999979860247715 +10126.3563011817 2.00461577360712E-05 0.999979953842265 +11065.1210295755 2.00140742111381E-05 0.99997998592579 +12097.7622308086 2.00038030086577E-05 0.999979996196992 +13233.6675521651 2.0000737824763E-05 0.999979999262176 +14483.1634056572 1.99998866609156E-05 0.99998000011334 +15857.6088444985 1.99996671002772E-05 0.999980000332901 +17369.498827224 1.99996145733257E-05 0.999980000385428 +19032.577808222 1.99996029364462E-05 0.999980000397065 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..747eb4d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,64 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.0180148355217052 0.999999998647855 1.35214504770901E-09 +19.0450962482412 0.998902053080602 0.00109794691939853 +37.2844145552248 0.995917947741211 0.00408205225878932 +60.1569048576787 0.989768675473791 0.0102313245262096 +80.1284694711472 0.982435674303766 0.0175643256962349 +106.710621971674 0.970177780892837 0.0298222191071638 +129.157683740321 0.957881752574182 0.0421182474258188 +156.318628480384 0.94095332839553 0.0590466716044705 +189.18337161586 0.917931640882879 0.0820683591171217 +208.119723612968 0.903622452682558 0.0963775473174425 +228.949710809786 0.887148872332645 0.112851127667356 +251.862696726287 0.868277040604822 0.131722959395179 +277.066981234437 0.8467745672281 0.153225432771901 +304.791694193403 0.82242060480519 0.177579395194811 +335.288878448265 0.795019066087923 0.204980933912078 +368.835781128613 0.764413220844999 0.235586779155002 +405.737374076996 0.730501713980542 0.269498286019459 +446.329126320217 0.693256608261698 0.306743391738303 +490.980053787761 0.652743809414011 0.34725619058599 +540.096074002058 0.609144161411794 0.390855838588207 +594.123696237786 0.562769929229259 0.437230070770742 +653.554080697086 0.514075811157421 0.48592418884258 +718.927503602317 0.463659042158703 0.536340957841298 +784.390821096186 0.416690990245432 0.583309009754569 +856.400470339442 0.369195136513159 0.630804863486842 +935.611084507024 0.321956565706039 0.678043434293962 +1022.74276009136 0.275826742970032 0.724173257029969 +1118.58760323414 0.231676755074659 0.768323244925342 +1224.01693069119 0.190357497398449 0.809642502601552 +1339.98919089395 0.152633115073913 0.847366884926088 +1467.55867711698 0.119109383627013 0.880890616372988 +1607.88511196231 0.0901741408910836 0.909825859108917 +1734.17890332312 0.0698822209630619 0.930117779036939 +1873.10207382 0.0525757143156344 0.947424285684367 +2017.07749204422 0.039005374771114 0.960994625228887 +2171.78884467378 0.0282022054508192 0.971797794549182 +2341.97133256629 0.0196647258595967 0.980335274140404 +2529.17206924805 0.0131605060893976 0.986839493910603 +2735.09287959798 0.00840138358199577 0.991598616418005 +2961.60577098291 0.00507702776981512 0.994922972230186 +3210.76995150634 0.00288153720244033 0.99711846279756 +3457.97604493258 0.00166354415125245 0.998336455848748 +3729.90274770144 0.000945138911857172 0.999054861088144 +4029.02212074719 0.000497312257627195 0.999502687742374 +4358.05343109751 0.000225624483639872 0.999774375516361 +4719.98787248287 0.000132404815720093 0.999867595184281 +5118.11575800676 7.86793522237765E-05 0.999921320647777 +5556.05643208304 4.91840032523151E-05 0.999950815996749 +6037.79117356695 3.37954019660413E-05 0.999966204598035 +6567.69938919925 2.61834301746389E-05 0.999973816569826 +7150.59842639478 2.26218630931744E-05 0.999977378136908 +7791.78736730986 2.1049176112183E-05 0.999978950823889 +8497.09520231645 2.03952423758403E-05 0.999979604757625 +9272.9338208237 2.01397522854829E-05 0.999979860247715 +10126.3563011817 2.00461577360712E-05 0.999979953842265 +11065.1210295755 2.00140742111381E-05 0.99997998592579 +12097.7622308086 2.00038030086577E-05 0.999979996196992 +13233.6675521651 2.0000737824763E-05 0.999979999262176 +14483.1634056572 1.99998866609156E-05 0.99998000011334 +15857.6088444985 1.99996671002772E-05 0.999980000332901 +17369.498827224 1.99996145733257E-05 0.999980000385428 +19032.577808222 1.99996029364462E-05 0.999980000397065 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..6412b25 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate with nicks_simulation/mysweep/cmestiff_sp_3_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,68 @@ +Time sp_3 = 0 sp_3 = 1 +0 1 0 +0.019762281960354 0.99999999674565 3.2543505080984E-09 +18.9751964710988 0.997821154790091 0.00217884520990878 +37.1647779873979 0.991903364752712 0.0080966352472877 +59.9748973040804 0.979760132000074 0.0202398679999259 +79.8920014650198 0.965374718669367 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+ { in1 = [0.0, 1.0] + , in2 = [0.0, 1.0] } + +init OR_1 1.0 | +init OR 1.0 | +init REPORTER 1.0 | +init STRAND_1 in2 | +init STRAND in1 | +REPORTER + sp_0 ->{(c0 * 5E-05)} sp_3 + sp_2 | +OR_1 + STRAND_1 <->{(c0 * 5E-05)}{(c0 * 5E-05)} sp_1 + sp_0 | +REPORTER + sp_4 ->{(c0 * 5E-05)} sp_6 + sp_2 | +OR + STRAND <->{(c0 * 5E-05)}{(c0 * 5E-05)} sp_5 + sp_4 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..25e9c1b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_2 (Mean) sp_2 (Std) +0 0 0 +18000 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..3ad82dc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_meanstd_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,144 @@ +Time sp_2 (Mean) sp_2 (Std) +0 0 0 +0.0208138301850468 1.35372807989667E-09 3.67930438814743E-05 +18.4451622626045 0.00101564407804816 0.0318529833007034 +37.0955103298863 0.00392494178854818 0.0625262874358032 +59.1066848646098 0.00945155686252478 0.096758591015988 +87.7842519414183 0.0194883700778279 0.138233763999746 +111.527855596543 0.0297843961464695 0.169992017143923 +139.514633014024 0.0437611812353818 0.2045632915561 +171.744584193861 0.0617846724690594 0.24076404780812 +208.509499022397 0.0841933804455046 0.277677610070857 +229.159438261015 0.0974101680150309 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b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_sp_2_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_2 = 0 +0 1 +18000 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_sp_2_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_sp_2_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..70d201b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cme_sp_2_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,145 @@ +Time sp_2 = 0 sp_2 = 1 +0 1 0 +0.0208138301850468 0.999999998646272 1.35372807989667E-09 +18.4451622626045 0.998984355921952 0.00101564407804816 +37.0955103298863 0.996075058211452 0.00392494178854818 +59.1066848646098 0.990548443137475 0.00945155686252478 +87.7842519414183 0.980511629922173 0.0194883700778279 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0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..b1fdf77 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_meanstd_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,62 @@ +Time sp_2 (Mean) sp_2 (Std) +0 0 0 +0.0180148355217052 1.35210445439304E-09 3.6770972961901E-05 +19.0450962482412 0.0010809121015625 0.0328594542040978 +37.2844145552248 0.00396137748069545 0.0628146875272885 +60.1569048576787 0.00975944203043034 0.0983066392553678 +80.1284694711472 0.0165162092266044 0.127449692268704 +106.710621971674 0.0275413873852723 0.163654695521292 +129.157683740321 0.0383480634057148 0.192035125533706 +156.318628480384 0.0529058964181566 0.22384562212013 +189.18337161586 0.0721860168189973 0.258795664173117 +208.119723612968 0.083929063357039 0.277281401614045 +228.949710809786 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gate_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 0.0.tsv new file mode 100644 index 0000000..b1fdf77 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_meanstd_in1 = 1.0, in2 = 0.0.tsv @@ -0,0 +1,62 @@ +Time sp_2 (Mean) sp_2 (Std) +0 0 0 +0.0180148355217052 1.35210445439304E-09 3.6770972961901E-05 +19.0450962482412 0.0010809121015625 0.0328594542040978 +37.2844145552248 0.00396137748069545 0.0628146875272885 +60.1569048576787 0.00975944203043034 0.0983066392553678 +80.1284694711472 0.0165162092266044 0.127449692268704 +106.710621971674 0.0275413873852723 0.163654695521292 +129.157683740321 0.0383480634057148 0.192035125533706 +156.318628480384 0.0529058964181566 0.22384562212013 +189.18337161586 0.0721860168189973 0.258795664173117 +208.119723612968 0.083929063357039 0.277281401614045 +228.949710809786 0.0972577577914464 0.296308431099803 +251.862696726287 0.112307260775982 0.315744105175343 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gate_simulation/mysweep/cmestiff_sp_2_in1 = 0.0, in2 = 0.0.tsv new file mode 100644 index 0000000..5609b4f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_sp_2_in1 = 0.0, in2 = 0.0.tsv @@ -0,0 +1,3 @@ +Time sp_2 = 0 +0 1 +18000 1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_sp_2_in1 = 0.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_sp_2_in1 = 0.0, in2 = 1.0.tsv new file mode 100644 index 0000000..ee33329 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_sp_2_in1 = 0.0, in2 = 1.0.tsv @@ -0,0 +1,63 @@ +Time sp_2 = 0 sp_2 = 1 +0 1 0 +0.0180148355217052 0.999999998647896 1.35210445439304E-09 +19.0450962482412 0.998919087898437 0.0010809121015625 +37.2844145552248 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0.999998305650007 +15980.2150497732 7.40154695230198E-07 0.999999259845305 +17465.2707803544 3.06089110146209E-07 0.99999969391089 +19098.8320839937 1.19570157926303E-07 0.999999880429842 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_sp_2_in1 = 1.0, in2 = 1.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_sp_2_in1 = 1.0, in2 = 1.0.tsv new file mode 100644 index 0000000..fe4d4aa --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR gate_simulation/mysweep/cmestiff_sp_2_in1 = 1.0, in2 = 1.0.tsv @@ -0,0 +1,67 @@ +Time sp_2 = 0 sp_2 = 1 +0 1 0 +0.019762281960354 0.999999996745757 3.25424333184618E-09 +18.9751964710988 0.99785482051749 0.00214517948251063 +37.1647779873979 0.992141495344177 0.00785850465582339 +59.9748973040804 0.980686252467272 0.0193137475327279 +79.8920014650198 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+11693.3327578195 3.36541045453307E-08 0.999999966345896 +12806.9604387441 1.07629773706287E-08 0.999999989237023 +14031.9508877611 3.2229080177265E-09 0.999999996777093 +15379.4403816799 9.01897219964233E-10 0.999999999098104 +16861.6788249905 2.35431680031041E-10 0.999999999764569 +18492.1411126322 5.72282611011769E-11 0.999999999942773 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs.crn new file mode 100644 index 0000000..d6a609a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs.crn @@ -0,0 +1,30 @@ +directive sample 0.0,720.0 1000 +directive plot sp_6 +directive simulation cme +directive parameters + [ c = 50.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep sweep_1 = + { c = [50.0, 500.0, 5000.0, 50000.0, 500000.0, 5000000.0] } + +init AND_1 1.0 | +init AND 1.0 | +init OR_1 1.0 | +init OR 1.0 | +init REPORTER 1.0 | +init STRAND_3 1.0 | +AND_1 + STRAND_3 ->{(1E-09 * c)} sp_2 + sp_1 + sp_0 | +OR_1 + sp_1 ->{(c * 5E-05)} sp_5 + sp_4 + sp_3 | +REPORTER + sp_3 <->{(c * 5E-05)}{(1E-09 * c)} sp_7 + sp_6 | +AND_1 + STRAND_2 ->{(c * 5E-05)} sp_11 + sp_9 + sp_8 | +sp_2 + STRAND_2 ->{(c * 5E-05)} sp_10 + sp_9 + sp_8 | +sp_11 + STRAND_3 ->{(c * 5E-05)} sp_10 + sp_0 + sp_1 | +AND + STRAND_1 ->{(1E-09 * c)} sp_14 + sp_13 + sp_12 | +OR + sp_13 ->{(c * 5E-05)} sp_17 + sp_16 + sp_15 | +sp_7 + sp_15 <->{(1E-09 * c)}{(1E-09 * c)} sp_18 + sp_3 | +REPORTER + sp_15 <->{(c * 5E-05)}{(1E-09 * c)} sp_18 + sp_6 | +AND + STRAND ->{(c * 5E-05)} sp_22 + sp_20 + sp_19 | +sp_14 + STRAND ->{(c * 5E-05)} sp_21 + sp_20 + sp_19 | +sp_22 + STRAND_1 ->{(c * 5E-05)} sp_21 + sp_12 + sp_13 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_meanstd_c = 50.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_meanstd_c = 50.0.tsv new file mode 100644 index 0000000..9695e9d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_meanstd_c = 50.0.tsv @@ -0,0 +1,26 @@ +Time sp_6 (Mean) sp_6 (Std) +0 0 0 +0.181194915919424 3.09769769660093E-16 1.76002775449733E-08 +1.63075424327482 2.25414476877817E-13 4.74778344996658E-07 +2.53672882287193 8.47510696874362E-13 9.20603441702041E-07 +3.44270340246905 2.11606788942236E-12 1.45467105883697E-06 +4.34867798206617 4.26001667143562E-12 2.06398078271516E-06 +8.87855088005177 3.60547515809998E-11 6.00456089815899E-06 +13.4084237780374 1.23477224668946E-10 1.11120306269241E-05 +17.938296676023 2.93988071673555E-10 1.71460803563708E-05 +22.4681695740086 5.74441125956592E-10 2.39675014473059E-05 +39.3703771849521 3.02981806507906E-09 5.50437830812823E-05 +56.2725847958956 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b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_meanstd_c = 500.0.tsv new file mode 100644 index 0000000..a402801 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_meanstd_c = 500.0.tsv @@ -0,0 +1,45 @@ +Time sp_6 (Mean) sp_6 (Std) +0 0 0 +0.114326262981832 7.77213775586397E-14 2.78785540440378E-07 +1.02893636683648 5.6026580135125E-11 7.48509052263138E-06 +2.1721989966548 5.19570140220454E-10 2.2794081248221E-05 +4.59746127148995 4.78539578129714E-09 6.91765549763583E-05 +6.45109223141595 1.29157705099739E-08 0.000113647570775432 +8.30472319134195 2.69219700372646E-08 0.000164079155630665 +10.1583541512679 4.81736080711056E-08 0.000219484864513271 +13.6953600692713 1.13198665988342E-07 0.000336450075307473 +17.2323659872746 2.16060926390791E-07 0.00046482349306857 +20.769371905278 3.62431331134489E-07 0.000602022590753885 +24.3063778232813 5.57263698761528E-07 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of ANDs_simulation/sweep_1/cme_meanstd_c = 5000.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_meanstd_c = 5000.0.tsv new file mode 100644 index 0000000..efa5b29 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_meanstd_c = 5000.0.tsv @@ -0,0 +1,183 @@ +Time sp_6 (Mean) sp_6 (Std) +0 0 0 +0.0721349952953607 1.94203306876352E-11 4.4068504271484E-06 +1.00988993413505 4.76132914058564E-08 0.000218204695501336 +1.73123988708866 2.18950114962818E-07 0.000467921005110547 +2.49671846091888 5.99509686929079E-07 0.000774279876735289 +3.26219703474911 1.22312000484163E-06 0.00110594688336244 +4.06145835624814 2.15996563792908E-06 0.00146968056817716 +4.86071967774716 3.38713446559248E-06 0.00184041381023741 +5.65998099924618 4.89355848468393E-06 0.00221213348100183 +6.45924232074521 6.68238947624253E-06 0.00258502317628168 +7.2974988856682 8.83147286328788E-06 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OR of ANDs_simulation/sweep_1/cme_sp_6_c = 50.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_sp_6_c = 50.0.tsv new file mode 100644 index 0000000..e37dc59 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_sp_6_c = 50.0.tsv @@ -0,0 +1,27 @@ +Time sp_6 = 0 sp_6 = 1 +0 1 0 +0.181194915919424 1 3.09769769660093E-16 +1.63075424327482 0.999999999999775 2.25414476877817E-13 +2.53672882287193 0.999999999999153 8.47510696874362E-13 +3.44270340246905 0.999999999997884 2.11606788942236E-12 +4.34867798206617 0.99999999999574 4.26001667143562E-12 +8.87855088005177 0.999999999963945 3.60547515809998E-11 +13.4084237780374 0.999999999876523 1.23477224668946E-10 +17.938296676023 0.999999999706012 2.93988071673555E-10 +22.4681695740086 0.999999999425559 5.74441125956592E-10 +39.3703771849521 0.999999996970182 3.02981806507906E-09 +56.2725847958956 0.999999991340361 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b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_sp_6_c = 500.0.tsv new file mode 100644 index 0000000..fac6d12 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_sp_6_c = 500.0.tsv @@ -0,0 +1,46 @@ +Time sp_6 = 0 sp_6 = 1 +0 1 0 +0.114326262981832 0.999999999999922 7.77213775586397E-14 +1.02893636683648 0.999999999943973 5.6026580135125E-11 +2.1721989966548 0.99999999948043 5.19570140220454E-10 +4.59746127148995 0.999999995214604 4.78539578129714E-09 +6.45109223141595 0.999999987084229 1.29157705099739E-08 +8.30472319134195 0.99999997307803 2.69219700372646E-08 +10.1583541512679 0.999999951826392 4.81736080711056E-08 +13.6953600692713 0.999999886801334 1.13198665988342E-07 +17.2323659872746 0.999999783939074 2.16060926390791E-07 +20.769371905278 0.999999637568669 3.62431331134489E-07 +24.3063778232813 0.999999442736301 5.57263698761528E-07 +30.1390000168804 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ANDs_simulation/sweep_1/cme_sp_6_c = 5000.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_sp_6_c = 5000.0.tsv new file mode 100644 index 0000000..da891ab --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cme_sp_6_c = 5000.0.tsv @@ -0,0 +1,184 @@ +Time sp_6 = 0 sp_6 = 1 +0 1 0 +0.0721349952953607 0.99999999998058 1.94203306876352E-11 +1.00988993413505 0.999999952386709 4.76132914058564E-08 +1.73123988708866 0.999999781049885 2.18950114962818E-07 +2.49671846091888 0.999999400490313 5.99509686929079E-07 +3.26219703474911 0.999998776879995 1.22312000484163E-06 +4.06145835624814 0.999997840034362 2.15996563792908E-06 +4.86071967774716 0.999996612865534 3.38713446559248E-06 +5.65998099924618 0.999995106441515 4.89355848468393E-06 +6.45924232074521 0.999993317610524 6.68238947624253E-06 +7.2974988856682 0.999991168527137 8.83147286328788E-06 +8.1357554505912 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end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cmestiff_meanstd_c = 50.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cmestiff_meanstd_c = 50.0.tsv new file mode 100644 index 0000000..015ad39 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cmestiff_meanstd_c = 50.0.tsv @@ -0,0 +1,58 @@ +Time sp_6 (Mean) sp_6 (Std) +0 0 0 +0.0316543993683737 4.40477684900927E-18 2.09875602417462E-09 +0.776251723799659 2.47729384262529E-14 1.57394213445896E-07 +1.61941028037687 2.22988713695611E-13 4.72216807934196E-07 +2.51788665896839 8.35605573593503E-13 9.14114639196203E-07 +3.45608320499625 2.15662056677675E-12 1.46854368909206E-06 +4.24833491671905 4.000144332683E-12 2.00003608284126E-06 +5.20695948790363 7.35389147973024E-12 2.71180594432496E-06 +6.36689521903698 1.34217932192619E-11 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b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cmestiff_sp_6_c = 50.0.tsv @@ -0,0 +1,59 @@ +Time sp_6 = 0 sp_6 = 1 +0 1 0 +0.0316543993683737 1 4.40477684900927E-18 +0.776251723799659 0.999999999999975 2.47729384262529E-14 +1.61941028037687 0.999999999999777 2.22988713695611E-13 +2.51788665896839 0.999999999999164 8.35605573593503E-13 +3.45608320499625 0.999999999997844 2.15662056677675E-12 +4.24833491671905 0.999999999996 4.000144332683E-12 +5.20695948790363 0.999999999992646 7.35389147973024E-12 +6.36689521903698 0.999999999986578 1.34217932192619E-11 +7.77041745370833 0.999999999975649 2.43506546794318E-11 +8.57911359844754 0.999999999967264 3.27361416677717E-11 +9.46867935766066 0.999999999956041 4.39592463006464E-11 +10.4472016927951 0.999999999941032 5.89682175670484E-11 +11.523576261443 0.999999999920975 7.90250949088914E-11 +12.7075882869557 0.999999999894192 1.05808640758978E-10 +14.0100015150196 0.999999999858449 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0.00387367830786363 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cmestiff_sp_6_c = 50000.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cmestiff_sp_6_c = 50000.0.tsv new file mode 100644 index 0000000..3c21b34 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cmestiff_sp_6_c = 50000.0.tsv @@ -0,0 +1,59 @@ +Time sp_6 = 0 sp_6 = 1 +0 1 0 +0.0316444922277274 0.999999996028834 3.97116633259346E-09 +0.776008773841422 0.999989913435937 1.00865640624483E-05 +1.61890344007246 0.999957074121664 4.29258783360103E-05 +2.51709861503897 0.999913934403991 8.60655960090504E-05 +3.45500152589065 0.999867258181744 0.000132741818255923 +4.24700528000592 0.999827673325226 0.000172326674774033 +5.20532982248539 0.999779763623362 0.000220236376638262 +6.36490251888555 0.999721799139241 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ANDs_simulation/sweep_1/cmestiff_sp_6_c = 500000.0.tsv new file mode 100644 index 0000000..0a24f60 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/Localization - OR of ANDs_simulation/sweep_1/cmestiff_sp_6_c = 500000.0.tsv @@ -0,0 +1,59 @@ +Time sp_6 = 0 sp_6 = 1 +0 1 0 +0.0307074700785879 0.9999982404216 1.75957840031046E-06 +0.753030449405586 0.999663552509301 0.000336447490699114 +1.57096623919246 0.999254829798741 0.000745170201259344 +2.44256503943641 0.9988194827118 0.0011805172882002 +3.35269579344999 0.99836510171234 0.00163489828766063 +4.12124759723952 0.997981572370709 0.00201842762929164 +5.05119527982486 0.99751770823678 0.00248229176322007 +6.17643197575311 0.99695673462435 0.00304326537565014 +7.5379683778263 0.99627839842033 0.00372160157967052 +8.32247268568752 0.995887767143481 0.00411223285651951 +9.18542742433486 0.995458258062395 0.004541741937605 +10.1346776368469 0.994986022208194 0.00501397779180656 +11.1788528706102 0.994466833830395 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file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/cme/generateData.sh b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/generateData.sh new file mode 100644 index 0000000..55962da --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/cme/generateData.sh @@ -0,0 +1,3 @@ +#!/bin/bash +for i in ./*crn; do timeout 600 ../../../../../ModellingEngine/CliBME/bin/Release/CliBME.exe -simulator Cme -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout 600 ../../../../../ModellingEngine/CliBME/bin/Release/CliBME.exe -simulator CmeStiff -simulate "$i" && echo $MSG; done diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two domain fork-join.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two domain fork-join.crn new file mode 100644 index 0000000..fb0ff70 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two domain fork-join.crn @@ -0,0 +1,89 @@ +directive sample 0.0,300.0 1000 +directive plot sp_73; sp_60; sp_48; sp_35 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_1 1.0 | +init sp_0 1.0 | +init F_9 10.0 | +init F_8 10.0 | +init F_7 10.0 | +init F_6 10.0 | +init F_5 10.0 | +init F_4 10.0 | +init F_3 10.0 | +init F_2 10.0 | +init F_1 10.0 | +init F 10.0 | +init J_23 10.0 | +init J_22 10.0 | +init J_21 10.0 | +init J_20 10.0 | +init J_19 10.0 | +init J_18 10.0 | +init J_17 10.0 | +init J_16 10.0 | +init J_15 10.0 | +init J_14 10.0 | +init J_13 10.0 | +init J_12 10.0 | +init J_11 10.0 | +init J_10 10.0 | +init J_9 10.0 | +init J_8 10.0 | +init J_7 10.0 | +init J_6 10.0 | +init J_5 10.0 | +init J_4 10.0 | +init J_3 10.0 | +init J_2 10.0 | +init J_1 10.0 | +init J 10.0 | +F_8 + sp_1 <->{1.0}{1.0} sp_3 + sp_2 | +sp_5 + F_5 ->{1.0} sp_7 + sp_6 | +sp_3 + F_5 <->{1.0}{1.0} sp_5 + sp_4 | +F_9 + sp_4 <->{1.0}{1.0} sp_8 + F_5 | +sp_12 + sp_2 ->{1.0} sp_14 + sp_13 | +sp_10 + F_7 <->{1.0}{1.0} sp_12 + sp_11 | +sp_8 + F_6 <->{1.0}{1.0} sp_10 + sp_9 | +F_3 + sp_0 <->{1.0}{1.0} sp_16 + sp_15 | +sp_18 + F ->{1.0} sp_20 + sp_19 | +sp_16 + F <->{1.0}{1.0} sp_18 + sp_17 | +F_4 + sp_17 <->{1.0}{1.0} sp_21 + F | +sp_25 + sp_15 ->{1.0} sp_27 + sp_26 | +sp_23 + F_2 <->{1.0}{1.0} sp_25 + sp_24 | +sp_21 + F_1 <->{1.0}{1.0} sp_23 + sp_22 | +J_21 + sp_24 <->{1.0}{1.0} sp_28 + F_2 | +sp_28 + sp_11 <->{1.0}{1.0} sp_29 + F_7 | +sp_31 + J_18 ->{1.0} sp_33 + sp_32 | +sp_29 + J_18 <->{1.0}{1.0} sp_31 + sp_30 | +J_22 + sp_30 <->{1.0}{1.0} sp_34 + J_18 | +sp_38 + F_2 ->{1.0} sp_40 + sp_39 | +sp_36 + J_19 <->{1.0}{1.0} sp_38 + sp_37 | +sp_34 + J_20 <->{1.0}{1.0} sp_36 + sp_35 | +J_15 + sp_24 <->{1.0}{1.0} sp_41 + F_2 | +sp_41 + sp_9 <->{1.0}{1.0} sp_42 + F_6 | +sp_44 + J_12 ->{1.0} sp_46 + sp_45 | +sp_42 + J_12 <->{1.0}{1.0} sp_44 + sp_43 | +J_16 + sp_43 <->{1.0}{1.0} sp_47 + J_12 | +sp_51 + F_2 ->{1.0} sp_52 + sp_39 | +sp_49 + J_13 <->{1.0}{1.0} sp_51 + sp_50 | +sp_47 + J_14 <->{1.0}{1.0} sp_49 + sp_48 | +J_9 + sp_22 <->{1.0}{1.0} sp_53 + F_1 | +sp_53 + sp_11 <->{1.0}{1.0} sp_54 + F_7 | +sp_56 + J_6 ->{1.0} sp_58 + sp_57 | +sp_54 + J_6 <->{1.0}{1.0} sp_56 + sp_55 | +J_10 + sp_55 <->{1.0}{1.0} sp_59 + J_6 | +sp_63 + F_1 ->{1.0} sp_65 + sp_64 | +sp_61 + J_7 <->{1.0}{1.0} sp_63 + sp_62 | +sp_59 + J_8 <->{1.0}{1.0} sp_61 + sp_60 | +J_3 + sp_22 <->{1.0}{1.0} sp_66 + F_1 | +sp_66 + sp_9 <->{1.0}{1.0} sp_67 + F_6 | +sp_69 + J ->{1.0} sp_71 + sp_70 | +sp_67 + J <->{1.0}{1.0} sp_69 + sp_68 | +J_4 + sp_68 <->{1.0}{1.0} sp_72 + J | +sp_76 + F_1 ->{1.0} sp_77 + sp_64 | +sp_74 + J_1 <->{1.0}{1.0} sp_76 + sp_75 | +sp_72 + J_2 <->{1.0}{1.0} sp_74 + sp_73 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two domain fork-join_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two domain fork-join_simulation/deterministic.tsv new file mode 100644 index 0000000..c6332bc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two domain fork-join_simulation/deterministic.tsv @@ -0,0 +1,966 @@ +Time sp_73 sp_60 sp_48 sp_35 +0 0 0 0 0 +0.286147952151324 9.85206049393392E-06 3.60944183669872E-06 3.25997742338636E-06 1.23056499064859E-06 +0.591498598790341 0.00172183922558955 0.00106535319759995 0.00101722802003252 0.000644663018598591 +0.887406459980581 0.0124955708715081 0.00935856198871908 0.00924312192161065 0.00704745053326824 +1.1819417412445 0.0347593519777156 0.0284662316289657 0.0286517836796235 0.0237911511800559 +1.48150338173878 0.0640316808266763 0.0550981123730289 0.0559933257934107 0.0487280403177741 +1.7943498261332 0.0958471438836346 0.0850782640003413 0.0868357223549996 0.0778241875919411 +2.1010129477409 0.125135150505301 0.113307445603865 0.115804643843391 0.105758510723248 +2.41928180335156 0.152424203428611 0.140019279616419 0.143098619018978 0.132478382301257 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+ ; R = 0.0019872 + ; T = 298.15 ] + +init sp_0 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + sp_0 <->{0.0003}{0.0003} sp_2 + sp_1 | +sp_4 + T ->{0.0003} sp_6 + sp_5 | +sp_2 + T <->{0.0003}{0.0003} sp_4 + sp_3 | +T_3 + sp_3 <->{0.0003}{0.0003} sp_7 + T | +sp_9 + sp_1 ->{0.0003} sp_11 + sp_10 | +sp_7 + T_1 <->{0.0003}{0.0003} sp_9 + sp_8 + diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two-domain transducer_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two-domain transducer_simulation/deterministic.tsv new file mode 100644 index 0000000..f8abbe4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/2-domain, DCM - Two-domain transducer_simulation/deterministic.tsv @@ -0,0 +1,66 @@ +Time sp_0 sp_8 +0 1 0 +7.91981623745772 0.99762969130778 1.31853450121078E-12 +19.8472503300145 0.994081136639036 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transducer_simulation/deterministicstiff.tsv @@ -0,0 +1,60 @@ +Time sp_0 sp_8 +0 1 0 +9.41575840660179 0.997183236507292 2.70664549960351E-12 +18.6472816636974 0.994436993254305 4.1447887383568E-11 +30.2238067629908 0.991014572682455 2.84701354580863E-10 +40.3320772644838 0.988045594602601 8.99278613708679E-10 +53.7861853019709 0.984121707987057 2.82978654280488E-09 +65.1473869260133 0.980832786376772 6.06457716270327E-09 +78.8944408911045 0.976883035914189 1.29765907375831E-08 +95.528376188865 0.972147162619955 2.7720820683851E-08 +105.112691289003 0.969439764823626 4.04897423151304E-08 +115.655437899155 0.966479534995275 5.91129821031437E-08 +127.252459170322 0.963244809619855 8.62598067333704E-08 +140.009182568606 0.959712473215017 1.25808140903925E-07 +154.041578306718 0.95585794843708 1.83386984180593E-07 +169.477213618642 0.951655208940833 2.67159385735469E-07 +186.456412461758 0.947076820804126 3.88950965734306E-07 +205.133531189185 0.942094019216677 5.6587378692732E-07 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0.383930793202461 0.145906132078226 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Lotka.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Lotka.crn new file mode 100644 index 0000000..15b0912 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Lotka.crn @@ -0,0 +1,23 @@ +directive sample 0.0,5000.0 3000 +directive plot SpeciesL; SpeciesR +directive reltolerance 1E-05 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +constant BinaryLRxRR_1 3000000.0 | +constant BinaryLRxRR 30000.0 | +init SpeciesL 1000.0 | +init SpeciesR 1000.0 | +constant UnaryLxLL_1 100000.0 | +constant UnaryLxLL 1000.0 | +constant UnaryRx 1000.0 | +BinaryLRxRR + SpeciesL <->{1E-05}{0.1} sp_0 | +sp_0 + SpeciesR ->{1E-05} sp_2 + sp_1 | +BinaryLRxRR + SpeciesR <->{1E-05}{0.1} sp_3 | +sp_3 + SpeciesL ->{1E-05} sp_2 + sp_1 | +BinaryLRxRR_1 + sp_1 ->{1E-05} sp_5 + sp_4 + 2SpeciesR | +UnaryLxLL + SpeciesL ->{1E-05} sp_7 + sp_6 | +UnaryLxLL_1 + sp_6 ->{1E-05} sp_9 + sp_8 + 2SpeciesL | +UnaryRx + SpeciesR ->{1E-05} sp_11 + sp_10 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Lotka_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Lotka_simulation/deterministic.tsv new file mode 100644 index 0000000..b5ccc07 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Lotka_simulation/deterministic.tsv @@ -0,0 +1,2980 @@ +Time SpeciesL SpeciesR +0 1000 1000 +1.66213461086183 635.144992765963 631.288884737141 +3.33594393193551 451.550922026144 446.665604592795 +5.00328577747394 356.916503018571 353.778809410786 +6.67986072718061 306.97714639727 306.266133130331 +8.36506090492785 280.506165153058 282.047825292428 +10.0280621505972 266.570070043652 269.983112961413 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282.135227876186 190.103835669701 +4981.66666666667 282.001996361506 190.625899839188 +4983.33333333333 281.865181852603 191.148658947769 +4985 281.724783205314 191.672094087462 +4986.66666666667 281.580799473988 192.196186160977 +4988.33333333333 281.433229911488 192.720915881717 +4990 281.282073969193 193.246263773777 +4991.66666666667 281.127331296995 193.772210171945 +4993.33333333333 280.969001743302 194.298735221701 +4995 280.807085355033 194.825818879217 +4996.66666666667 280.641582377625 195.353440911359 +4998.33333333333 280.472493255028 195.881580895685 +5000 280.299818629705 196.410218220444 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Mapk.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Mapk.crn new file mode 100644 index 0000000..ac5e996 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Mapk.crn @@ -0,0 +1,96 @@ +directive sample 0.0,10000.0 1000 +directive plot sp_11; sp_41; sp_65; SpeciesR; SpeciesL_1; SpeciesR_1; sp_24; sp_51 +directive reltolerance 1e-05 +directive scale 10.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +constant BinaryLRxLR_19 100.0 | +constant BinaryLRxLR_18 1.0 | +constant BinaryLRxLR_17 100.0 | +constant BinaryLRxLR_16 1.0 | +constant BinaryLRxLR_15 5000.0 | +constant BinaryLRxLR_14 50.0 | +constant BinaryLRxLR_13 5000.0 | +constant BinaryLRxLR_12 50.0 | +constant BinaryLRxLR_11 100.0 | +constant BinaryLRxLR_10 1.0 | +constant BinaryLRxLR_9 100.0 | +constant BinaryLRxLR_8 1.0 | +constant BinaryLRxLR_7 5000.0 | +constant BinaryLRxLR_6 50.0 | +constant BinaryLRxLR_5 5000.0 | +constant BinaryLRxLR_4 50.0 | +constant BinaryLRxLR_3 100.0 | +constant BinaryLRxLR_2 1.0 | +constant BinaryLRxLR_1 5000.0 | +constant BinaryLRxLR 50.0 | +init SpeciesL_3 1.0 | +init SpeciesL_2 1.0 | +init SpeciesL_1 100.0 | +init SpeciesL 1.0 | +init SpeciesR_2 1.0 | +init SpeciesR_1 100.0 | +init SpeciesR 10.0 | +BinaryLRxLR_18 + SpeciesL_3 <->{0.0003}{0.1126} sp_1 | +BinaryLRxLR_16 + SpeciesL_3 <->{0.0003}{0.1126} sp_0 | +BinaryLRxLR_2 + SpeciesL_2 <->{0.0003}{0.1126} sp_2 | +BinaryLRxLR_4 + SpeciesL_1 <->{0.0003}{0.1126} sp_3 | +BinaryLRxLR + SpeciesL <->{0.0003}{0.1126} sp_4 | +BinaryLRxLR_10 + SpeciesR_2 <->{0.0003}{0.1126} sp_6 | +BinaryLRxLR_8 + SpeciesR_2 <->{0.0003}{0.1126} sp_5 | +BinaryLRxLR_12 + SpeciesR_1 <->{0.0003}{0.1126} sp_7 | +sp_4 + SpeciesR ->{0.0003} sp_9 + sp_8 | +BinaryLRxLR + SpeciesR <->{0.0003}{0.1126} sp_10 | +sp_10 + SpeciesL ->{0.0003} sp_9 + sp_8 | +BinaryLRxLR_1 + sp_8 ->{0.0003} sp_14 + sp_13 + SpeciesL + sp_12 + sp_11 | +sp_2 + sp_11 ->{0.0003} sp_18 + sp_17 | +sp_3 + sp_11 ->{0.0003} sp_16 + sp_15 | +BinaryLRxLR_6 + sp_11 <->{0.0003}{0.1126} sp_21 | +BinaryLRxLR_4 + sp_11 <->{0.0003}{0.1126} sp_20 | +sp_20 + SpeciesL_1 ->{0.0003} sp_16 + sp_15 | +BinaryLRxLR_5 + sp_15 ->{0.0003} sp_26 + sp_25 + sp_24 + sp_23 + sp_11 | +BinaryLRxLR_7 + sp_15 <->{0.0003}{0.1126} sp_27 | +sp_6 + sp_24 ->{0.0003} sp_31 + sp_30 | +sp_21 + sp_24 ->{0.0003} sp_29 + sp_28 | +BinaryLRxLR_10 + sp_24 <->{0.0003}{0.1126} sp_33 | +sp_33 + SpeciesR_2 ->{0.0003} sp_31 + sp_30 | +BinaryLRxLR_11 + sp_30 ->{0.0003} sp_37 + sp_36 + SpeciesL_1 + sp_35 + SpeciesR_2 | +BinaryLRxLR_9 + sp_30 <->{0.0003}{0.1126} sp_34 | +BinaryLRxLR_6 + sp_24 <->{0.0003}{0.1126} sp_32 | +sp_32 + sp_11 ->{0.0003} sp_29 + sp_28 | +BinaryLRxLR_7 + sp_28 ->{0.0003} sp_43 + sp_42 + sp_41 + sp_40 + sp_11 | +sp_5 + sp_41 ->{0.0003} sp_47 + sp_46 | +sp_7 + sp_41 ->{0.0003} sp_45 + sp_44 | +BinaryLRxLR_14 + sp_41 <->{0.0003}{0.1126} sp_50 | +BinaryLRxLR_12 + sp_41 <->{0.0003}{0.1126} sp_49 | +sp_49 + SpeciesR_1 ->{0.0003} sp_45 + sp_44 | +BinaryLRxLR_13 + sp_44 ->{0.0003} sp_54 + sp_53 + sp_41 + sp_52 + sp_51 | +sp_1 + sp_51 ->{0.0003} sp_58 + sp_57 | +sp_50 + sp_51 ->{0.0003} sp_56 + sp_55 | +BinaryLRxLR_18 + sp_51 <->{0.0003}{0.1126} sp_60 | +sp_60 + SpeciesL_3 ->{0.0003} sp_58 + sp_57 | +BinaryLRxLR_19 + sp_57 ->{0.0003} sp_64 + sp_63 + SpeciesL_3 + sp_62 + SpeciesR_1 | +BinaryLRxLR_15 + sp_57 <->{0.0003}{0.1126} sp_61 | +BinaryLRxLR_14 + sp_51 <->{0.0003}{0.1126} sp_59 | +sp_59 + sp_41 ->{0.0003} sp_56 + sp_55 | +BinaryLRxLR_15 + sp_55 ->{0.0003} sp_68 + sp_67 + sp_41 + sp_66 + sp_65 | +BinaryLRxLR_19 + sp_55 <->{0.0003}{0.1126} sp_69 | +sp_0 + sp_65 ->{0.0003} sp_71 + sp_70 | +BinaryLRxLR_16 + sp_65 <->{0.0003}{0.1126} sp_72 | +sp_72 + SpeciesL_3 ->{0.0003} sp_71 + sp_70 | +BinaryLRxLR_17 + sp_70 ->{0.0003} sp_75 + sp_74 + SpeciesL_3 + sp_73 + sp_51 | +BinaryLRxLR_8 + sp_41 <->{0.0003}{0.1126} sp_48 | +sp_48 + SpeciesR_2 ->{0.0003} sp_47 + sp_46 | +BinaryLRxLR_9 + sp_46 ->{0.0003} sp_78 + sp_77 + sp_24 + sp_76 + SpeciesR_2 | +BinaryLRxLR_11 + sp_46 <->{0.0003}{0.1126} sp_79 | +BinaryLRxLR_5 + sp_28 <->{0.0003}{0.1126} sp_39 | +BinaryLRxLR_3 + sp_28 <->{0.0003}{0.1126} sp_38 | +BinaryLRxLR_3 + sp_15 <->{0.0003}{0.1126} sp_22 | +BinaryLRxLR_2 + sp_11 <->{0.0003}{0.1126} sp_19 | +sp_19 + SpeciesL_2 ->{0.0003} sp_18 + sp_17 | +BinaryLRxLR_3 + sp_17 ->{0.0003} sp_82 + sp_81 + SpeciesL_2 + sp_80 + SpeciesR | +BinaryLRxLR_7 + sp_17 <->{0.0003}{0.1126} sp_84 | +BinaryLRxLR_5 + sp_17 <->{0.0003}{0.1126} sp_83 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Mapk_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Mapk_simulation/deterministic.tsv new file mode 100644 index 0000000..9b4f185 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Co-operative - Mapk_simulation/deterministic.tsv @@ -0,0 +1,993 @@ +Time sp_11 sp_41 sp_65 SpeciesR SpeciesL_1 SpeciesR_1 sp_24 sp_51 +0 0 0 0 10 100 100 0 0 +9.8104966754155 0.00229008192748314 2.52028169862757E-13 1.84904574223525E-34 9.15889092139958 91.6063819655365 91.6063914826264 1.07804504339048E-05 4.48647629353762E-16 +20.0248646299485 0.00679426999252045 4.31685081578455E-11 1.69106679547316E-28 8.90992490295408 89.1575379808364 89.1576640421864 0.00012349143216464 3.22771042648772E-13 +30.2915611269793 0.0116468384709333 6.02111641747881E-10 1.86908889203882E-25 8.83818541441124 88.490424253255 88.4908924213357 0.000430454048456626 9.04862474047689E-12 +40.5651255513385 0.0165250491545777 3.35744403004042E-09 1.78379148488696E-23 8.81478256752285 88.3098478826739 88.310931570362 0.000974424904287705 7.91049959189887E-11 +50.8632780610827 0.021399093299198 1.18421747923273E-08 5.0029684803591E-22 8.80439259921001 88.2603773689461 88.262362517856 0.00177741781801982 3.87929938979429E-10 +61.144212870321 0.0262507845485031 3.17776629051485E-08 6.72628373003165E-21 8.79753030865648 88.2461520594573 88.2493210700175 0.00284684356386704 1.34527474287995E-09 +71.4401399230601 0.0310997438430414 7.13903837721888E-08 5.62374495136901E-20 8.79160415648702 88.2411689716073 88.2458062494157 0.00419121744848946 3.72956479695575E-09 +81.7268716753199 0.0359374524701291 1.41252240650704E-07 3.35440487084862E-19 8.78593985375836 88.2384763021392 88.2448618454058 0.00581028082745365 8.81558966840716E-09 +92.0184622068117 0.0407721572346273 2.54654703188645E-07 1.56319604230921E-18 8.78034432745398 88.2361923376642 88.2446076202108 0.00770743593582977 1.85398828572568E-08 +102.186252854942 0.0455447020308741 4.2507917224431E-07 5.93517577864172E-18 8.77483754396376 88.2338438143949 88.2445396336134 0.00985513208930639 3.53715762880947E-08 +112.338744057449 0.0503064516793223 6.7097815187153E-07 1.94341483360321E-17 8.76934729468378 88.2312755184532 88.244521051384 0.0122708257850269 6.28930248337576E-08 +122.441395437255 0.0550414829901748 1.01086317273417E-06 5.62651427696237E-17 8.76388869164485 88.2284630760172 88.2445159463042 0.0149437159227079 1.05446819991715E-07 +132.57029232035 0.0597856446586144 1.46954230878456E-06 1.48259277267762E-16 8.75841965275614 88.225376700014 88.2445144929898 0.0178929419624177 1.69016696665228E-07 +142.68534569563 0.0645202444295362 2.07046655253941E-06 3.59721396781783E-16 8.75296157373772 88.2220256651461 88.2445140292993 0.0211071868620669 2.60407667262549E-07 +152.806757807071 0.0692547814447277 2.84215470109141E-06 8.1503399131551E-16 8.7475034753334 88.2184030547026 88.2445138107474 0.02459237610679 3.88249008442147E-07 +162.926245930422 0.0739854060764678 3.81399447266622E-06 1.73997920515033E-15 8.74204980271346 88.2145116649449 88.244513626418 0.0283456208504211 5.62528687395449E-07 +173.045626646424 0.0787129847425413 5.01845914043702E-06 3.52801499712947E-15 8.73659956747248 88.2103510338478 88.244513409666 0.0323672847642157 7.950654170988E-07 +183.165686179169 0.0834378942569332 6.49054717388301E-06 6.83808261238795E-15 8.73115234887044 88.2059210120757 88.2445131322932 0.0366574622692159 1.09955608031234E-06 +193.28498515787 0.0881594686535554 8.26729021549855E-06 1.27353282569171E-14 8.72570891854206 88.2012224423041 88.2445127752686 0.0412152906174991 1.49163933092855E-06 +203.404865599106 0.0928783384000328 1.03885665217169E-05 2.28936139746184E-14 8.72026855037413 88.1962549227484 88.2445123204206 0.0460411112197231 1.98919730499132E-06 +213.524390948204 0.0975940698309001 1.28962673191268E-05 3.98698818141752E-14 8.71483174488974 88.1910191210873 88.2445117482645 0.0511342246638997 2.61230568252456E-06 +223.64412354255 0.102306927597367 1.58351223275752E-05 6.74837574491759E-14 8.70939820378751 88.1855149714715 88.2445110371051 0.0564946408382458 3.38353920973416E-06 +233.763743865337 0.107016765055702 1.92519555574955E-05 1.11315574932807E-13 8.70396809596769 88.1797428652383 88.2445101628507 0.0621219220067169 4.32797919931233E-06 +243.883410678159 0.11172365814051 2.3196099243187E-05 1.79367631860436E-13 8.69854133217526 88.1737029378571 88.2445090987478 0.0680158767188195 5.47344035820369E-06 +254.003066015684 0.116427581785236 2.77192194458123E-05 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29.4630937927869 1.85929214084764 31.9689273778609 7.38163047592041 +9220 3.33389491646835 23.9275256424124 89.438359599904 5.01302866611468 29.3970902684847 1.82907835309256 31.9634833091955 7.29354543758297 +9230 3.336643658004 23.9908969741577 89.5706155438894 5.00997084030275 29.3311757518026 1.79928058966926 31.9579040839183 7.20615144813688 +9240 3.33939089674063 24.0543121255813 89.7016257584363 5.00691493583945 29.2653503349968 1.76989487417269 31.9521899540101 7.11944827310909 +9250 3.34213663336978 24.1177708154726 89.831395114076 5.00386095153209 29.1996141094069 1.74091726335822 31.9463411725133 7.03343552298517 +9260 3.34488086858091 24.1812727619088 89.9599286164574 5.00080888618867 29.1339671654573 1.71234384801011 31.9403579935257 6.94811265274131 +9270 3.3476236030614 24.2448176822541 90.0872314058499 4.99775873861794 29.0684095926585 1.68417075380989 31.9342406721949 6.86347896137633 +9280 3.35036483749657 24.3084052931601 90.2133087566477 4.99471050762936 29.0029414796083 1.65639414220475 31.9279894647119 6.77953359144373 +9290 3.3531045725697 24.3720353105656 90.3381660768725 4.99166419203313 28.9375629139933 1.62901021127597 31.9216046283051 6.69627552858371 +9300 3.35584280896199 24.4357074496962 90.4618089076778 4.98861979064016 28.8722739825898 1.60201519660734 31.9150864212344 6.61370360105515 +9310 3.3585795473526 24.4994214250643 90.5842429228516 4.98557730226208 28.8070747712658 1.57540537215355 31.9084351027847 6.53181647926769 +9320 3.3613147884098 24.5631771003592 90.7054678397063 4.98253672571128 28.7419653661728 1.5491717739039 31.9016509328113 6.45062420750197 +9330 3.36404853279703 24.6269743859649 90.8254815814634 4.97949805980088 28.6769458529335 1.52330380885857 31.8947341720401 6.37014031870319 +9340 3.36678078119936 24.690812790351 90.9442984994317 4.97646130334463 28.6120163130764 1.49780505009622 31.8876850834074 6.29034731921043 +9350 3.36951153428658 24.7546920461392 91.0619239414185 4.97342645515706 28.5471768290141 1.47267119566754 31.8805039301762 6.21124485625226 +9360 3.37224079272637 24.8186118868465 91.1783633200108 4.97039351405342 28.4824274822697 1.44789792967557 31.8731909765998 6.1328325406876 +9370 3.37496855718427 24.882572046937 91.2936221099742 4.96736247884966 28.4177683534784 1.42348092131978 31.8657464879157 6.05510995052437 +9380 3.37769482832372 24.9465722618734 91.4077058456515 4.96433334836248 28.3531995223898 1.39941582394015 31.8581707303389 5.97807663443815 +9390 3.38041960680608 25.0106122681688 91.5206201183615 4.96130612140927 28.2887210678689 1.37569827406126 31.8504639710563 5.90173211529087 +9400 3.38314289329056 25.0746918034382 91.6323705737975 4.95828079680816 28.2243330678982 1.35232389043641 31.8426264782201 5.82607589364943 +9410 3.3858646884343 25.1388106064505 91.7429629094262 4.95525737337798 28.1600355995794 1.32928827309168 31.8346585209418 5.75110745130444 +9420 3.38858499289233 25.2029684171797 91.8524028718862 4.9522358499383 28.095828739135 1.30658700237004 31.8265603692856 5.67682625478881 +9430 3.39130380731758 25.2671649768569 91.9606962543868 4.94921622530939 28.03171256191 1.28421563797545 31.8183322942629 5.60323175889647 +9440 3.39402113236088 25.3314000280219 92.0678488941067 4.94619849831224 27.9676871423739 1.26216971801692 31.8099745678253 5.53032341020102 +9450 3.39673696867099 25.3956733145746 92.1738666695926 4.94318266776856 27.9037525541219 1.24044475805267 31.8014874628591 5.45810065057439 +9460 3.39945131693872 25.459983631822 92.2787540402745 4.94016873250078 27.8399088699105 1.21904091196537 31.7928712530189 5.38655721011269 +9470 3.40216417781842 25.5243305161376 92.3825166367471 4.93715669133203 27.7761561615994 1.19795467982107 31.7841262130057 5.31569126708926 +9480 3.40487555193884 25.5887140114526 92.4851608997444 4.93414654308617 27.712494500162 1.17718005303609 31.7752526185211 5.24550404750975 +9490 3.40758543994841 25.6531336947263 92.5866925819412 4.93113828658778 27.6489239557207 1.15671329584756 31.7662507460976 5.17599397031285 +9500 3.41029384249428 25.7175891275323 92.6871174382785 4.92813192066213 27.5854445975332 1.1365507286062 31.7571208731682 5.10715936511274 +9510 3.41300076022236 25.7820798554408 92.7864412223355 4.92512744413522 27.5220564939941 1.11668873010387 31.7478632780599 5.03899847169569 +9520 3.41570619377732 25.8466054074013 92.8846696827016 4.92212485583377 27.4587597126365 1.09712373990104 31.7384782399878 4.9715094395166 +9530 3.41841014380263 25.911165295125 92.9818085593478 4.9191241545852 27.395554320134 1.0778522606544 31.7289660390483 4.90469032719557 +9540 3.42111261094065 25.9757590124674 93.0778635799989 4.91612533921765 27.3324403823023 1.05887086044433 31.719326956213 4.83853910201445 +9550 3.42381359580599 26.0403866096759 93.1728421740419 4.91312840855996 27.2694179640357 1.04017649970938 31.7095612734066 4.77305287159106 +9560 3.42651309890719 26.1050503882519 93.2667585345176 4.9101333614417 27.2064871291176 1.02176749095401 31.699669273749 4.70822561879688 +9570 3.42921112096255 26.1697480715404 93.3596132119635 4.90714019669313 27.143647940994 1.00363964508665 31.6896512405484 4.64405732217748 +9580 3.43190766259354 26.2344794346496 93.4514129209817 4.90414891314523 27.0809004620258 0.985790017788242 31.6795074582666 4.58054509932714 +9590 3.4346027244188 26.2992442714481 93.5421644644092 4.90115950962971 27.0182447537201 0.968215764220144 31.6692382122149 4.5176859209549 +9600 3.43729630705408 26.3640423957813 93.6318747351705 4.89817198497896 26.9556808767319 0.950914142387421 31.6588437885476 4.45547660793108 +9610 3.43998841111222 26.428873642689 93.7205507181298 4.89518633802609 26.8932088908654 0.933882516502162 31.6483244742567 4.39391382833381 +9620 3.4426790372031 26.4937378696216 93.8081994919436 4.89220256760493 26.8308288550758 0.91711836034678 31.6376805571651 4.33299409449564 +9630 3.44536818593354 26.5586349576573 93.8948282309125 4.88922067255 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25.4818401945718 0.608892842085487 31.3725825820879 3.14953694518388 +9850 3.50415692287572 27.9939579639695 95.5571828610454 4.82409109902005 25.421589366641 0.597362053840221 31.3591540656266 3.10253676293099 +9860 3.50681225950837 28.0595107207435 95.6223658723596 4.8211520173417 25.3614316551393 0.5860264230829 31.3456080879904 3.05609527017607 +9870 3.50946613309937 28.1250874584394 95.6867050163636 4.81821478326971 25.3013670985228 0.574883959190594 31.3319449557981 3.01020810498545 +9880 3.51211854422057 28.1906878023633 95.7502072606805 4.8152793956562 25.2413957344537 0.563932788456669 31.3181649763383 2.96487084916905 +9890 3.51476949344186 28.2563113818774 95.8128794805277 4.81234585335396 25.1815175998025 0.553171158955502 31.3042684575635 2.92007902871791 +9900 3.51741898133111 28.3219578309906 95.8747284519273 4.80941415521649 25.1217327306499 0.542597445407198 31.2902557080834 2.8758281142418 +9910 3.52006700845421 28.3876267889497 95.9357608449169 4.80648430009798 25.0620411622887 0.532210154042308 31.2761270371589 2.83211352140673 +9920 3.522713575375 28.4533179008297 95.9959832167595 4.80355628685333 25.002442929226 0.522007927466545 31.2618827546956 2.78893061137252 +9930 3.52535868266318 28.5190322197278 96.0554045798963 4.80063011433811 24.9429380650959 0.511983080170518 31.2475231713175 2.74627969620879 +9940 3.52800233088985 28.5847714259316 96.1140349596851 4.7977057814086 24.8835266027113 0.50212521019355 31.2330485983154 2.70416324895357 +9950 3.53064452060819 28.6505343764025 96.1718790479353 4.79478328692179 24.8242085742857 0.492437133203725 31.2184593474466 2.66257358050722 +9960 3.53328525237797 28.7163214808705 96.2289442339083 4.79186262973533 24.7649840111565 0.482914691425625 31.2037557311752 2.62150846453773 +9970 3.53592452675747 28.7821332681746 96.2852379628144 4.7889438087076 24.7058529438783 0.47355337854799 31.1889380625853 2.58096601636104 +9980 3.53856234430354 28.8479703938556 96.3407677418852 4.78602682269764 24.6468154022247 0.464348312271239 31.174006655375 2.54094471838059 +9990 3.54119870557162 28.9138336477481 96.3955411464458 4.78311167056522 24.5878714151899 0.455294206854984 31.1589618238502 2.50144344552689 +10000 3.54383361111378 28.9797170687311 96.4495652784022 4.78019835117076 24.5290210111638 0.446398402116336 31.1438038829328 2.46244777605283 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized Fanout) SQRT.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized Fanout) SQRT.crn new file mode 100644 index 0000000..2eb8024 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized Fanout) SQRT.crn @@ -0,0 +1,94 @@ +directive sample 0.0,11000.0 2000 +directive reltolerance 1e-05 +directive plot M0; M1; L0; L1 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND_5 1000.0 | +init AND_4 1000.0 | +init AND_3 1000.0 | +init AND_2 1000.0 | +init AND_1 1000.0 | +init AND 1000.0 | +init FANOUT_3 2000.0 | +init FANOUT_2 1000.0 | +init FANOUT_1 2000.0 | +init FANOUT 1000.0 | +init OR_11 1000.0 | +init OR_10 1000.0 | +init OR_9 1000.0 | +init OR_8 1000.0 | +init OR_7 1000.0 | +init OR_6 1000.0 | +init OR_5 1000.0 | +init OR_4 1000.0 | +init OR_3 1000.0 | +init OR_2 1000.0 | +init OR_1 1000.0 | +init OR 1000.0 | +init REPORTER_3 1000.0 | +init REPORTER_2 1000.0 | +init REPORTER_1 1000.0 | +init REPORTER 1000.0 | +init STRAND_7 3000.0 | +init STRAND_5 3000.0 | +init STRAND_3 3000.0 | +init STRAND_1 3000.0 | +init THREEINPUTAND 1000.0 | +init THREEINPUTOR_2 1000.0 | +init THREEINPUTOR_1 1000.0 | +init THREEINPUTOR 1000.0 | +OR_4 + STRAND_7 ->{0.0003} sp_4 + sp_1 + sp_3 | +OR + STRAND_7 ->{0.0003} sp_2 + sp_1 + sp_0 | +AND_4 + sp_3 ->{0.0003} sp_7 + sp_6 + sp_5 | +AND_3 + STRAND_6 ->{0.0003} sp_11 + sp_9 + sp_8 | +AND + STRAND_6 ->{0.0003} sp_10 + sp_9 + sp_8 | +OR_5 + STRAND_5 ->{0.0003} sp_16 + sp_13 + sp_15 | +OR_1 + STRAND_5 ->{0.0003} sp_14 + sp_13 + sp_12 | +AND_4 + sp_15 ->{0.0003} sp_17 + sp_6 + sp_5 | +sp_11 + STRAND_4 ->{0.0003} sp_22 + sp_19 + sp_21 | +sp_10 + STRAND_4 ->{0.0003} sp_20 + sp_19 + sp_18 | +OR_2 + sp_18 ->{0.0003} sp_25 + sp_24 + sp_23 | +AND_1 + STRAND_3 ->{0.0003} sp_30 + sp_27 + sp_29 | +OR_10 + STRAND_3 ->{0.0003} sp_28 + sp_27 + sp_26 | +REPORTER_3 + sp_26 ->{0.0003} sp_31 + M1 | +AND_5 + STRAND_2 ->{0.0003} sp_36 + sp_33 + sp_35 | +OR_7 + STRAND_2 ->{0.0003} sp_34 + sp_33 + sp_32 | +sp_7 + sp_32 ->{0.0003} sp_40 + sp_38 + sp_37 | +sp_17 + sp_32 ->{0.0003} sp_39 + sp_38 + sp_37 | +OR_9 + sp_37 ->{0.0003} sp_43 + sp_42 + sp_41 | +REPORTER_1 + sp_41 ->{0.0003} sp_44 + L1 | +FANOUT_3 + STRAND_1 ->{0.0003} sp_49 + sp_46 + sp_48 | +OR_11 + STRAND_1 ->{0.0003} sp_47 + sp_46 + sp_45 | +sp_49 + FANOUT_2 <->{0.0003}{0.0003} sp_50 + STRAND_1 | +OR_6 + sp_48 ->{0.0003} sp_53 + sp_52 + sp_51 | +sp_7 + sp_51 ->{0.0003} sp_55 + sp_38 + sp_37 | +sp_17 + sp_51 ->{0.0003} sp_54 + sp_38 + sp_37 | +REPORTER_3 + sp_45 ->{0.0003} sp_56 + M1 | +FANOUT_1 + STRAND ->{0.0003} sp_61 + sp_58 + sp_60 | +sp_36 + STRAND ->{0.0003} sp_59 + sp_58 + sp_57 | +sp_61 + FANOUT <->{0.0003}{0.0003} sp_62 + STRAND | +sp_30 + sp_60 ->{0.0003} sp_65 + sp_64 + sp_63 | +OR_3 + sp_63 ->{0.0003} sp_68 + sp_67 + sp_66 | +REPORTER_2 + sp_57 ->{0.0003} sp_69 + M0 | +THREEINPUTAND + sp_48 ->{0.0003} sp_71 + sp_52 + sp_70 | +sp_71 + STRAND_3 ->{0.0003} sp_73 + sp_27 + sp_72 | +sp_73 + sp_21 ->{0.0003} sp_76 + sp_75 + sp_74 | +OR_8 + sp_74 ->{0.0003} sp_79 + sp_78 + sp_77 | +REPORTER_1 + sp_77 ->{0.0003} sp_80 + L1 | +THREEINPUTOR_2 + sp_60 ->{0.0003} sp_82 + sp_64 + sp_81 | +AND_2 + sp_81 ->{0.0003} sp_85 + sp_84 + sp_83 | +sp_85 + sp_23 ->{0.0003} sp_89 + sp_87 + sp_86 | +sp_85 + sp_66 ->{0.0003} sp_88 + sp_87 + sp_86 | +REPORTER + sp_86 ->{0.0003} sp_90 + L0 | +THREEINPUTOR_1 + STRAND_2 ->{0.0003} sp_92 + sp_33 + sp_91 | +AND_2 + sp_91 ->{0.0003} sp_93 + sp_84 + sp_83 | +sp_93 + sp_23 ->{0.0003} sp_95 + sp_87 + sp_86 | +sp_93 + sp_66 ->{0.0003} sp_94 + sp_87 + sp_86 | +THREEINPUTOR + sp_0 ->{0.0003} sp_99 + sp_97 + sp_96 | +THREEINPUTOR + sp_12 ->{0.0003} sp_98 + sp_97 + sp_96 | +AND_2 + sp_96 ->{0.0003} sp_100 + sp_84 + sp_83 | +sp_100 + sp_23 ->{0.0003} sp_102 + sp_87 + sp_86 | +sp_100 + sp_66 ->{0.0003} sp_101 + sp_87 + sp_86 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized Fanout) SQRT_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized Fanout) SQRT_simulation/deterministic.tsv new file mode 100644 index 0000000..138b1f8 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized Fanout) SQRT_simulation/deterministic.tsv @@ -0,0 +1,1811 @@ +Time M0 M1 L0 L1 +0 0 0 0 0 +5.47806945523523 0 780.343984177987 0 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-2.48323454799796E-17 998.937308575329 +10989 0 1000 -2.48444315725548E-17 998.937840773168 +10994.5 0 1000 -2.48565173475174E-17 998.938372435938 +11000 0 1000 -2.48686027972581E-17 998.938903564401 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout.crn new file mode 100644 index 0000000..5c8e13e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout.crn @@ -0,0 +1,14 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init FANOUT_1 2.0 | +init FANOUT 1.0 | +init INPUT 1.0 | +init REPORTER 10.0 | +FANOUT_1 + INPUT ->{0.0003} sp_2 + sp_1 + sp_0 | +sp_2 + FANOUT <->{0.0003}{0.0003} sp_3 + INPUT | +REPORTER + sp_0 ->{0.0003} sp_4 + OUTPUT diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/deterministic.tsv new file mode 100644 index 0000000..e3e6531 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/deterministic.tsv @@ -0,0 +1,68 @@ +Time OUTPUT +0 0 +1.35676877047915 1.6538203640227E-06 +3.4334556640697 1.05625295960607E-05 +6.10251250554689 3.32519904225724E-05 +8.77156934702409 6.84622899325968E-05 +11.4406261885013 0.00011606310453618 +14.1096830299785 0.000175925211071728 +19.1901429427592 0.00032329290519143 +24.2706028555399 0.000513749849029699 +29.3510627683206 0.000746437877008732 +34.4315226811013 0.00102051248270386 +43.2228081313031 0.00159011224571985 +52.0140935815049 0.00227695265696143 +60.8053790317067 0.00307694831861602 +69.5966644819085 0.00398612456956202 +84.6218849401816 0.00578177387597866 +99.6471053984547 0.00786664492929493 +114.672325856728 0.0102231537856204 +129.697546315001 0.0128345027981956 +151.175442872636 0.016978440605833 +172.653339430272 0.0215672418215329 +194.131235987907 0.0265604437946701 +215.609132545542 0.03192006878004 +245.47819484822 0.0399177727884441 +275.347257150897 0.0484718152721173 +305.216319453574 0.057505393230172 +335.085381756252 0.0669477907909612 +373.619081648187 0.0796342255767373 +412.152781540123 0.0927824648578673 +450.686481432059 0.106291491277842 +489.220181323995 0.12006960031309 +538.367293579066 0.137916477334015 +587.514405834137 0.155950301434747 +636.661518089208 0.174064246590028 +685.80863034428 0.192161742127966 +741.698949733978 0.212637450617265 +797.589269123677 0.23292211537104 +853.479588513376 0.252953392054981 +909.369907903074 0.272674842551891 +976.798764890994 0.296010975734067 +1044.22762187891 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a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..b08069c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/deterministicstiff.tsv @@ -0,0 +1,67 @@ +Time OUTPUT +0 0 +1.67981392061522 2.53538595585975E-06 +3.38381781293433 1.02609881957637E-05 +5.19961774087653 2.41687874891031E-05 +7.09569120620632 4.4896829362428E-05 +9.61936498856027 8.22401914026672E-05 +11.7504588221124 0.000122375041700044 +14.3290823607105 0.000181367958218877 +17.4492168424141 0.00026786274050577 +19.2470086152053 0.000325141125498184 +21.2245795652756 0.000394373669310114 +23.3999076103529 0.000478004140230206 +25.7927684599379 0.000578963789848596 +28.4249153944814 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a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/lna.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/lna.tsv new file mode 100644 index 0000000..23a4441 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/lna.tsv @@ -0,0 +1,82 @@ +Time OUTPUT (Mean) OUTPUT (Std) +0 0 0 +0.0276891585812072 6.89995715277753E-10 2.62677695002534E-05 +2.04899773500934 3.7685041410834E-06 0.00194125770162138 +5.57916174437408 2.78120608820225E-05 0.00527359764086264 +7.72486782467846 5.317021474495E-05 0.00729148204459955 +9.87057390498284 8.656910830899E-05 0.00930360965332958 +12.0162799852872 0.000127941320973421 0.0113099614309637 +15.9803524262855 0.000225120453871941 0.0150013287988544 +19.9444248672838 0.000348866743189291 0.0186727943782725 +23.9084973082821 0.000498767519882971 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a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/lnastiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/lnastiff.tsv new file mode 100644 index 0000000..412c84d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/lnastiff.tsv @@ -0,0 +1,66 @@ +Time OUTPUT (Mean) OUTPUT (Std) +0 0 0 +0.0547380394778256 3.59499191168335E-09 5.99582507380914E-05 +1.96781773248938 3.4775668596726E-06 0.00186481813148693 +3.90844651476213 1.3679629937739E-05 0.00369855667826636 +5.97639578347983 3.189669234321E-05 0.00564756787698579 +8.13576569848325 5.89428918472746E-05 0.00767705706698487 +9.95922637806817 8.81150259599297E-05 0.00938628447138562 +12.1656138003659 0.000131104099092862 0.0114488447692724 +14.8353425813462 0.000194282062446542 0.0139363032022504 +18.0657144063323 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b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) Fanout_simulation/sundialsstiff.tsv @@ -0,0 +1,2002 @@ +Time OUTPUT +0 0 +1.8 2.99241019899309E-06 +3.6 1.17292777196804E-05 +5.4 2.61629470612404E-05 +7.2 4.62842954043441E-05 +9 7.20439152257142E-05 +10.8 0.000103052397219004 +12.6 0.000139628605341972 +14.4 0.000181772539594617 +16.2 0.000229484199976941 +18 0.000282763586488942 +19.8 0.000341610699130622 +21.6 0.000405719664116934 +23.4 0.000474795113787631 +25.2 0.000549225616530683 +27 0.00062901117234609 +28.8 0.000714151781233852 +30.6 0.00080464744319397 +32.4 0.000900498158226443 +34.2 0.00100111063114645 +36 0.00110660126193372 +37.8 0.00121721131958447 +39.6 0.00133294080409869 +41.4 0.0014537897154764 +43.2 0.0015797580537176 +45 0.00171084581882227 +46.8 0.00184618182962508 +48.6 0.00198636593755409 +50.4 0.00213143236278594 +52.2 0.00228138110532064 +54 0.00243621216515819 +55.8 0.00259592554229858 +57.6 0.00276035339658342 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0.864535563228974 +3592.8 0.864788644057134 +3594.6 0.865041615930313 +3596.4 0.865294478848511 +3598.2 0.865547232811727 +3600 0.865799877819962 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) SQRT.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) SQRT.crn new file mode 100644 index 0000000..93baeb6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) SQRT.crn @@ -0,0 +1,102 @@ +directive sample 0.0,10000.0 2000 +directive plot M0; M1; L0; L1 +directive reltolerance 1e-05 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND_5 1000.0 | +init AND_4 1000.0 | +init AND_3 1000.0 | +init AND_2 1000.0 | +init AND_1 1000.0 | +init AND 1000.0 | +init FANOUT_3 2000.0 | +init FANOUT_2 1000.0 | +init FANOUT_1 2000.0 | +init FANOUT 1000.0 | +init OR_11 1000.0 | +init OR_10 1000.0 | +init OR_9 1000.0 | +init OR_8 1000.0 | +init OR_7 1000.0 | +init OR_6 1000.0 | +init OR_5 1000.0 | +init OR_4 1000.0 | +init OR_3 1000.0 | +init OR_2 1000.0 | +init OR_1 1000.0 | +init OR 1000.0 | +init REPORTER_3 1000.0 | +init REPORTER_2 1000.0 | +init REPORTER_1 1000.0 | +init REPORTER 1000.0 | +init STRAND_23 1000.0 | +init STRAND_21 1000.0 | +init STRAND_19 1000.0 | +init STRAND_17 1000.0 | +init STRAND_15 1000.0 | +init STRAND_13 1000.0 | +init STRAND_11 1000.0 | +init STRAND_9 1000.0 | +init STRAND_7 1000.0 | +init STRAND_5 1000.0 | +init STRAND_3 1000.0 | +init STRAND_1 1000.0 | +init THREEINPUTAND 1000.0 | +init THREEINPUTOR_2 1000.0 | +init THREEINPUTOR_1 1000.0 | +init THREEINPUTOR 1000.0 | +OR_10 + STRAND_19 ->{0.0025} sp_2 + sp_1 + sp_0 | +REPORTER_3 + sp_0 ->{0.0025} sp_3 + M1 | +AND_5 + STRAND_18 ->{0.0025} sp_6 + sp_5 + sp_4 | +OR_11 + STRAND_17 ->{0.0025} sp_9 + sp_8 + sp_7 | +REPORTER_3 + sp_7 ->{0.0025} sp_10 + M1 | +sp_6 + STRAND_16 ->{0.0025} sp_13 + sp_12 + sp_11 | +REPORTER_2 + sp_11 ->{0.0025} sp_14 + M0 | +OR_4 + STRAND_15 ->{0.0025} sp_17 + sp_16 + sp_15 | +AND_4 + sp_15 ->{0.0025} sp_20 + sp_19 + sp_18 | +AND_3 + STRAND_14 ->{0.0025} sp_23 + sp_22 + sp_21 | +OR_5 + STRAND_13 ->{0.0025} sp_26 + sp_25 + sp_24 | +AND_4 + sp_24 ->{0.0025} sp_27 + sp_19 + sp_18 | +sp_23 + STRAND_12 ->{0.0025} sp_30 + sp_29 + sp_28 | +OR_7 + STRAND_10 ->{0.0025} sp_33 + sp_32 + sp_31 | +sp_20 + sp_31 ->{0.0025} sp_37 + sp_35 + sp_34 | +sp_27 + sp_31 ->{0.0025} sp_36 + sp_35 + sp_34 | +OR_9 + sp_34 ->{0.0025} sp_40 + sp_39 + sp_38 | +REPORTER_1 + sp_38 ->{0.0025} sp_41 + L1 | +FANOUT_3 + STRAND_9 ->{0.0025} sp_44 + sp_43 + sp_42 | +sp_44 + FANOUT_2 <->{0.0025}{0.0025} sp_45 + STRAND_9 | +OR_6 + sp_42 ->{0.0025} sp_48 + sp_47 + sp_46 | +sp_20 + sp_46 ->{0.0025} sp_50 + sp_35 + sp_34 | +sp_27 + sp_46 ->{0.0025} sp_49 + sp_35 + sp_34 | +OR + STRAND_7 ->{0.0025} sp_53 + sp_52 + sp_51 | +AND + STRAND_6 ->{0.0025} sp_56 + sp_55 + sp_54 | +OR_1 + STRAND_5 ->{0.0025} sp_59 + sp_58 + sp_57 | +sp_56 + STRAND_4 ->{0.0025} sp_62 + sp_61 + sp_60 | +OR_2 + sp_60 ->{0.0025} sp_65 + sp_64 + sp_63 | +AND_1 + STRAND_3 ->{0.0025} sp_68 + sp_67 + sp_66 | +FANOUT_1 + STRAND ->{0.0025} sp_71 + sp_70 + sp_69 | +sp_71 + FANOUT <->{0.0025}{0.0025} sp_72 + STRAND | +sp_68 + sp_69 ->{0.0025} sp_75 + sp_74 + sp_73 | +OR_3 + sp_73 ->{0.0025} sp_78 + sp_77 + sp_76 | +THREEINPUTAND + sp_42 ->{0.0025} sp_80 + sp_47 + sp_79 | +sp_80 + STRAND_11 ->{0.0025} sp_83 + sp_82 + sp_81 | +sp_83 + sp_28 ->{0.0025} sp_86 + sp_85 + sp_84 | +OR_8 + sp_84 ->{0.0025} sp_89 + sp_88 + sp_87 | +REPORTER_1 + sp_87 ->{0.0025} sp_90 + L1 | +THREEINPUTOR_2 + sp_69 ->{0.0025} sp_92 + sp_74 + sp_91 | +AND_2 + sp_91 ->{0.0025} sp_95 + sp_94 + sp_93 | +sp_95 + sp_63 ->{0.0025} sp_99 + sp_97 + sp_96 | +sp_95 + sp_76 ->{0.0025} sp_98 + sp_97 + sp_96 | +REPORTER + sp_96 ->{0.0025} sp_100 + L0 | +THREEINPUTOR_1 + STRAND_2 ->{0.0025} sp_103 + sp_102 + sp_101 | +AND_2 + sp_101 ->{0.0025} sp_104 + sp_94 + sp_93 | +sp_104 + sp_63 ->{0.0025} sp_106 + sp_97 + sp_96 | +sp_104 + sp_76 ->{0.0025} sp_105 + sp_97 + sp_96 | +THREEINPUTOR + sp_51 ->{0.0025} sp_110 + sp_108 + sp_107 | +THREEINPUTOR + sp_57 ->{0.0025} sp_109 + sp_108 + sp_107 | +AND_2 + sp_107 ->{0.0025} sp_111 + sp_94 + sp_93 | +sp_111 + sp_63 ->{0.0025} sp_113 + sp_97 + sp_96 | +sp_111 + sp_76 ->{0.0025} sp_112 + sp_97 + sp_96 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) SQRT_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) SQRT_simulation/deterministic.tsv new file mode 100644 index 0000000..e653d3a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - (localized) SQRT_simulation/deterministic.tsv @@ -0,0 +1,1988 @@ +Time M0 M1 L0 L1 +0 0 0 0 0 +4.98107127806851 0 999.882137199134 0 648.401610942719 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b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And.crn @@ -0,0 +1,12 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND 10.0 | +init REPORTER 10.0 | +AND + INPUT_A ->{0.0003} sp_2 + sp_1 + sp_0 | +sp_2 + INPUT_B ->{0.0003} sp_5 + sp_4 + sp_3 | +REPORTER + sp_3 ->{0.0003} sp_6 + OUTPUT diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/deterministic.tsv new file mode 100644 index 0000000..76c3486 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/deterministic.tsv @@ -0,0 +1,3 @@ +Time OUTPUT +0 0 +3599.999964 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..76c3486 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/deterministicstiff.tsv @@ -0,0 +1,3 @@ +Time OUTPUT +0 0 +3599.999964 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/lna.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/lna.tsv new file mode 100644 index 0000000..d3c0860 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/lna.tsv @@ -0,0 +1,3 @@ +Time OUTPUT (Mean) OUTPUT (Std) +0 0 0 +3600 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/lnastiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/lnastiff.tsv new file mode 100644 index 0000000..d3c0860 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/lnastiff.tsv @@ -0,0 +1,3 @@ +Time OUTPUT (Mean) OUTPUT (Std) +0 0 0 +3600 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/sundials.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/sundials.tsv new file mode 100644 index 0000000..cde4fb0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - And_simulation/sundials.tsv @@ -0,0 +1,2002 @@ +Time OUTPUT +0 0 +1.8 0 +3.6 0 +5.4 0 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b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Fanout.crn @@ -0,0 +1,15 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init FANOUT_1 1.0 | +init FANOUT 1.0 | +init INPUT 1.0 | +init REPORTER 10.0 | +FANOUT_1 + INPUT ->{0.0003} sp_2 + sp_1 + sp_0 | +sp_2 + FANOUT ->{0.0003} sp_5 + sp_4 + sp_3 | +REPORTER + sp_3 ->{0.0003} sp_7 + OUTPUT | +REPORTER + sp_0 ->{0.0003} sp_6 + OUTPUT diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Fanout_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Fanout_simulation/deterministic.tsv new file mode 100644 index 0000000..c5c9fb3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Fanout_simulation/deterministic.tsv @@ -0,0 +1,66 @@ +Time OUTPUT +0 0 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100644 index 0000000..08299d7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or.crn @@ -0,0 +1,14 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init OR_1 10.0 | +init OR 10.0 | +init REPORTER 10.0 | +OR_1 + INPUT_B ->{0.0003} sp_2 + sp_1 + sp_0 | +OR + INPUT_A ->{0.0003} sp_5 + sp_4 + sp_3 | +REPORTER + sp_0 ->{0.0003} sp_7 + OUTPUT | +REPORTER + sp_3 ->{0.0003} sp_6 + OUTPUT diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/deterministic.tsv new file mode 100644 index 0000000..76c3486 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/deterministic.tsv @@ -0,0 +1,3 @@ +Time OUTPUT +0 0 +3599.999964 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..76c3486 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/deterministicstiff.tsv @@ -0,0 +1,3 @@ +Time OUTPUT +0 0 +3599.999964 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/lna.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/lna.tsv new file mode 100644 index 0000000..d3c0860 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/lna.tsv @@ -0,0 +1,3 @@ +Time OUTPUT (Mean) OUTPUT (Std) +0 0 0 +3600 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/lnastiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/lnastiff.tsv new file mode 100644 index 0000000..d3c0860 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/lnastiff.tsv @@ -0,0 +1,3 @@ +Time OUTPUT (Mean) OUTPUT (Std) +0 0 0 +3600 0 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/sundials.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/sundials.tsv new file mode 100644 index 0000000..cde4fb0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - Or_simulation/sundials.tsv @@ -0,0 +1,2002 @@ 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new file mode 100644 index 0000000..49bdd9b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - SQRT.crn @@ -0,0 +1,99 @@ +directive sample 0.0,36000.0 2000 +directive plot M0; M1; L0; L1 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AND_5 20.0 | +init AND_4 20.0 | +init AND_3 20.0 | +init AND_2 20.0 | +init AND_1 20.0 | +init AND 20.0 | +init FANOUT2_3 20.0 | +init FANOUT2_2 20.0 | +init FANOUT2_1 20.0 | +init FANOUT2 20.0 | +init OR_11 20.0 | +init OR_10 20.0 | +init OR_9 20.0 | +init OR_8 20.0 | +init OR_7 20.0 | +init OR_6 20.0 | +init OR_5 20.0 | +init OR_4 20.0 | +init OR_3 20.0 | +init OR_2 20.0 | +init OR_1 20.0 | +init OR 20.0 | +init REPORTER_3 20.0 | +init REPORTER_2 20.0 | +init REPORTER_1 20.0 | +init REPORTER 20.0 | +init STRAND_6 20.0 | +init STRAND_4 20.0 | +init STRAND_3 20.0 | +init STRAND_1 20.0 | +init THREEINPUTAND 20.0 | +init THREEINPUTOR_2 20.0 | +init THREEINPUTOR_1 20.0 | +init THREEINPUTOR 20.0 | +OR_4 + STRAND_7 ->{0.0003} sp_4 + sp_1 + sp_3 | +OR + STRAND_7 ->{0.0003} sp_2 + sp_1 + sp_0 | +AND_4 + sp_3 ->{0.0003} sp_7 + sp_6 + sp_5 | +AND_3 + STRAND_6 ->{0.0003} sp_11 + sp_9 + sp_8 | +AND + STRAND_6 ->{0.0003} sp_10 + sp_9 + sp_8 | +OR_5 + STRAND_5 ->{0.0003} sp_16 + sp_13 + sp_15 | +OR_1 + STRAND_5 ->{0.0003} sp_14 + sp_13 + sp_12 | +AND_4 + sp_15 ->{0.0003} sp_17 + sp_6 + sp_5 | +sp_11 + STRAND_4 ->{0.0003} sp_22 + sp_19 + sp_21 | +sp_10 + STRAND_4 ->{0.0003} sp_20 + sp_19 + sp_18 | +OR_2 + sp_18 ->{0.0003} sp_25 + sp_24 + sp_23 | +AND_1 + STRAND_3 ->{0.0003} sp_30 + sp_27 + sp_29 | +OR_10 + STRAND_3 ->{0.0003} sp_28 + sp_27 + sp_26 | +REPORTER_3 + sp_26 ->{0.0003} sp_31 + M1 | +AND_5 + STRAND_2 ->{0.0003} sp_36 + sp_33 + sp_35 | +OR_7 + STRAND_2 ->{0.0003} sp_34 + sp_33 + sp_32 | +sp_7 + sp_32 ->{0.0003} sp_40 + sp_38 + sp_37 | +sp_17 + sp_32 ->{0.0003} sp_39 + sp_38 + sp_37 | +OR_9 + sp_37 ->{0.0003} sp_43 + sp_42 + sp_41 | +REPORTER_1 + sp_41 ->{0.0003} sp_44 + L1 | +FANOUT2_3 + STRAND_1 ->{0.0003} sp_49 + sp_46 + sp_48 | +OR_11 + STRAND_1 ->{0.0003} sp_47 + sp_46 + sp_45 | +sp_49 + FANOUT2_2 ->{0.0003} sp_52 + sp_51 + sp_50 | +OR_6 + sp_50 ->{0.0003} sp_55 + sp_54 + sp_53 | +sp_7 + sp_53 ->{0.0003} sp_57 + sp_38 + sp_37 | +sp_17 + sp_53 ->{0.0003} sp_56 + sp_38 + sp_37 | +OR_6 + sp_48 ->{0.0003} sp_58 + sp_54 + sp_53 | +REPORTER_3 + sp_45 ->{0.0003} sp_59 + M1 | +FANOUT2_1 + STRAND ->{0.0003} sp_64 + sp_61 + sp_63 | +sp_36 + STRAND ->{0.0003} sp_62 + sp_61 + sp_60 | +sp_64 + FANOUT2 ->{0.0003} sp_66 + sp_51 + sp_65 | +sp_30 + sp_65 ->{0.0003} sp_69 + sp_68 + sp_67 | +OR_3 + sp_67 ->{0.0003} sp_72 + sp_71 + sp_70 | +sp_30 + sp_63 ->{0.0003} sp_73 + sp_68 + sp_67 | +REPORTER_2 + sp_60 ->{0.0003} sp_74 + M0 | +THREEINPUTAND + sp_50 ->{0.0003} sp_77 + sp_54 + sp_75 | +THREEINPUTAND + sp_48 ->{0.0003} sp_76 + sp_54 + sp_75 | +sp_77 + STRAND_3 ->{0.0003} sp_79 + sp_27 + sp_78 | +sp_79 + sp_21 ->{0.0003} sp_82 + sp_81 + sp_80 | +OR_8 + sp_80 ->{0.0003} sp_85 + sp_84 + sp_83 | +REPORTER_1 + sp_83 ->{0.0003} sp_86 + L1 | +sp_76 + STRAND_3 ->{0.0003} sp_87 + sp_27 + sp_78 | +sp_87 + sp_21 ->{0.0003} sp_88 + sp_81 + sp_80 | +THREEINPUTOR_2 + sp_65 ->{0.0003} sp_91 + sp_68 + sp_89 | +THREEINPUTOR_2 + sp_63 ->{0.0003} sp_90 + sp_68 + sp_89 | +AND_2 + sp_89 ->{0.0003} sp_94 + sp_93 + sp_92 | +sp_94 + sp_23 ->{0.0003} sp_98 + sp_96 + sp_95 | +sp_94 + sp_70 ->{0.0003} sp_97 + sp_96 + sp_95 | +REPORTER + sp_95 ->{0.0003} sp_99 + L0 | +THREEINPUTOR_1 + STRAND_2 ->{0.0003} sp_101 + sp_33 + sp_100 | +AND_2 + sp_100 ->{0.0003} sp_102 + sp_93 + sp_92 | +sp_102 + sp_23 ->{0.0003} sp_104 + sp_96 + sp_95 | +sp_102 + sp_70 ->{0.0003} sp_103 + sp_96 + sp_95 | +THREEINPUTOR + sp_0 ->{0.0003} sp_108 + sp_106 + sp_105 | +THREEINPUTOR + sp_12 ->{0.0003} sp_107 + sp_106 + sp_105 | +AND_2 + sp_105 ->{0.0003} sp_109 + sp_93 + sp_92 | +sp_109 + sp_23 ->{0.0003} sp_111 + sp_96 + sp_95 | +sp_109 + sp_70 ->{0.0003} sp_110 + sp_96 + sp_95 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - SQRT_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - SQRT_simulation/deterministic.tsv new file mode 100644 index 0000000..4296da3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - SQRT_simulation/deterministic.tsv @@ -0,0 +1,382 @@ +Time M0 M1 L0 L1 +0 0 0 0 0 +17.6219223939339 0 0.194311561299406 0 5.72864692659499E-11 +37.0338459865485 0 0.737394603293948 0 1.58528799943187E-08 +54.1406012073266 0 1.38380967535767 0 2.52646915559785E-07 +73.0956017573735 0 2.19433922699001 0 2.09622176222639E-06 +91.8374321832178 0 3.03401863040235 0 9.91905793815028E-06 +113.886018545174 0 4.01966920090191 0 4.07902393414908E-05 +138.967270512569 0 5.09640632771036 0 0.000143398650004444 +165.367678006342 0 6.152322307549 0 0.000411025949963057 +183.428038841892 0 6.8230887040148 0 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Analysis - SQRT_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - SQRT_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..f6700c8 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Formal Analysis - SQRT_simulation/deterministicstiff.tsv @@ -0,0 +1,72 @@ +Time M0 M1 L0 L1 +0 0 0 0 0 +17.4793695592224 0 0.191270484566597 0 6.44445776304614E-11 +34.0684309140147 0 0.63782303182878 0 1.00258352825257E-08 +54.8714641512284 0 1.41280228359414 0 3.01681337398758E-07 +73.036041639696 0 2.19116424010192 0 2.14612210777916E-06 +97.2130942768463 0 3.27580024024281 0 1.46095070561145E-05 +117.629190901045 0 4.18410138422259 0 5.03593058483052E-05 +142.332667816326 0 5.23586444585863 0 0.000166307405983728 +172.223874883816 0 6.41206366387229 0 0.000522078019980137 +189.446903717941 0 7.03711401498523 0 0.000905545255579638 +208.392235435479 0 7.68029079143387 0 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plot T21; T12 +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ kTA21 = 7.4E-05 + ; kTA12 = 1.4E-05 + ; kAI1 = 5.3E-05 + ; krAI1 = 2.4E-05 + ; kAI2 = 3.1E-05 + ; kTAI21 = 2.8E-05 + ; kTAI12 = 0.00014 + ; kAIrA1 = 2.8E-05 + ; cRNaseH = 15.0 + ; cRNAP = 125.0 + ; kRNAP = 0.0323 + ; kRNaseH = 0.0196 + ; S = 0.02 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init A1 250.0 | +init A2 500.0 | +init T12 120.0 | +init T21 250.0 | +init dI1 1000.0 | +A2rI2 ->{((S * 0.24) * (cRNaseH / 18.4))} A2 | +rA1dI1 ->{((S * 0.05) * (cRNaseH / 76.5))} dI1 | +T12A2 ->{(0.05 * (cRNAP / (68.5 + cRNAP)))} T12A2 + rA1 | +T21A1 ->{(0.08 * (cRNAP / (247.8 + cRNAP)))} T21A1 + rI2 | +T12 ->{(0.002 * (cRNAP / (2620.02 + cRNAP)))} T12 + rA1 | +T21 ->{(0.02 * (cRNAP / (2670.2 + cRNAP)))} T21 + rI2 | +T12 + A2 ->{kTA12} T12A2 | +T21 + A1 ->{kTA21} T21A1 | +T21 + A1dI1 <->{0.0}{kTAI21} T21A1 + dI1 | +dI1 + A1 ->{kAI1} A1dI1 | +rA1 + dI1 ->{krAI1} rA1dI1 | +A1dI1 + rA1 <->{kAIrA1}{0.0} rA1dI1 + A1 | +T12A2 + rI2 ->{kTAI12} A2rI2 + T12 | +rI2 + A2 ->{kAI2} A2rI2 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Kim et al., Mol Syst Biol 2011 - Oscillator_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Kim et al., Mol Syst Biol 2011 - Oscillator_simulation/deterministic.tsv new file mode 100644 index 0000000..34059ba --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Kim et al., Mol Syst Biol 2011 - Oscillator_simulation/deterministic.tsv @@ -0,0 +1,852 @@ +Time T21 T12 +0 250 120 +7.04270798055992 227.806788544311 114.266931710785 +14.1492940191102 218.275523156523 108.875574658391 +21.6054240208157 214.991292534422 103.689740279408 +29.4240301810567 215.246255446288 98.8016629433044 +36.9853138001996 217.25532691452 94.6100702752407 +44.9539973562087 220.186788321973 90.7317504720326 +53.1830374203423 223.461396230434 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->{30.0} sp_5 + sp_4 | +origami2 + sp_5 ->{0.0003} sp_6 | +sp_6 + fuel ->{0.0003} sp_7 | +sp_7 ->{30.0} sp_8 | +sp_8 + fuel ->{0.0003} sp_9 | +sp_9 ->{30.0} sp_10 | +sp_10 + probe ->{0.0003} reporter + sp_11 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Remote transmission lines_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Remote transmission lines_simulation/deterministic.tsv new file mode 100644 index 0000000..a8b34ee --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Remote transmission lines_simulation/deterministic.tsv @@ -0,0 +1,1004 @@ +Time input fuel probe reporter +0 1 4 1 0 +40.0143782474469 0.988138080723171 3.99971415403601 1 1.72993814801201E-15 +80.0273784478489 0.976554667026065 3.9988663799089 0.999999999999791 2.17335743200778E-13 +120.040378660556 0.965239679029331 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Threshold spatial (reporter) AND.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.crn new file mode 100644 index 0000000..ddcf04f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.crn @@ -0,0 +1,18 @@ +directive sample 0.0,40000.0 1000 +directive plot reporter +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init fuel 2.0 | +init input1 1.0 | +init origami 1.0 | +init probe 1.0 | +origami + input1 ->{0.0003} sp_0 | +sp_0 + fuel ->{0.0003} sp_1 | +sp_1 ->{300.0} sp_3 | +sp_1 ->{30.0} sp_2 | +sp_2 + probe ->{0.0003} reporter + sp_4 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND_simulation/deterministic.tsv 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->{0.0003} sp_4 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Threshold spatial AND_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Threshold spatial AND_simulation/deterministic.tsv new file mode 100644 index 0000000..4c03b13 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Threshold spatial AND_simulation/deterministic.tsv @@ -0,0 +1,1004 @@ +Time fuel input1 origami sp_0 sp_1 sp_3 sp_2 sp_4 +0 3 1 1 0 0 0 0 0 +10.0098555946082 2.99998653722653 0.997006034071601 0.997006034071601 0.00298050682216615 -1.29887091558695E-07 1.23536302984996E-05 1.23169579234081E-06 3.66723750914844E-09 +20.0122751491048 2.99994644262809 0.994032146552843 0.994032146552843 0.00591432521848031 4.77843254507275E-08 4.86185857778128E-05 4.83271535438375E-06 2.91432233975088E-08 +30.0146947036028 2.99988009362824 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lines.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Transmission lines.crn new file mode 100644 index 0000000..f2d41bc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Transmission lines.crn @@ -0,0 +1,19 @@ +directive sample 0.0,40000.0 1000 +directive plot input; fuel; probe; reporter +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init fuel 2.0 | +init input 1.0 | +init origami 1.0 | +init probe 1.0 | +origami + input ->{0.0003} sp_0 | +sp_0 + fuel ->{0.0003} sp_1 | +sp_1 ->{30.0} sp_2 | +sp_2 + fuel ->{0.0003} sp_3 | +sp_3 ->{30.0} sp_4 | +sp_4 + probe ->{0.0003} reporter + sp_5 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., DNA 2014 - Transmission lines_simulation/deterministic.tsv 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0.763115450116381 +38760 0.0791905116226897 0.270440438904804 0.236662115785489 0.763337884214512 +38800 0.0791153252425484 0.270183553476841 0.236440093832974 0.763559906167026 +38840 0.0790402816982202 0.269927155185915 0.23621848290028 0.76378151709972 +38880 0.0789653805866875 0.269671242654759 0.235997281865672 0.764002718134328 +38920 0.0788906215061868 0.269415814511508 0.235776489611455 0.764223510388546 +38960 0.0788160040561932 0.269160869389666 0.23555610502395 0.76444389497605 +39000 0.0787415278374052 0.268906405928076 0.235336126993477 0.764663873006524 +39040 0.0786671924517295 0.268652422770895 0.235116554414327 0.764883445585674 +39080 0.078592997502265 0.26839891856756 0.234897386184744 0.765102613815256 +39120 0.0785189425932879 0.268145891972761 0.234678621206903 0.765321378793097 +39160 0.0784450273302365 0.26789334164641 0.234460258386887 0.765539741613114 +39200 0.0783712513196953 0.267641266253612 0.234242296634664 0.765757703365336 +39240 0.0782976141693799 0.267389664464638 0.23402473486407 0.765975265135931 +39280 0.0782241154881218 0.267138534954891 0.23380757199278 0.76619242800722 +39320 0.0781507548858528 0.266887876404879 0.233590806942294 0.766409193057707 +39360 0.0780775319735894 0.266637687500187 0.233374438637907 0.766625561362094 +39400 0.0780044463634181 0.266387966931446 0.233158466008695 0.766841533991306 +39440 0.0779314976684794 0.2661387133943 0.232942887987488 0.767057112012513 +39480 0.0778586855029526 0.265889925589385 0.232727703510849 0.767272296489151 +39520 0.0777860094820407 0.265641602222292 0.232512911519055 0.767487088480945 +39560 0.0777134692219546 0.265393742003539 0.232298510956071 0.767701489043929 +39600 0.0776410643398981 0.265146343648544 0.232084500769531 0.767915499230469 +39640 0.0775687944540522 0.264899405877595 0.231870879910716 0.768129120089285 +39680 0.07749665918356 0.264652927415818 0.231657647334529 0.768342352665471 +39720 0.0774246581485111 0.264406906993149 0.231444801999479 0.768555198000522 +39760 0.0773527909699264 0.264161343344308 0.231232342867654 0.768767657132347 +39800 0.0772810572697429 0.263916235208762 0.2310202689047 0.7689797310953 +39840 0.0772094566707976 0.263671581330703 0.230808579079804 0.769191420920197 +39880 0.0771379887968131 0.263427380459012 0.230597272365663 0.769402727634337 +39920 0.0770666532723815 0.263183631347238 0.230386347738473 0.769613652261528 +39960 0.0769954497229492 0.262940332753558 0.230175804177896 0.769824195822104 +40000 0.0769243777748019 0.262697483440756 0.22996564066705 0.770034359332951 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Buffered oscillators.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Buffered oscillators.crn new file mode 100644 index 0000000..d4312af --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Buffered oscillators.crn @@ -0,0 +1,321 @@ +directive sample 0.0,250000.0 2000 +directive plot (Species+sp_159+sp_158); (Species_1+sp_78+sp_77); (Species_2+sp_30+sp_29) +directive reltolerance 1e-05 +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init BJ2x2_17 10.0 | +init BJ2x2_16 100.0 | +init BJ2x2_15 1000.0 | +init BJ2x2_14 1000.0 | +init BJ2x2_13 1000.0 | +init BJ2x2_12 100.0 | +init BJ2x2_11 10.0 | +init BJ2x2_10 100.0 | +init BJ2x2_9 1000.0 | +init BJ2x2_8 1000.0 | +init BJ2x2_7 1000.0 | +init BJ2x2_6 100.0 | +init BJ2x2_5 10.0 | +init BJ2x2_4 100.0 | +init BJ2x2_3 1000.0 | +init BJ2x2_2 1000.0 | +init BJ2x2_1 1000.0 | +init BJ2x2 100.0 | +init Species_2 2.0 | +init Species_1 4.0 | +init Species 2.0 | +BJ2x2_12 + BJ2x2_17 <->{0.0003}{0.1126} sp_0 | +BJ2x2_15 + sp_1 ->{0.0003} sp_4 + sp_3 | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 | +BJ2x2_6 + BJ2x2_11 <->{0.0003}{0.1126} sp_5 | +BJ2x2_9 + sp_6 ->{0.0003} sp_9 + sp_8 | +sp_5 <->{0.1126}{0.0003} sp_7 + sp_6 | +BJ2x2 + BJ2x2_5 <->{0.0003}{0.1126} sp_10 | +BJ2x2_3 + sp_11 ->{0.0003} sp_14 + sp_13 | +sp_10 <->{0.1126}{0.0003} sp_12 + sp_11 | +sp_2 + Species_2 <->{0.0003}{0.1126} sp_15 | +sp_15 <->{0.1126}{0.0003} sp_16 + BJ2x2_16 | +sp_16 + BJ2x2_11 <->{0.0003}{0.1126} sp_17 | +sp_17 <->{0.1126}{0.0003} sp_18 + Species_2 | +sp_18 + sp_1 <->{0.0003}{0.1126} sp_19 | +sp_19 <->{0.1126}{0.0003} sp_20 + BJ2x2_17 | +sp_7 + Species_1 <->{0.0003}{0.1126} sp_21 | +sp_21 <->{0.1126}{0.0003} sp_22 + BJ2x2_10 | +sp_22 + BJ2x2_5 <->{0.0003}{0.1126} sp_24 | +sp_24 <->{0.1126}{0.0003} sp_25 + Species_1 | +sp_25 + sp_6 <->{0.0003}{0.1126} sp_26 | +sp_26 <->{0.1126}{0.0003} sp_27 + BJ2x2_11 | +sp_22 + Species_2 <->{0.0003}{0.1126} sp_23 | +sp_23 <->{0.1126}{0.0003} sp_28 + BJ2x2_11 | +sp_28 + BJ2x2_7 ->{0.0003} sp_31 + sp_30 + sp_29 | +sp_28 + BJ2x2_16 <->{0.0003}{0.1126} sp_32 | +sp_32 <->{0.1126}{0.0003} sp_33 + Species_2 | +sp_33 + BJ2x2_10 <->{0.0003}{0.1126} sp_35 | +sp_35 <->{0.1126}{0.0003} sp_36 + Species_1 | +sp_36 + sp_6 <->{0.0003}{0.1126} sp_37 | +sp_37 <->{0.1126}{0.0003} sp_38 + BJ2x2_11 | +sp_33 + BJ2x2_5 <->{0.0003}{0.1126} sp_34 | +sp_34 <->{0.1126}{0.0003} sp_39 + Species_1 | +sp_39 + sp_6 <->{0.0003}{0.1126} sp_40 | +sp_40 <->{0.1126}{0.0003} sp_41 + BJ2x2_11 | +sp_43 + BJ2x2_10 ->{0.0003} sp_45 + sp_44 | +BJ2x2_8 + sp_42 ->{0.0003} sp_47 + sp_46 | +sp_31 <->{0.1126}{0.0003} sp_43 + sp_42 | +sp_2 + sp_30 <->{0.0003}{0.1126} sp_51 | +sp_51 <->{0.1126}{0.0003} sp_52 + BJ2x2_16 | +sp_18 + sp_30 <->{0.0003}{0.1126} sp_50 | +sp_52 + BJ2x2_11 <->{0.0003}{0.1126} sp_50 | +sp_22 + sp_30 <->{0.0003}{0.1126} sp_49 | +sp_49 <->{0.1126}{0.0003} sp_53 + BJ2x2_11 | +sp_53 + BJ2x2_7 ->{0.0003} sp_54 + sp_30 + sp_29 | +sp_33 + sp_30 <->{0.0003}{0.1126} sp_48 | +sp_53 + BJ2x2_16 <->{0.0003}{0.1126} sp_48 | +sp_55 + BJ2x2_10 ->{0.0003} sp_56 + sp_44 | +sp_54 <->{0.1126}{0.0003} sp_55 + sp_42 | +sp_2 + sp_29 <->{0.0003}{0.1126} sp_60 | +sp_60 <->{0.1126}{0.0003} sp_61 + BJ2x2_16 | +sp_18 + sp_29 <->{0.0003}{0.1126} sp_59 | +sp_61 + BJ2x2_11 <->{0.0003}{0.1126} sp_59 | +sp_22 + sp_29 <->{0.0003}{0.1126} sp_58 | +sp_58 <->{0.1126}{0.0003} sp_62 + BJ2x2_11 | +sp_62 + BJ2x2_7 ->{0.0003} sp_63 + sp_30 + sp_29 | +sp_33 + sp_29 <->{0.0003}{0.1126} sp_57 | +sp_62 + BJ2x2_16 <->{0.0003}{0.1126} sp_57 | +sp_64 + BJ2x2_10 ->{0.0003} sp_65 + sp_44 | +sp_63 <->{0.1126}{0.0003} sp_64 + sp_42 | +sp_12 + Species <->{0.0003}{0.1126} sp_69 | +sp_69 <->{0.1126}{0.0003} sp_70 + BJ2x2_4 | +sp_70 + BJ2x2_17 <->{0.0003}{0.1126} sp_72 | +sp_72 <->{0.1126}{0.0003} sp_73 + Species | +sp_73 + sp_11 <->{0.0003}{0.1126} sp_74 | +sp_74 <->{0.1126}{0.0003} sp_75 + BJ2x2_5 | +sp_70 + Species_1 <->{0.0003}{0.1126} sp_71 | +sp_71 <->{0.1126}{0.0003} sp_76 + BJ2x2_5 | +sp_76 + BJ2x2_1 ->{0.0003} sp_79 + sp_78 + sp_77 | +sp_76 + BJ2x2_10 <->{0.0003}{0.1126} sp_80 | +sp_80 <->{0.1126}{0.0003} sp_81 + Species_1 | +sp_81 + BJ2x2_17 <->{0.0003}{0.1126} sp_83 | +sp_83 <->{0.1126}{0.0003} sp_84 + Species | +sp_84 + sp_11 <->{0.0003}{0.1126} sp_85 | +sp_85 <->{0.1126}{0.0003} sp_86 + BJ2x2_5 | +sp_81 + BJ2x2_4 <->{0.0003}{0.1126} sp_82 | +sp_82 <->{0.1126}{0.0003} sp_87 + Species | +sp_87 + sp_11 <->{0.0003}{0.1126} sp_88 | +sp_88 <->{0.1126}{0.0003} sp_89 + BJ2x2_5 | +sp_91 + BJ2x2_4 ->{0.0003} sp_93 + sp_92 | +BJ2x2_2 + sp_90 ->{0.0003} sp_95 + sp_94 | +sp_79 <->{0.1126}{0.0003} sp_91 + sp_90 | +sp_7 + sp_78 <->{0.0003}{0.1126} sp_101 | +sp_101 <->{0.1126}{0.0003} sp_102 + BJ2x2_10 | +sp_25 + sp_78 <->{0.0003}{0.1126} sp_100 | +sp_102 + BJ2x2_5 <->{0.0003}{0.1126} sp_100 | +sp_102 + Species_2 <->{0.0003}{0.1126} sp_105 | +sp_105 <->{0.1126}{0.0003} sp_106 + BJ2x2_11 | +sp_106 + BJ2x2_7 ->{0.0003} sp_107 + sp_30 + sp_29 | +sp_106 + BJ2x2_16 <->{0.0003}{0.1126} sp_108 | +sp_108 <->{0.1126}{0.0003} sp_109 + Species_2 | +sp_36 + sp_78 <->{0.0003}{0.1126} sp_99 | +sp_109 + BJ2x2_10 <->{0.0003}{0.1126} sp_99 | +sp_39 + sp_78 <->{0.0003}{0.1126} sp_98 | +sp_109 + BJ2x2_5 <->{0.0003}{0.1126} sp_98 | +sp_109 + sp_30 <->{0.0003}{0.1126} sp_111 | +sp_111 <->{0.1126}{0.0003} sp_112 + BJ2x2_16 | +sp_112 + BJ2x2_7 ->{0.0003} sp_113 + sp_30 + sp_29 | +sp_102 + sp_30 <->{0.0003}{0.1126} sp_104 | +sp_112 + BJ2x2_11 <->{0.0003}{0.1126} sp_104 | +sp_114 + BJ2x2_10 ->{0.0003} sp_115 + sp_44 | +sp_113 <->{0.1126}{0.0003} sp_114 + sp_42 | +sp_109 + sp_29 <->{0.0003}{0.1126} sp_110 | +sp_110 <->{0.1126}{0.0003} sp_116 + BJ2x2_16 | +sp_116 + BJ2x2_7 ->{0.0003} sp_117 + sp_30 + sp_29 | +sp_102 + sp_29 <->{0.0003}{0.1126} sp_103 | +sp_116 + BJ2x2_11 <->{0.0003}{0.1126} sp_103 | +sp_118 + BJ2x2_10 ->{0.0003} sp_119 + sp_44 | +sp_117 <->{0.1126}{0.0003} sp_118 + sp_42 | +sp_120 + BJ2x2_10 ->{0.0003} sp_121 + sp_44 | +sp_107 <->{0.1126}{0.0003} sp_120 + sp_42 | +sp_70 + sp_78 <->{0.0003}{0.1126} sp_97 | +sp_97 <->{0.1126}{0.0003} sp_122 + BJ2x2_5 | +sp_122 + BJ2x2_1 ->{0.0003} sp_123 + sp_78 + sp_77 | +sp_81 + sp_78 <->{0.0003}{0.1126} sp_96 | +sp_122 + BJ2x2_10 <->{0.0003}{0.1126} sp_96 | +sp_124 + BJ2x2_4 ->{0.0003} sp_125 + sp_92 | +sp_123 <->{0.1126}{0.0003} sp_124 + sp_90 | +sp_7 + sp_77 <->{0.0003}{0.1126} sp_131 | +sp_131 <->{0.1126}{0.0003} sp_132 + BJ2x2_10 | +sp_25 + sp_77 <->{0.0003}{0.1126} sp_130 | +sp_132 + BJ2x2_5 <->{0.0003}{0.1126} sp_130 | +sp_132 + Species_2 <->{0.0003}{0.1126} sp_135 | +sp_135 <->{0.1126}{0.0003} sp_136 + BJ2x2_11 | +sp_136 + BJ2x2_7 ->{0.0003} sp_137 + sp_30 + sp_29 | +sp_136 + BJ2x2_16 <->{0.0003}{0.1126} sp_138 | +sp_138 <->{0.1126}{0.0003} sp_139 + Species_2 | +sp_36 + sp_77 <->{0.0003}{0.1126} sp_129 | +sp_139 + BJ2x2_10 <->{0.0003}{0.1126} sp_129 | +sp_39 + sp_77 <->{0.0003}{0.1126} sp_128 | +sp_139 + BJ2x2_5 <->{0.0003}{0.1126} sp_128 | +sp_139 + sp_30 <->{0.0003}{0.1126} sp_141 | +sp_141 <->{0.1126}{0.0003} sp_142 + BJ2x2_16 | +sp_142 + BJ2x2_7 ->{0.0003} sp_143 + sp_30 + sp_29 | +sp_132 + sp_30 <->{0.0003}{0.1126} sp_134 | +sp_142 + BJ2x2_11 <->{0.0003}{0.1126} sp_134 | +sp_144 + BJ2x2_10 ->{0.0003} sp_145 + sp_44 | +sp_143 <->{0.1126}{0.0003} sp_144 + sp_42 | +sp_139 + sp_29 <->{0.0003}{0.1126} sp_140 | +sp_140 <->{0.1126}{0.0003} sp_146 + BJ2x2_16 | +sp_146 + BJ2x2_7 ->{0.0003} sp_147 + sp_30 + sp_29 | +sp_132 + sp_29 <->{0.0003}{0.1126} sp_133 | +sp_146 + BJ2x2_11 <->{0.0003}{0.1126} sp_133 | +sp_148 + BJ2x2_10 ->{0.0003} sp_149 + sp_44 | +sp_147 <->{0.1126}{0.0003} sp_148 + sp_42 | +sp_150 + BJ2x2_10 ->{0.0003} sp_151 + sp_44 | +sp_137 <->{0.1126}{0.0003} sp_150 + sp_42 | +sp_70 + sp_77 <->{0.0003}{0.1126} sp_127 | +sp_127 <->{0.1126}{0.0003} sp_152 + BJ2x2_5 | +sp_152 + BJ2x2_1 ->{0.0003} sp_153 + sp_78 + sp_77 | +sp_81 + sp_77 <->{0.0003}{0.1126} sp_126 | +sp_152 + BJ2x2_10 <->{0.0003}{0.1126} sp_126 | +sp_154 + BJ2x2_4 ->{0.0003} sp_155 + sp_92 | +sp_153 <->{0.1126}{0.0003} sp_154 + sp_90 | +sp_16 + Species <->{0.0003}{0.1126} sp_68 | +sp_68 <->{0.1126}{0.0003} sp_156 + BJ2x2_17 | +sp_156 + BJ2x2_13 ->{0.0003} sp_160 + sp_159 + sp_158 | +sp_162 + BJ2x2_16 ->{0.0003} sp_164 + sp_163 | +BJ2x2_14 + sp_161 ->{0.0003} sp_166 + sp_165 | +sp_160 <->{0.1126}{0.0003} sp_162 + sp_161 | +sp_12 + sp_159 <->{0.0003}{0.1126} sp_173 | +sp_173 <->{0.1126}{0.0003} sp_174 + BJ2x2_4 | +sp_73 + sp_159 <->{0.0003}{0.1126} sp_169 | +sp_174 + BJ2x2_17 <->{0.0003}{0.1126} sp_169 | +sp_174 + Species_1 <->{0.0003}{0.1126} sp_177 | +sp_177 <->{0.1126}{0.0003} sp_178 + BJ2x2_5 | +sp_178 + BJ2x2_1 ->{0.0003} sp_179 + sp_78 + sp_77 | +sp_178 + BJ2x2_10 <->{0.0003}{0.1126} sp_180 | +sp_180 <->{0.1126}{0.0003} sp_181 + Species_1 | +sp_84 + sp_159 <->{0.0003}{0.1126} sp_168 | +sp_181 + BJ2x2_17 <->{0.0003}{0.1126} sp_168 | +sp_87 + sp_159 <->{0.0003}{0.1126} sp_167 | +sp_181 + BJ2x2_4 <->{0.0003}{0.1126} sp_167 | +sp_181 + sp_78 <->{0.0003}{0.1126} sp_183 | +sp_183 <->{0.1126}{0.0003} sp_184 + BJ2x2_10 | +sp_184 + BJ2x2_1 ->{0.0003} sp_185 + sp_78 + sp_77 | +sp_174 + sp_78 <->{0.0003}{0.1126} sp_176 | +sp_184 + BJ2x2_5 <->{0.0003}{0.1126} sp_176 | +sp_186 + BJ2x2_4 ->{0.0003} sp_187 + sp_92 | +sp_185 <->{0.1126}{0.0003} sp_186 + sp_90 | +sp_181 + sp_77 <->{0.0003}{0.1126} sp_182 | +sp_182 <->{0.1126}{0.0003} sp_188 + BJ2x2_10 | +sp_188 + BJ2x2_1 ->{0.0003} sp_189 + sp_78 + sp_77 | +sp_174 + sp_77 <->{0.0003}{0.1126} sp_175 | +sp_188 + BJ2x2_5 <->{0.0003}{0.1126} sp_175 | +sp_190 + BJ2x2_4 ->{0.0003} sp_191 + sp_92 | +sp_189 <->{0.1126}{0.0003} sp_190 + sp_90 | +sp_192 + BJ2x2_4 ->{0.0003} sp_193 + sp_92 | +sp_179 <->{0.1126}{0.0003} sp_192 + sp_90 | +sp_16 + sp_159 <->{0.0003}{0.1126} sp_172 | +sp_172 <->{0.1126}{0.0003} sp_194 + BJ2x2_17 | +sp_194 + BJ2x2_13 ->{0.0003} sp_196 + sp_159 + sp_158 | +sp_197 + BJ2x2_16 ->{0.0003} sp_198 + sp_163 | +sp_196 <->{0.1126}{0.0003} sp_197 + sp_161 | +sp_12 + sp_158 <->{0.0003}{0.1126} sp_205 | +sp_205 <->{0.1126}{0.0003} sp_206 + BJ2x2_4 | +sp_73 + sp_158 <->{0.0003}{0.1126} sp_201 | +sp_206 + BJ2x2_17 <->{0.0003}{0.1126} sp_201 | +sp_206 + Species_1 <->{0.0003}{0.1126} sp_209 | +sp_209 <->{0.1126}{0.0003} sp_210 + BJ2x2_5 | +sp_210 + BJ2x2_1 ->{0.0003} sp_211 + sp_78 + sp_77 | +sp_210 + BJ2x2_10 <->{0.0003}{0.1126} sp_212 | +sp_212 <->{0.1126}{0.0003} sp_213 + Species_1 | +sp_84 + sp_158 <->{0.0003}{0.1126} sp_200 | +sp_213 + BJ2x2_17 <->{0.0003}{0.1126} sp_200 | +sp_87 + sp_158 <->{0.0003}{0.1126} sp_199 | +sp_213 + BJ2x2_4 <->{0.0003}{0.1126} sp_199 | +sp_213 + sp_78 <->{0.0003}{0.1126} sp_215 | +sp_215 <->{0.1126}{0.0003} sp_216 + BJ2x2_10 | +sp_216 + BJ2x2_1 ->{0.0003} sp_217 + sp_78 + sp_77 | +sp_206 + sp_78 <->{0.0003}{0.1126} sp_208 | +sp_216 + BJ2x2_5 <->{0.0003}{0.1126} sp_208 | +sp_218 + BJ2x2_4 ->{0.0003} sp_219 + sp_92 | +sp_217 <->{0.1126}{0.0003} sp_218 + sp_90 | +sp_213 + sp_77 <->{0.0003}{0.1126} sp_214 | +sp_214 <->{0.1126}{0.0003} sp_220 + BJ2x2_10 | +sp_220 + BJ2x2_1 ->{0.0003} sp_221 + sp_78 + sp_77 | +sp_206 + sp_77 <->{0.0003}{0.1126} sp_207 | +sp_220 + BJ2x2_5 <->{0.0003}{0.1126} sp_207 | +sp_222 + BJ2x2_4 ->{0.0003} sp_223 + sp_92 | +sp_221 <->{0.1126}{0.0003} sp_222 + sp_90 | +sp_224 + BJ2x2_4 ->{0.0003} sp_225 + sp_92 | +sp_211 <->{0.1126}{0.0003} sp_224 + sp_90 | +sp_16 + sp_158 <->{0.0003}{0.1126} sp_204 | +sp_204 <->{0.1126}{0.0003} sp_226 + BJ2x2_17 | +sp_226 + BJ2x2_13 ->{0.0003} sp_228 + sp_159 + sp_158 | +sp_229 + BJ2x2_16 ->{0.0003} sp_230 + sp_163 | +sp_228 <->{0.1126}{0.0003} sp_229 + sp_161 | +sp_226 + BJ2x2_4 <->{0.0003}{0.1126} sp_227 | +sp_227 <->{0.1126}{0.0003} sp_231 + sp_158 | +sp_231 + BJ2x2_16 <->{0.0003}{0.1126} sp_233 | +sp_233 <->{0.1126}{0.0003} sp_234 + Species_2 | +sp_234 + sp_1 <->{0.0003}{0.1126} sp_237 | +sp_237 <->{0.1126}{0.0003} sp_238 + BJ2x2_17 | +sp_234 + sp_30 <->{0.0003}{0.1126} sp_236 | +sp_236 <->{0.1126}{0.0003} sp_239 + BJ2x2_16 | +sp_239 + BJ2x2_11 <->{0.0003}{0.1126} sp_243 | +sp_243 <->{0.1126}{0.0003} sp_244 + sp_30 | +sp_244 + sp_1 <->{0.0003}{0.1126} sp_246 | +sp_246 <->{0.1126}{0.0003} sp_247 + BJ2x2_17 | +sp_244 + Species_2 <->{0.0003}{0.1126} sp_232 | +sp_231 + BJ2x2_11 <->{0.0003}{0.1126} sp_232 | +sp_244 + sp_29 <->{0.0003}{0.1126} sp_245 | +sp_245 <->{0.1126}{0.0003} sp_248 + BJ2x2_11 | +sp_234 + sp_29 <->{0.0003}{0.1126} sp_235 | +sp_248 + BJ2x2_16 <->{0.0003}{0.1126} sp_235 | +sp_248 + Species <->{0.0003}{0.1126} sp_251 | +sp_252 + BJ2x2_13 ->{0.0003} sp_253 + sp_159 + sp_158 | +sp_251 <->{0.1126}{0.0003} sp_252 + BJ2x2_4 | +sp_61 + Species <->{0.0003}{0.1126} sp_66 | +sp_252 + BJ2x2_17 <->{0.0003}{0.1126} sp_66 | +sp_254 + BJ2x2_16 ->{0.0003} sp_255 + sp_163 | +sp_253 <->{0.1126}{0.0003} sp_254 + sp_161 | +sp_248 + sp_159 <->{0.0003}{0.1126} sp_250 | +sp_256 + BJ2x2_13 ->{0.0003} sp_257 + sp_159 + sp_158 | +sp_250 <->{0.1126}{0.0003} sp_256 + BJ2x2_4 | +sp_61 + sp_159 <->{0.0003}{0.1126} sp_170 | +sp_256 + BJ2x2_17 <->{0.0003}{0.1126} sp_170 | +sp_258 + BJ2x2_16 ->{0.0003} sp_259 + sp_163 | +sp_257 <->{0.1126}{0.0003} sp_258 + sp_161 | +sp_248 + sp_158 <->{0.0003}{0.1126} sp_249 | +sp_260 + BJ2x2_13 ->{0.0003} sp_261 + sp_159 + sp_158 | +sp_249 <->{0.1126}{0.0003} sp_260 + BJ2x2_4 | +sp_61 + sp_158 <->{0.0003}{0.1126} sp_202 | +sp_260 + BJ2x2_17 <->{0.0003}{0.1126} sp_202 | +sp_262 + BJ2x2_16 ->{0.0003} sp_263 + sp_163 | +sp_261 <->{0.1126}{0.0003} sp_262 + sp_161 | +sp_239 + Species <->{0.0003}{0.1126} sp_242 | +sp_264 + BJ2x2_13 ->{0.0003} sp_265 + sp_159 + sp_158 | +sp_242 <->{0.1126}{0.0003} sp_264 + BJ2x2_4 | +sp_52 + Species <->{0.0003}{0.1126} sp_67 | +sp_264 + BJ2x2_17 <->{0.0003}{0.1126} sp_67 | +sp_266 + BJ2x2_16 ->{0.0003} sp_267 + sp_163 | +sp_265 <->{0.1126}{0.0003} sp_266 + sp_161 | +sp_239 + sp_159 <->{0.0003}{0.1126} sp_241 | +sp_268 + BJ2x2_13 ->{0.0003} sp_269 + sp_159 + sp_158 | +sp_241 <->{0.1126}{0.0003} sp_268 + BJ2x2_4 | +sp_52 + sp_159 <->{0.0003}{0.1126} sp_171 | +sp_268 + BJ2x2_17 <->{0.0003}{0.1126} sp_171 | +sp_270 + BJ2x2_16 ->{0.0003} sp_271 + sp_163 | +sp_269 <->{0.1126}{0.0003} sp_270 + sp_161 | +sp_239 + sp_158 <->{0.0003}{0.1126} sp_240 | +sp_272 + BJ2x2_13 ->{0.0003} sp_273 + sp_159 + sp_158 | +sp_240 <->{0.1126}{0.0003} sp_272 + BJ2x2_4 | +sp_52 + sp_158 <->{0.0003}{0.1126} sp_203 | +sp_272 + BJ2x2_17 <->{0.0003}{0.1126} sp_203 | +sp_274 + BJ2x2_16 ->{0.0003} sp_275 + sp_163 | +sp_273 <->{0.1126}{0.0003} sp_274 + sp_161 | +sp_231 + Species <->{0.0003}{0.1126} sp_157 | +sp_156 + BJ2x2_4 <->{0.0003}{0.1126} sp_157 | +sp_231 + sp_159 <->{0.0003}{0.1126} sp_195 | +sp_194 + BJ2x2_4 <->{0.0003}{0.1126} sp_195 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Buffered oscillators_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Buffered oscillators_simulation/deterministic.tsv new file mode 100644 index 0000000..3857e3a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Buffered oscillators_simulation/deterministic.tsv @@ -0,0 +1,1972 @@ +Time (Species + (sp_159 + sp_158)) (Species_1 + (sp_78 + sp_77)) (Species_2 + (sp_30 + sp_29)) +0 2 4 2 +124.818667199885 1.88008207496508 3.76384503069154 1.88124489596544 +251.008001451978 1.80520038039229 3.62292147880609 1.81226955067589 +377.249302475463 1.78107024705859 3.58425665397448 1.79655094937271 +505.182967368546 1.77169573919083 3.5751477977607 1.79651401020981 +631.255062456313 1.76599771372487 3.57312938221106 1.80023928676416 +757.371947141062 1.76108607593334 3.5725797381681 1.80481077477186 +883.522965328012 1.75636053290503 3.57230268548072 1.80958510126743 +1009.73763410271 1.75169158262268 3.57204231151171 1.81442448127656 +1135.97875473722 1.74705384828193 3.57174513219846 1.81929816138929 +1262.23021805599 1.74244272243242 3.57140050655633 1.8241995947209 +1388.48599076255 1.73785730270464 3.57100608562138 1.82912717564212 +1514.74310225467 1.73329741636782 3.57056122249356 1.83408037079026 +1641.00122117452 1.72876302227703 3.5700656986445 1.8390589951122 +1767.26025080139 1.72425438513924 3.56951985110306 1.84406313249428 +1893.52025853971 1.71977149837032 3.56892358243293 1.8490926600407 +2019.78110586777 1.71531431816628 3.56827671224175 1.85414741654401 +2146.04287489962 1.71088283642348 3.56757913077816 1.8592272864565 +2272.30559810566 1.70647730144675 3.56683121060849 1.86433233682227 +2398.56929278852 1.70209771199389 3.5660328747853 1.86946244598582 +2524.83395458395 1.69774402499832 3.56518395932294 1.87461746433198 +2651.0995860461 1.69341623646937 3.56428437101708 1.87979727319212 +2777.36618687462 1.68911457672908 3.56333449853095 1.88500190934509 +2903.63375793668 1.68483904598048 3.5623342805274 1.89023125026417 +3029.90229518155 1.68058960497363 3.56128356828528 1.89548515010293 +3156.17179666588 1.67636625028333 3.56018228367895 1.90076348875163 +3282.44226047526 1.67216919486514 3.55903083031384 1.90606627699975 +3408.71368701369 1.66799843911521 3.55782916147696 1.91139339092403 +3534.98607218322 1.66385394659249 3.55657714286685 1.91674468667807 +3661.25941420041 1.65973571370309 3.5552747106061 1.92212004187978 +3787.53371133005 1.65564393756405 3.55392228246146 1.92751944400104 +3913.80896414495 1.65157861822434 3.55251982563007 1.93294276673817 +4040.08516871609 1.64753972123768 3.55106721956301 1.93838986674066 +4166.36232342216 1.64352724241443 3.54956441400271 1.94386061846372 +4292.64042667246 1.63954136447476 3.54801184027365 1.94935498826332 +4418.91947915608 1.6355820867372 3.54640947892607 1.95487284657256 +4545.19947707926 1.63164937611275 3.54475722263981 1.96041404922321 +4671.48041893027 1.62774322750481 3.54305503428083 1.96597846672523 +4797.76230321924 1.62386381054427 3.54130335825166 1.97156604618639 +4924.04513071397 1.62001112354152 3.53950218801174 1.97717665400535 +5050.32889771909 1.61618513426416 3.53765142905046 1.98281014405471 +5176.61360280077 1.61238583648783 3.53575105695796 1.98846638221329 +5302.89924453991 1.60861338794094 3.53380152882614 1.99414529792781 +5429.18582375572 1.60486778573275 3.5318028506625 1.99984675288805 +5555.47333682613 1.60114899809762 3.52975494042297 2.00557059801522 +5681.7617823712 1.59745701753563 3.52765778609294 2.0113166939557 +5808.05115902161 1.59379199095149 3.52551185713102 2.01708495384557 +5934.34146762843 1.59015391412816 3.52331717179129 2.02287523407593 +6060.63270462429 1.58654275546795 3.5210736602077 2.0286873817542 +6186.92486866693 1.58295850610596 3.51878132248203 2.03452125176769 +6313.21795842131 1.57940130310556 3.51644064016393 2.04037674209275 +6439.51197475721 1.57587114085266 3.51405164349433 2.04625370330686 +6565.80691414871 1.57236798769331 3.51161427453459 2.05215197795472 +6692.10277527944 1.56889183335539 3.50912854525869 2.05807141470468 +6818.3995568384 1.56544280595684 3.50659494906377 2.06401189735625 +6944.69725970445 1.56202089845958 3.50401352794612 2.06997327022503 +7070.99588038421 1.55862607899062 3.50138423566913 2.07595537064413 +7197.29541757963 1.55525833586617 3.49870709585741 2.08195804066326 +7323.59586999625 1.55191778907739 3.49598261353296 2.08798115074669 +7449.89723851581 1.54860443017037 3.49321084223371 2.09402453855994 +7576.19951967157 1.54531822694094 3.49039174721517 2.10008803566455 +7702.50271217817 1.5420591663196 3.48752536354444 2.10617147714649 +7828.80681475332 1.53882736092005 3.48461220765806 2.11227472085817 +7955.11182827782 1.53562280090887 3.4816523444316 2.11839759748141 +8081.41774930731 1.53244545368027 3.47864575041067 2.12453993232562 +8207.72457656626 1.52929530482943 3.47559247190324 2.13070155321822 +8334.03230878156 1.52617246027956 3.47249303655551 2.13688230602433 +8460.34094683064 1.52307690887656 3.4693475203803 2.14308201415863 +8586.6504872895 1.52000861757701 3.4661559110134 2.14930049626947 +8712.96092889063 1.51696757071049 3.46291826580304 2.15553757267745 +8839.27227036826 1.51395386814074 3.4596351234006 2.16179307780306 +8965.58451259517 1.51096749746957 3.45630657075449 2.16806682755673 +9091.89765216688 1.50800842520819 3.45293260638844 2.17435863358206 +9218.21168782273 1.50507663450574 3.44951329848714 2.18066830848792 +9344.5266183041 1.50217221974686 3.44604919649895 2.18699567572546 +9470.84244447862 1.4992951673798 3.44254039810126 2.19334054350721 +9597.1591629605 1.496445443486 3.43898691249778 2.19970271618774 +9723.4767724962 1.49362303013117 3.43538881849927 2.20608199850048 +9849.79527183402 1.4908280167555 3.43174667613619 2.21247820334742 +9976.11466183656 1.48806038875501 3.42806059360046 2.21889113109036 +10102.4349391371 1.48532011181586 3.4243305905592 2.22532057856575 +10228.7561024896 1.48260716702655 3.42055675622998 2.23176634250666 +10355.0781506495 1.47992163937592 3.41673966100113 2.23822822564185 +10481.401084475 1.47726351331716 3.41287942335463 2.24470602036849 +10607.7249006192 1.47463275419106 3.40897607319388 2.2511995158268 +10734.0495978434 1.47202934222187 3.40502970991293 2.25770850066185 +10860.3751749112 1.4694533584024 3.40104091402273 2.26423276777006 +10986.7016326775 1.4669047863582 3.39700981405896 2.27077210150719 +11113.0289678152 1.464383591147 3.39293644992199 2.27732628318697 +11239.3571790945 1.46188975224655 3.38882093093951 2.28389509331462 +11365.6862652878 1.45942334707429 3.38466384749715 2.29047831526814 +11492.016227247 1.4569843585474 3.38046533793489 2.29707572532069 +11618.3470616663 1.45457275151248 3.37622545189718 2.30368709687433 +11744.6787673251 1.45218850482176 3.37194430838884 2.31031220227707 +11871.0113430056 1.44983169270612 3.36762250740858 2.31695081568237 +11997.3447895581 1.44750229749601 3.36326019683698 2.32360270527414 +12123.6791036983 1.44520028390647 3.35885743579537 2.33026763650007 +12250.0142842162 1.44292563028675 3.35441435269449 2.33694537356721 +12376.3503299046 1.44067840804078 3.34993155686994 2.34363568168423 +12502.6872416127 1.43845859903492 3.34540920546432 2.3503383209725 +12629.025016079 1.43626616793779 3.34084736679339 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reltolerance 1e-5 +directive scale 100.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init BJ2x2_5 1.0 | +init BJ2x2_4 10.0 | +init BJ2x2_3 1000.0 | +init BJ2x2_2 1000.0 | +init BJ2x2_1 1000.0 | +init BJ2x2 1000.0 | +init Species_1 1.0 | +init Species 1.0 | +BJ2x2 + BJ2x2_5 <->{0.0003}{0.1126} sp_0 | +BJ2x2_3 + sp_1 ->{0.0003} sp_4 + sp_3 | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 | +sp_2 + Species <->{0.0003}{0.1126} sp_5 | +sp_5 <->{0.1126}{0.0003} sp_6 + BJ2x2_4 | +sp_6 + Species_1 <->{0.0003}{0.1126} sp_7 | +sp_7 <->{0.1126}{0.0003} sp_8 + BJ2x2_5 | +sp_8 + BJ2x2_1 ->{0.0003} sp_11 + sp_10 + sp_9 | +sp_13 + BJ2x2_4 ->{0.0003} sp_15 + sp_14 | +BJ2x2_2 + sp_12 ->{0.0003} sp_17 + sp_16 | +sp_11 <->{0.1126}{0.0003} sp_13 + sp_12 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Join gates_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Join gates_simulation/deterministic.tsv new file mode 100644 index 0000000..661722a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Join gates_simulation/deterministic.tsv @@ -0,0 +1,438 @@ +Time Species Species_1 sp_10 sp_9 BJ2x2_5 +0 1 1 0 0 1 +0.940198641449631 0.999998788010837 0.999999999998166 1.29036828348201E-15 1.29036828348201E-15 0.765812887276819 +2.00431259861109 0.999989982498289 0.99999999993036 2.17788908656974E-13 2.17788908656974E-13 0.587744535159255 +3.01692953277648 0.999970422629903 0.999999999530458 3.26211418059941E-12 3.26211418059941E-12 0.473524346639044 +4.0134044683113 0.999939192468951 0.999999998282807 2.06945957203067E-11 2.06945957203067E-11 0.394809203104632 +5.12674691264217 0.999890285807514 0.999999994929172 9.74079825906427E-11 9.74079825906427E-11 0.332268281340478 +6.22799741577757 0.999828293528829 0.999999988285061 3.24119112363433E-10 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0.00611248060376577 6.42877523358053E-05 +1000 0.926781738519814 0.993759802511393 0.00612213839535299 0.00612213839535299 6.43094908292476E-05 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Unbuffered oscillators.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Unbuffered oscillators.crn new file mode 100644 index 0000000..3663b12 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Unbuffered oscillators.crn @@ -0,0 +1,229 @@ +directive sample 0.0,5000000.0 5000 +directive plot (Species + sp_97 + sp_96); (Species_1 + sp_39 + sp_38); (Species_2 + sp_8 + sp_7) +directive scale 100.0 +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init J2x2_NoGC_8 1000.0 | +init J2x2_NoGC_7 1000.0 | +init J2x2_NoGC_6 100.0 | +init J2x2_NoGC_5 1000.0 | +init J2x2_NoGC_4 1000.0 | +init J2x2_NoGC_3 100.0 | +init J2x2_NoGC_2 1000.0 | +init J2x2_NoGC_1 1000.0 | +init J2x2_NoGC 100.0 | +init Species_2 2.0 | +init Species_1 4.0 | +init Species 2.0 | +J2x2_NoGC_6 + Species_2 <->{0.0003}{0.1126} sp_0 | +sp_0 <->{0.1126}{0.0003} sp_1 + J2x2_NoGC_8 | +J2x2_NoGC_3 + Species_1 <->{0.0003}{0.1126} sp_2 | +sp_2 <->{0.1126}{0.0003} sp_3 + J2x2_NoGC_5 | +sp_3 + Species_2 <->{0.0003}{0.1126} sp_4 | +sp_6 + J2x2_NoGC_4 ->{0.0003} sp_9 + sp_8 + sp_7 | +sp_6 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_10 | +sp_10 <->{0.1126}{0.0003} sp_11 + Species_2 | +sp_11 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_12 | +sp_12 <->{0.1126}{0.0003} sp_13 + Species_1 | +J2x2_NoGC_6 + sp_8 <->{0.0003}{0.1126} sp_16 | +sp_16 <->{0.1126}{0.0003} sp_17 + J2x2_NoGC_8 | +sp_3 + sp_8 <->{0.0003}{0.1126} sp_15 | +sp_18 + J2x2_NoGC_4 ->{0.0003} sp_19 + sp_8 + sp_7 | +sp_11 + sp_8 <->{0.0003}{0.1126} sp_14 | +sp_18 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_14 | +J2x2_NoGC_6 + sp_7 <->{0.0003}{0.1126} sp_22 | +sp_22 <->{0.1126}{0.0003} sp_23 + J2x2_NoGC_8 | +sp_3 + sp_7 <->{0.0003}{0.1126} sp_21 | +sp_24 + J2x2_NoGC_4 ->{0.0003} sp_25 + sp_8 + sp_7 | +sp_11 + sp_7 <->{0.0003}{0.1126} sp_20 | +sp_24 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_20 | +sp_4 <->{0.1126}{0.0003} sp_6 + sp_5 | +sp_15 <->{0.1126}{0.0003} sp_18 + sp_5 | +sp_21 <->{0.1126}{0.0003} sp_24 + sp_5 | +sp_1 + sp_5 <->{0.0003}{0.1126} sp_28 | +sp_28 <->{0.1126}{0.0003} sp_29 + Species_2 | +sp_29 + sp_8 <->{0.0003}{0.1126} sp_27 | +sp_17 + sp_5 <->{0.0003}{0.1126} sp_27 | +sp_29 + sp_7 <->{0.0003}{0.1126} sp_26 | +sp_23 + sp_5 <->{0.0003}{0.1126} sp_26 | +J2x2_NoGC + Species <->{0.0003}{0.1126} sp_33 | +sp_33 <->{0.1126}{0.0003} sp_34 + J2x2_NoGC_2 | +sp_34 + Species_1 <->{0.0003}{0.1126} sp_35 | +sp_37 + J2x2_NoGC_1 ->{0.0003} sp_40 + sp_39 + sp_38 | +sp_37 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_41 | +sp_41 <->{0.1126}{0.0003} sp_42 + Species_1 | +sp_42 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_43 | +sp_43 <->{0.1126}{0.0003} sp_44 + Species | +J2x2_NoGC_3 + sp_39 <->{0.0003}{0.1126} sp_48 | +sp_48 <->{0.1126}{0.0003} sp_49 + J2x2_NoGC_5 | +sp_49 + Species_2 <->{0.0003}{0.1126} sp_52 | +sp_53 + J2x2_NoGC_4 ->{0.0003} sp_54 + sp_8 + sp_7 | +sp_52 <->{0.1126}{0.0003} sp_53 + sp_5 | +sp_53 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_55 | +sp_55 <->{0.1126}{0.0003} sp_56 + Species_2 | +sp_13 + sp_39 <->{0.0003}{0.1126} sp_47 | +sp_56 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_47 | +sp_56 + sp_8 <->{0.0003}{0.1126} sp_58 | +sp_58 <->{0.1126}{0.0003} sp_59 + J2x2_NoGC_8 | +sp_59 + J2x2_NoGC_4 ->{0.0003} sp_60 + sp_8 + sp_7 | +sp_49 + sp_8 <->{0.0003}{0.1126} sp_51 | +sp_59 + sp_5 <->{0.0003}{0.1126} sp_51 | +sp_56 + sp_7 <->{0.0003}{0.1126} sp_57 | +sp_57 <->{0.1126}{0.0003} sp_61 + J2x2_NoGC_8 | +sp_61 + J2x2_NoGC_4 ->{0.0003} sp_62 + sp_8 + sp_7 | +sp_49 + sp_7 <->{0.0003}{0.1126} sp_50 | +sp_61 + sp_5 <->{0.0003}{0.1126} sp_50 | +sp_34 + sp_39 <->{0.0003}{0.1126} sp_46 | +sp_63 + J2x2_NoGC_1 ->{0.0003} sp_64 + sp_39 + sp_38 | +sp_42 + sp_39 <->{0.0003}{0.1126} sp_45 | +sp_63 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_45 | +J2x2_NoGC_3 + sp_38 <->{0.0003}{0.1126} sp_68 | +sp_68 <->{0.1126}{0.0003} sp_69 + J2x2_NoGC_5 | +sp_69 + Species_2 <->{0.0003}{0.1126} sp_72 | +sp_73 + J2x2_NoGC_4 ->{0.0003} sp_74 + sp_8 + sp_7 | +sp_72 <->{0.1126}{0.0003} sp_73 + sp_5 | +sp_73 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_75 | +sp_75 <->{0.1126}{0.0003} sp_76 + Species_2 | +sp_13 + sp_38 <->{0.0003}{0.1126} sp_67 | +sp_76 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_67 | +sp_76 + sp_8 <->{0.0003}{0.1126} sp_78 | +sp_78 <->{0.1126}{0.0003} sp_79 + J2x2_NoGC_8 | +sp_79 + J2x2_NoGC_4 ->{0.0003} sp_80 + sp_8 + sp_7 | +sp_69 + sp_8 <->{0.0003}{0.1126} sp_71 | +sp_79 + sp_5 <->{0.0003}{0.1126} sp_71 | +sp_76 + sp_7 <->{0.0003}{0.1126} sp_77 | +sp_77 <->{0.1126}{0.0003} sp_81 + J2x2_NoGC_8 | +sp_81 + J2x2_NoGC_4 ->{0.0003} sp_82 + sp_8 + sp_7 | +sp_69 + sp_7 <->{0.0003}{0.1126} sp_70 | +sp_81 + sp_5 <->{0.0003}{0.1126} sp_70 | +sp_34 + sp_38 <->{0.0003}{0.1126} sp_66 | +sp_83 + J2x2_NoGC_1 ->{0.0003} sp_84 + sp_39 + sp_38 | +sp_42 + sp_38 <->{0.0003}{0.1126} sp_65 | +sp_83 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_65 | +sp_35 <->{0.1126}{0.0003} sp_37 + sp_36 | +sp_46 <->{0.1126}{0.0003} sp_63 + sp_36 | +sp_66 <->{0.1126}{0.0003} sp_83 + sp_36 | +sp_3 + sp_36 <->{0.0003}{0.1126} sp_90 | +sp_90 <->{0.1126}{0.0003} sp_91 + Species_1 | +sp_91 + sp_39 <->{0.0003}{0.1126} sp_88 | +sp_49 + sp_36 <->{0.0003}{0.1126} sp_88 | +sp_91 + sp_38 <->{0.0003}{0.1126} sp_86 | +sp_69 + sp_36 <->{0.0003}{0.1126} sp_86 | +sp_11 + sp_36 <->{0.0003}{0.1126} sp_89 | +sp_89 <->{0.1126}{0.0003} sp_92 + Species_1 | +sp_92 + sp_39 <->{0.0003}{0.1126} sp_87 | +sp_56 + sp_36 <->{0.0003}{0.1126} sp_87 | +sp_92 + sp_38 <->{0.0003}{0.1126} sp_85 | +sp_76 + sp_36 <->{0.0003}{0.1126} sp_85 | +sp_1 + Species <->{0.0003}{0.1126} sp_32 | +sp_94 + J2x2_NoGC_7 ->{0.0003} sp_98 + sp_97 + sp_96 | +J2x2_NoGC + sp_97 <->{0.0003}{0.1126} sp_103 | +sp_103 <->{0.1126}{0.0003} sp_104 + J2x2_NoGC_2 | +sp_104 + Species_1 <->{0.0003}{0.1126} sp_107 | +sp_108 + J2x2_NoGC_1 ->{0.0003} sp_109 + sp_39 + sp_38 | +sp_107 <->{0.1126}{0.0003} sp_108 + sp_36 | +sp_108 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_110 | +sp_110 <->{0.1126}{0.0003} sp_111 + Species_1 | +sp_44 + sp_97 <->{0.0003}{0.1126} sp_99 | +sp_111 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_99 | +sp_111 + sp_39 <->{0.0003}{0.1126} sp_113 | +sp_113 <->{0.1126}{0.0003} sp_114 + J2x2_NoGC_5 | +sp_114 + J2x2_NoGC_1 ->{0.0003} sp_115 + sp_39 + sp_38 | +sp_104 + sp_39 <->{0.0003}{0.1126} sp_106 | +sp_114 + sp_36 <->{0.0003}{0.1126} sp_106 | +sp_111 + sp_38 <->{0.0003}{0.1126} sp_112 | +sp_112 <->{0.1126}{0.0003} sp_116 + J2x2_NoGC_5 | +sp_116 + J2x2_NoGC_1 ->{0.0003} sp_117 + sp_39 + sp_38 | +sp_104 + sp_38 <->{0.0003}{0.1126} sp_105 | +sp_116 + sp_36 <->{0.0003}{0.1126} sp_105 | +sp_1 + sp_97 <->{0.0003}{0.1126} sp_102 | +sp_118 + J2x2_NoGC_7 ->{0.0003} sp_120 + sp_97 + sp_96 | +J2x2_NoGC + sp_96 <->{0.0003}{0.1126} sp_125 | +sp_125 <->{0.1126}{0.0003} sp_126 + J2x2_NoGC_2 | +sp_126 + Species_1 <->{0.0003}{0.1126} sp_129 | +sp_130 + J2x2_NoGC_1 ->{0.0003} sp_131 + sp_39 + sp_38 | +sp_129 <->{0.1126}{0.0003} sp_130 + sp_36 | +sp_130 + J2x2_NoGC_5 <->{0.0003}{0.1126} sp_132 | +sp_132 <->{0.1126}{0.0003} sp_133 + Species_1 | +sp_44 + sp_96 <->{0.0003}{0.1126} sp_121 | +sp_133 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_121 | +sp_133 + sp_39 <->{0.0003}{0.1126} sp_135 | +sp_135 <->{0.1126}{0.0003} sp_136 + J2x2_NoGC_5 | +sp_136 + J2x2_NoGC_1 ->{0.0003} sp_137 + sp_39 + sp_38 | +sp_126 + sp_39 <->{0.0003}{0.1126} sp_128 | +sp_136 + sp_36 <->{0.0003}{0.1126} sp_128 | +sp_133 + sp_38 <->{0.0003}{0.1126} sp_134 | +sp_134 <->{0.1126}{0.0003} sp_138 + J2x2_NoGC_5 | +sp_138 + J2x2_NoGC_1 ->{0.0003} sp_139 + sp_39 + sp_38 | +sp_126 + sp_38 <->{0.0003}{0.1126} sp_127 | +sp_138 + sp_36 <->{0.0003}{0.1126} sp_127 | +sp_1 + sp_96 <->{0.0003}{0.1126} sp_124 | +sp_140 + J2x2_NoGC_7 ->{0.0003} sp_142 + sp_97 + sp_96 | +sp_140 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_141 | +sp_141 <->{0.1126}{0.0003} sp_143 + sp_96 | +sp_143 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_145 | +sp_145 <->{0.1126}{0.0003} sp_146 + Species_2 | +sp_146 + sp_8 <->{0.0003}{0.1126} sp_148 | +sp_148 <->{0.1126}{0.0003} sp_149 + J2x2_NoGC_8 | +sp_149 + sp_5 <->{0.0003}{0.1126} sp_153 | +sp_153 <->{0.1126}{0.0003} sp_154 + sp_8 | +sp_154 + Species_2 <->{0.0003}{0.1126} sp_144 | +sp_143 + sp_5 <->{0.0003}{0.1126} sp_144 | +sp_154 + sp_7 <->{0.0003}{0.1126} sp_155 | +sp_155 <->{0.1126}{0.0003} sp_156 + sp_5 | +sp_146 + sp_7 <->{0.0003}{0.1126} sp_147 | +sp_156 + J2x2_NoGC_8 <->{0.0003}{0.1126} sp_147 | +sp_156 + Species <->{0.0003}{0.1126} sp_159 | +sp_160 + J2x2_NoGC_7 ->{0.0003} sp_161 + sp_97 + sp_96 | +sp_159 <->{0.1126}{0.0003} sp_160 + J2x2_NoGC_2 | +sp_156 + sp_97 <->{0.0003}{0.1126} sp_158 | +sp_162 + J2x2_NoGC_7 ->{0.0003} sp_163 + sp_97 + sp_96 | +sp_158 <->{0.1126}{0.0003} sp_162 + J2x2_NoGC_2 | +sp_156 + sp_96 <->{0.0003}{0.1126} sp_157 | +sp_164 + J2x2_NoGC_7 ->{0.0003} sp_165 + sp_97 + sp_96 | +sp_157 <->{0.1126}{0.0003} sp_164 + J2x2_NoGC_2 | +sp_149 + Species <->{0.0003}{0.1126} sp_152 | +sp_166 + J2x2_NoGC_7 ->{0.0003} sp_167 + sp_97 + sp_96 | +sp_152 <->{0.1126}{0.0003} sp_166 + J2x2_NoGC_2 | +sp_149 + sp_97 <->{0.0003}{0.1126} sp_151 | +sp_168 + J2x2_NoGC_7 ->{0.0003} sp_169 + sp_97 + sp_96 | +sp_151 <->{0.1126}{0.0003} sp_168 + J2x2_NoGC_2 | +sp_149 + sp_96 <->{0.0003}{0.1126} sp_150 | +sp_170 + J2x2_NoGC_7 ->{0.0003} sp_171 + sp_97 + sp_96 | +sp_150 <->{0.1126}{0.0003} sp_170 + J2x2_NoGC_2 | +sp_143 + Species <->{0.0003}{0.1126} sp_95 | +sp_94 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_95 | +sp_143 + sp_97 <->{0.0003}{0.1126} sp_119 | +sp_118 + J2x2_NoGC_2 <->{0.0003}{0.1126} sp_119 | +sp_32 <->{0.1126}{0.0003} sp_94 + sp_93 | +sp_102 <->{0.1126}{0.0003} sp_118 + sp_93 | +sp_124 <->{0.1126}{0.0003} sp_140 + sp_93 | +sp_34 + sp_93 <->{0.0003}{0.1126} sp_177 | +sp_177 <->{0.1126}{0.0003} sp_178 + Species | +sp_178 + sp_97 <->{0.0003}{0.1126} sp_175 | +sp_104 + sp_93 <->{0.0003}{0.1126} sp_175 | +sp_178 + sp_96 <->{0.0003}{0.1126} sp_173 | +sp_126 + sp_93 <->{0.0003}{0.1126} sp_173 | +sp_42 + sp_93 <->{0.0003}{0.1126} sp_176 | +sp_176 <->{0.1126}{0.0003} sp_179 + Species | +sp_179 + sp_97 <->{0.0003}{0.1126} sp_174 | +sp_111 + sp_93 <->{0.0003}{0.1126} sp_174 | +sp_179 + sp_96 <->{0.0003}{0.1126} sp_172 | +sp_133 + sp_93 <->{0.0003}{0.1126} sp_172 | +sp_23 + Species <->{0.0003}{0.1126} sp_30 | +sp_160 + sp_93 <->{0.0003}{0.1126} sp_30 | +sp_23 + sp_97 <->{0.0003}{0.1126} sp_100 | +sp_162 + sp_93 <->{0.0003}{0.1126} sp_100 | +sp_23 + sp_96 <->{0.0003}{0.1126} sp_122 | +sp_164 + sp_93 <->{0.0003}{0.1126} sp_122 | +sp_17 + Species <->{0.0003}{0.1126} sp_31 | +sp_166 + sp_93 <->{0.0003}{0.1126} sp_31 | +sp_17 + sp_97 <->{0.0003}{0.1126} sp_101 | +sp_168 + sp_93 <->{0.0003}{0.1126} sp_101 | +sp_17 + sp_96 <->{0.0003}{0.1126} sp_123 | +sp_170 + sp_93 <->{0.0003}{0.1126} sp_123 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Unbuffered oscillators_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Unbuffered oscillators_simulation/deterministic.tsv new file mode 100644 index 0000000..c9f0401 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin et al., Interface 2012 - Unbuffered oscillators_simulation/deterministic.tsv @@ -0,0 +1,5001 @@ +Time (Species + (sp_97 + sp_96)) (Species_1 + (sp_39 + sp_38)) (Species_2 + (sp_8 + sp_7)) +0 2 4 2 +999.701762055958 1.45017510890461 2.93511752042361 1.4805676446172 +1999.76322620823 1.43516379204616 2.93464803553209 1.49666285070365 +2999.80179958968 1.42049022780922 2.9335208455103 1.51307690669534 +3999.81715105404 1.40615693320078 2.93173797026791 1.52980529206391 +5001.4323375357 1.39214373119171 2.92929756333373 1.54687109028472 +6003.02367230177 1.37847611732008 2.92620493909749 1.56424212570993 +7004.59090809887 1.36515593431402 2.92246428793035 1.581913018117 +8006.1338139488 1.3521846724274 2.918079869009 1.59987784224968 +9007.65217388906 1.33956360698594 2.91305640494418 1.61813033694566 +10009.145784571 1.32729383139231 2.90739925198981 1.63666392609982 +11010.6144541845 1.3153762810523 2.90111486881732 1.65547172318948 +12012.0580011086 1.30381165711091 2.89420974764597 1.67454639907817 +13013.4762538209 1.29260049581459 2.88669081135555 1.69388026261526 +14014.8690493819 1.28174318600069 2.87856558662998 1.71346526271565 +15016.2362331053 1.27123997411091 2.86984268892044 1.7332929808956 +16017.577657803 1.26109095740477 2.86053071589995 1.7533545996643 +17018.8931842064 1.25129611407506 2.85063865320809 1.77364092645194 +18020.1826798406 1.24185531217284 2.84017605204668 1.79414239263416 +19021.4460190412 1.23276830554706 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2.85685598943852 +5000000 2.22608156765756 2.62709430408297 2.85730198411054 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin, Parker et al., Interface 2012 - Model-checking examples.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin, Parker et al., Interface 2012 - Model-checking examples.crn new file mode 100644 index 0000000..6a74a2b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin, Parker et al., Interface 2012 - Model-checking examples.crn @@ -0,0 +1,27 @@ +directive sample 0.0,300000.0 1000 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init S 1.0 | +init T_7 1.0 | +init T_6 1.0 | +init T_5 1.0 | +init T_4 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + S <->{0.001}{0.001} sp_1 + sp_0 | +sp_1 + T ->{0.001} sp_4 + sp_3 + sp_2 | +sp_7 + T_5 ->{0.001} sp_10 + sp_9 + sp_8 | +sp_4 + sp_5 ->{0.001} sp_12 + sp_11 | +T_7 + sp_2 <->{0.001}{0.001} sp_7 + sp_5 | +sp_6 + T_1 ->{0.001} sp_14 + sp_3 + sp_13 | +T_3 + sp_2 <->{0.001}{0.001} sp_6 + sp_5 | +sp_14 + sp_0 ->{0.001} sp_16 + sp_15 | +sp_18 + T_4 ->{0.001} sp_19 + sp_9 + sp_2 | +sp_19 + sp_5 ->{0.001} sp_20 + sp_11 | +sp_10 + sp_17 ->{0.001} sp_22 + sp_21 | +T_6 + sp_13 <->{0.001}{0.001} sp_18 + sp_17 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin, Parker et al., Interface 2012 - Model-checking examples_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin, Parker et al., Interface 2012 - Model-checking examples_simulation/deterministic.tsv new file mode 100644 index 0000000..09015f4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Lakin, Parker et al., Interface 2012 - Model-checking examples_simulation/deterministic.tsv @@ -0,0 +1,116 @@ +Time S T_7 T_6 T_5 T_4 T_3 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+directive reltolerance 1e-5 +directive parameters + [ ka = 0.00043333 + ; kda = 0.0383 + ; kdb = 0.0135 + ; kdInhT1 = 9.5E-05 + ; kdInhT3 = 3.5E-05 + ; kpol = 0.2833 + ; kIpol = 0.115 + ; knick = 0.05 + ; kexoa = 0.0053 + ; kexob = 0.0062 + ; kexoInh = 0.02 + ; ku = 0.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init A 0.1 | +init B 0.1 | +init Inh 0.1 | +init Template_2 30.0 | +init Template_1 30.0 | +init Template 5.0 | +Primed ->{kpol} Extended | +Extended ->{knick} Nicked | +Nicked ->{kpol} Extended + B | +Primed_1 ->{kIpol} Extended_1 | +Extended_1 ->{knick} Nicked_1 | +Nicked_1 ->{kIpol} Extended_1 + Inh | +Primed_2 ->{kpol} Extended_2 | +Extended_2 ->{knick} Nicked_2 | +Nicked_2 ->{kpol} Extended_2 + A | +Inhibited <->{kdInhT1}{ka} Inh + Template_2 | +Inhibited + A <->{ku}{ka} Inh + Primed_2 | +Inhibited + A <->{ku}{ka} Inh + sp_0 | +A ->{kexoa} | +B ->{kexob} | +Inh ->{kexoInh} | +Nicked_2 <->{kda}{ka} sp_0 + A | +sp_0 <->{kda}{ka} Template_2 + A | +Template_2 + A <->{ka}{kda} Primed_2 | +Nicked_2 <->{kda}{ka} Primed_2 + A | +Nicked_1 <->{kdb}{ka} sp_1 + B | +sp_1 <->{kdInhT3}{ka} Template_1 + Inh | +Template_1 + B <->{ka}{kdb} Primed_1 | +Nicked_1 <->{kdInhT3}{ka} Primed_1 + Inh | +Nicked <->{kda}{ka} sp_2 + A | +sp_2 <->{kdb}{ka} Template + B | +Template + A <->{ka}{kda} Primed | +Nicked <->{kdb}{ka} Primed + B diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Montagne et al., Mol Syst Biol 2011 - Oscillator_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Montagne et al., Mol Syst Biol 2011 - Oscillator_simulation/deterministic.tsv new file mode 100644 index 0000000..dbd2876 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Montagne et al., Mol Syst Biol 2011 - Oscillator_simulation/deterministic.tsv @@ -0,0 +1,3590 @@ +Time A B Inh +0 0.1 0.1 0.1 +4.01999983167163 0.0880940657966658 0.0919113702078496 0.0831262836586639 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0.002), 0.0003, log, random + ; kb, (1E-05, 0.002), 0.0003, log, random + ; kc, (1E-05, 0.002), 0.0003, log, random + ; ua = 0.1 + ; ub = 0.1 + ; ur = 0.1 + ; uq = 0.1 + ; uc = 0.1 + ; kt, (1E-05, 0.002), 0.0003, log, random + ; ku1, (1E-05, 0.002), 0.0003, log, random + ; ku2, (1E-05, 0.002), 0.0003, log, random + ; ku3, (1E-05, 0.002), 0.0003, log, random + ; ut = 0.1 + ; uu1 = 0.1 + ; uu2 = 0.1 + ; uu3 = 0.1 + ; X = 50.0 + ; NG = 75.0 + ; NH = 100.0 + ; NR = 150.0 + ; Xv = 40.0 + ; NGv = 120.0 + ; NHv = 120.0 + ; NRv = 120.0 + ; Xh = 10.0 + ; NGh = 15.0 + ; NHh = 20.0 + ; NRh = 30.0 + ; Xi = 10.0 + ; NGi = 30.0 + ; NHi = 30.0 + ; NRi = 30.0 + ; NMi = 100.0 + ; Xr = 1.0 + ; NRr = 3.0 + ; Xm = 40.0 + ; NGm = 80.0 + ; NHm = 80.0 + ; NRm = 120.0 + ; leakXY2B_J = 0.01 + ; badXY2B_X = 0.01 + ; leakXY2B_F = 0.01 + ; badXY2B_Y = 0.01 + ; leakBX2X_J = 0.01 + ; badBX2X_B = 0.01 + ; leakBX2X_F = 0.01 + ; badBX2X_X = 0.01 + ; leakBY2Y_J = 0.01 + ; badBY2Y_B = 0.01 + ; leakBY2Y_F = 0.01 + ; badBY2Y_Y = 0.01 + ; leakJoinBX_B = 0.01 + ; badJoinBX_B = 0.01 + ; leakJoinBX_X = 0.01 + ; badJoinBX_X = 0.01 + ; leakJoinBX_H = 0.01 + ; badJoinBX_H = 0.01 + ; leakJoinBY_B = 0.01 + ; badJoinBY_B = 0.01 + ; leakJoinBY_Y = 0.01 + ; badJoinBY_Y = 0.01 + ; leakJoinBY_H = 0.01 + ; badJoinBY_H = 0.01 + ; leakJoinXY_X = 0.01 + ; badJoinXY_X = 0.01 + ; leakJoinXY_Y = 0.01 + ; badJoinXY_Y = 0.01 + ; leakJoinXY_H = 0.01 + ; badJoinXY_H = 0.01 + ; leakFork2B_R = 0.01 + ; badFork2B_R = 0.01 + ; leakFork2B_H1 = 0.01 + ; badFork2B_H1 = 0.01 + ; leakFork2B_H2 = 0.01 + ; badFork2B_H2 = 0.01 + ; leakFork2X_R = 0.01 + ; badFork2X_R = 0.01 + ; leakFork2X_H1 = 0.01 + ; badFork2X_H1 = 0.01 + ; leakFork2X_H2 = 0.01 + ; badFork2X_H2 = 0.01 + ; leakFork2Y_R = 0.01 + ; badFork2Y_R = 0.01 + ; leakFork2Y_H1 = 0.01 + ; badFork2Y_H1 = 0.01 + ; leakFork2Y_H2 = 0.01 + ; badFork2Y_H2 = 0.01 + ; leakJoinBX_R1 = 0.01 + ; badJoinBX_R1 = 0.01 + ; leakJoinBX_R2 = 0.01 + ; badJoinBX_R2 = 0.01 + ; leakJoinBX_R3 = 0.01 + ; badJoinBX_R3 = 0.01 + ; leakJoinBY_R1 = 0.01 + ; badJoinBY_R1 = 0.01 + ; leakJoinBY_R2 = 0.01 + ; badJoinBY_R2 = 0.01 + ; leakJoinBY_R3 = 0.01 + ; badJoinBY_R3 = 0.01 + ; leakJoinXY_R1 = 0.01 + ; badJoinXY_R1 = 0.01 + ; leakJoinXY_R2 = 0.01 + ; badJoinXY_R2 = 0.01 + ; leakJoinXY_R3 = 0.01 + ; badJoinXY_R3 = 0.01 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init CatalystR NMi | +init InputR NMi | +init Join_ABRev (NGi * (1.0 - leakJoinBX_R3)) | +init Input (NGi * leakJoinBX_R3) | +init Rep_Fork NRi | +init Translator ((0.4 * Xi) * (1.0 - badJoinBX_R3)) | +Rep_Fork + Input ->{kt} sp_0 + Signal_Fork | +Join_ABRev + Translator <->{ku1}{kt} sp_1 + Helper | +sp_1 + CatalystR <->{kt}{kt} sp_2 + Catalyst | +sp_2 + InputR <->{kt}{kt} sp_3 + Input diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Nature Nanotech 2013 - Consensus Modules_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Nature Nanotech 2013 - Consensus Modules_simulation/deterministic.tsv new file mode 100644 index 0000000..2cb1595 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Nature Nanotech 2013 - Consensus Modules_simulation/deterministic.tsv @@ -0,0 +1,732 @@ +Time Catalyst Input +0 0 0.3 +42.8513049738239 0.566162272540403 0.385493038109596 +87.496224189365 1.4444890140917 0.812774039454261 +131.457791778292 2.1485289001099 1.15769128519609 +180.461372231796 2.71190057794942 1.3020591950499 +230.184085779905 3.10308102440387 1.25612868978476 +274.337128984021 3.34447641945745 1.13182768734666 +323.869153731713 3.53401570909667 0.959375660383181 +378.521587859481 3.67535219776767 0.769643889284262 +422.582227681308 3.75399075844107 0.631744682227053 +467.970082185577 3.81217949329289 0.508536805835705 +516.973716086246 3.85660140166355 0.397514387328378 +567.393986829278 3.88836738800085 0.305302376532461 +619.877181254144 3.9110832001555 0.229818084352893 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b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Nature Nanotech 2013 - Consensus Parameterized.crn new file mode 100644 index 0000000..eb20ba4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Nature Nanotech 2013 - Consensus Parameterized.crn @@ -0,0 +1,89 @@ +directive sample 0.0,(15.0 * 3600.0) 500 +directive plot Input; Catalyst; Input_1 +directive simulation deterministic +directive parameters + [ kF1_YY = 4.3095E-06 + ; kJ1 = 7.9236E-06 + ; kJ1r = 8.2974E-05 + ; kJ2 = 0.00012138 + ; kJ2r = 1.0223E-06 + ; kJ3 = 0.0005016 + ; kJ3r = 1.0123E-06 + ; kF1 = 1.2721E-05 + ; kF1r = 0.00023276 + ; kF2 = 5.653E-05 + ; kF2r = 0.00012561 + ; kF3 = 7.4418E-05 + ; kF3r = 1.0293E-06 + ; kF4 = 1.3428E-06 + ; kF5 = 0.00097709 + ; X = 80.0 + ; NG = 160.0 + ; NH = 160.0 + ; Nx = 0.7 + ; leakXY2B_J = 0.0172 + ; leakXY2B_F = 0.009 + ; leakBX2X_J = 0.0114 + ; leakBX2X_F = 2.2677E-06 + ; leakBY2Y_J = 0.0105 + ; leakBY2Y_F = 0.0154 + ; badXY2B_X = 3.5686E-05 + ; badXY2B_Y = 7.6834E-05 + ; badBX2X_B = 0.1504 + ; badBX2X_X = 0.1195 + ; badBY2Y_B = 1.0204E-05 + ; badBY2Y_Y = 0.25 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] +directive sweep mysweep = + { Nx = [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9] } + +init Catalyst ((X * (1.0 - Nx)) * (1.0 - badXY2B_Y)) | +init End (4.0 * NH) | +init Fork_2 ((NG * 1.2) * (1.0 - leakBY2Y_F)) | +init Fork_1 (NG * (1.0 - leakBX2X_F)) | +init Fork (NG * (1.0 - leakXY2B_F)) | +init Helper_2 (NH * 1.2) | +init Helper_1 NH | +init Helper NH | +init Input ((X * Nx) * (1.0 - badXY2B_X)) | +init Join_2 ((NG * 1.2) * (1.0 - leakBY2Y_J)) | +init Translator_2 ((NG * 1.2) * leakBY2Y_J) | +init Join_1 (NG * (1.0 - leakBX2X_J)) | +init Translator_1 (NG * leakBX2X_J) | +init Join (NG * (1.0 - leakXY2B_J)) | +init Translator (NG * leakXY2B_J) | +init Output1R_2 (NH * 1.2) | +init Output1R_1 NH | +init Output1R NH | +init Output2R_2 (NH * 1.2) | +init Output2R_1 NH | +init Output2R NH | +init Output3R_2 (NH * 1.2) | +init Output3R_1 NH | +init Output3R NH | +sp_8 + sp_13 <->{kJ1r}{kJ1} Input + Join | +sp_2 + sp_14 <->{kJ2r}{kJ2} Catalyst + sp_13 | +Translator + sp_15 <->{kJ3r}{kJ3} Helper + sp_14 | +sp_16 + sp_17 <->{kF1r}{kF1} Translator + Fork | +Input_1 + sp_20 <->{kF2r}{kF2} Output1R + sp_17 | +sp_25 + sp_26 <->{kF3r}{kF3} Output2R + sp_20 | +Input_1 + sp_32 <->{kF2r}{kF4} Output3R + sp_26 | +End + sp_32 ->{kF5} sp_33 + sp_28 | +sp_0 + sp_7 <->{kJ1r}{kJ1} Input_1 + Join_1 | +sp_8 + sp_9 <->{kJ2r}{kJ2} Input + sp_7 | +Translator_1 + sp_10 <->{kJ3r}{kJ3} Helper_1 + sp_9 | +sp_11 + sp_12 <->{kF1r}{kF1} Translator_1 + Fork_1 | +Input + sp_19 <->{kF2r}{kF2} Output1R_1 + sp_12 | +sp_23 + sp_24 <->{kF3r}{kF3} Output2R_1 + sp_19 | +Input + sp_30 <->{kF2r}{kF4} Output3R_1 + sp_24 | +End + sp_30 ->{kF5} sp_31 + sp_28 | +sp_0 + sp_1 <->{kJ1r}{kJ1} Input_1 + Join_2 | +sp_2 + sp_3 <->{kJ2r}{kJ2} Catalyst + sp_1 | +Translator_2 + sp_4 <->{kJ3r}{kJ3} Helper_2 + sp_3 | +sp_5 + sp_6 <->{kF1r}{kF1_YY} Translator_2 + Fork_2 | +Catalyst + sp_18 <->{kF2r}{kF2} Output1R_2 + sp_6 | +sp_21 + sp_22 <->{kF3r}{kF3} Output2R_2 + sp_18 | +Catalyst + sp_27 <->{kF2r}{kF4} Output3R_2 + sp_22 | +End + sp_27 ->{kF5} sp_29 + sp_28 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Nature Nanotech 2013 - Consensus Parameterized_simulation/mysweep/deterministic_Nx = 0.1.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Nature Nanotech 2013 - Consensus Parameterized_simulation/mysweep/deterministic_Nx = 0.1.tsv new file mode 100644 index 0000000..9a597a1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Nature Nanotech 2013 - Consensus Parameterized_simulation/mysweep/deterministic_Nx = 0.1.tsv @@ -0,0 +1,501 @@ +Time Input Catalyst Input_1 +0 7.999714512 71.994467952 0 +107.987036335226 7.12287392020855 71.6904449017403 0.183938344040196 +216.113939948342 6.46848927254779 71.0672503118336 0.501051277550509 +325.521911037615 5.90438194353877 70.3428979200113 0.823295991091344 +434.519990509158 5.39439628918994 69.6075912295057 1.11639943033178 +543.463224653696 4.92083007686686 68.8866306424483 1.37365250504428 +652.426370349154 4.47886669526834 68.1905323873872 1.59261432303236 +761.423257084565 4.06785312227959 67.525210851132 1.77357055982248 +870.455907187304 3.68815978102547 66.8949241713785 1.91910612455126 +979.524062663464 3.34002914557753 66.3029213547427 2.03336609348719 +1088.62930601518 3.02318941243337 65.7514508364688 2.1212351040309 +1197.77351732693 2.73679797621397 65.2417256834136 2.18766674998727 +1306.95841807126 2.4795085192188 64.7739593192962 2.23724395186809 +1416.18563434122 2.24958498312995 64.3474838491101 2.27394422828248 +1525.45666068275 2.045026644848 63.9609214944766 2.30105462683575 +1634.77293961003 1.86368506571727 63.6123733358988 2.32118275793577 +1744.13573803771 1.70336447084522 63.2996007425795 2.33632178806247 +1853.54629179981 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+sp_5 + sp_0 ->{0.00042} sp_7 + sp_6 | +sp_7 <->{0.004}{0.00065} sp_8 + sp_1 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Scienze 2007 - Catalytic Directives_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Scienze 2007 - Catalytic Directives_simulation/deterministic.tsv new file mode 100644 index 0000000..d90c3b7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Scienze 2007 - Catalytic Directives_simulation/deterministic.tsv @@ -0,0 +1,222 @@ +Time sp_0 sp_1 sp_6 sp_4 sp_2 +0 13 10 0 0 10 +2.88488906901787 12.9999456788762 9.81694593461076 5.43211237772089E-05 0.0102468319420798 9.81694577748339 +6.44871322754883 12.9994254432652 9.60236277086462 0.000574556734757741 0.0479325209365809 9.6023590429162 +10.0996597187139 12.9979109427811 9.39452304602818 0.00208905721890585 0.110034931279372 9.3945017411357 +13.4927637647656 12.9952635784587 9.21120701436834 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<->{0.004}{0.00065} sp_8 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Scienze 2007 - Catalytic_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Scienze 2007 - Catalytic_simulation/deterministic.tsv new file mode 100644 index 0000000..d65951e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Scienze 2007 - Catalytic_simulation/deterministic.tsv @@ -0,0 +1,364 @@ +Time sp_2 sp_1 sp_0 sp_3 sp_5 sp_4 sp_7 sp_6 sp_8 +0 10 10 13 0 0 0 0 0 0 +6.44871322754883 9.6023590429162 9.60236277086462 12.9994254432652 0.349708436147219 0.0473579642018232 0.0479325209365809 0.000570828786339886 0.000574556734757741 3.72794841785592E-06 +13.4927637647656 9.21114227317359 9.21120701436834 12.9952635784587 0.603975369774312 0.180145935510832 0.184882357052094 0.00467168034652021 0.00473642154126206 6.47411947418528E-05 +21.5764312402002 8.8075818409328 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newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Simple - AND Circuit_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Simple - AND Circuit_simulation/deterministic.tsv new file mode 100644 index 0000000..8eafa50 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Simple - AND Circuit_simulation/deterministic.tsv @@ -0,0 +1,998 @@ +Time Input1 Input2 Output +0 1 1 0 +991.051269015187 0.96007201647033 0.960072016470331 0.0145704312409929 +1997.58127276026 0.946010450177249 0.946010450177249 0.0290441487662245 +3005.17441377124 0.932351419851639 0.93235141985164 0.0430960629675391 +4013.05321156746 0.91908700450248 0.91908700450248 0.0567344291651338 +5021.00515272839 0.90621555298306 0.906215552983061 0.0699749829393989 +6029.08969667131 0.89371516604297 0.893715166042971 0.0828360155704689 +7037.299854751 0.881563743751491 0.881563743751492 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of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Square root - Qian and Winfree 4 bit square root circuit.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Square root - Qian and Winfree 4 bit square root circuit.crn new file mode 100644 index 0000000..8c055fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Square root - Qian and Winfree 4 bit square root circuit.crn @@ -0,0 +1,246 @@ +directive sample 0.0,36000.0 10000 +directive plot sp_23; sp_78; sp_34; sp_89 +directive scale 20.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init gateL_37 50.0 | +init gateL_36 50.0 | +init gateL_35 50.0 | +init gateL_34 50.0 | +init gateL_33 50.0 | +init gateL_32 50.0 | +init gateL_31 50.0 | +init gateL_30 50.0 | +init gateL_29 50.0 | +init gateL_28 50.0 | +init gateL_27 50.0 | +init gateL_26 50.0 | +init gateL_25 50.0 | +init gateL_24 100.0 | +init gateL_23 50.0 | +init gateL_22 100.0 | +init gateL_21 50.0 | +init gateL_20 100.0 | +init gateL_19 50.0 | +init gateL_18 100.0 | +init gateL_17 50.0 | +init gateL_16 150.0 | +init gateL_15 50.0 | +init gateL_14 150.0 | +init gateL_13 50.0 | +init gateL_12 100.0 | +init gateL_11 50.0 | +init gateL_10 100.0 | +init gateL_9 50.0 | +init gateL_8 100.0 | +init gateL_7 50.0 | +init gateL_6 100.0 | +init gateL_5 50.0 | +init gateL_4 50.0 | +init gateL_3 100.0 | +init gateL_2 50.0 | +init gateL_1 50.0 | +init gateL 100.0 | +init reporter_3 75.0 | +init reporter_2 75.0 | +init reporter_1 75.0 | +init reporter 75.0 | +init signal_23 300.0 | +init signal_22 300.0 | +init signal_21 300.0 | +init signal_20 300.0 | +init signal_19 100.0 | +init signal_18 100.0 | +init signal_17 100.0 | +init signal_16 100.0 | +init signal_15 100.0 | +init signal_14 100.0 | +init signal_13 100.0 | +init signal_12 100.0 | +init signal_11 100.0 | +init signal_10 100.0 | +init signal_9 200.0 | +init signal_8 200.0 | +init signal_7 5.0 | +init signal_6 45.0 | +init signal_5 45.0 | +init signal_4 5.0 | +init signal_3 5.0 | +init signal_2 45.0 | +init signal_1 5.0 | +init signal 45.0 | +init thresholdL_15 10.0 | +init thresholdL_14 10.0 | +init thresholdL_13 10.0 | +init thresholdL_12 10.0 | +init thresholdL_11 30.0 | +init thresholdL_10 60.0 | +init thresholdL_9 30.0 | +init thresholdL_8 60.0 | +init thresholdL_7 30.0 | +init thresholdL_6 110.0 | +init thresholdL_5 30.0 | +init thresholdL_4 60.0 | +init thresholdL_3 60.0 | +init thresholdL_2 30.0 | +init thresholdL_1 60.0 | +init thresholdL 30.0 | +gateL_37 + signal_7 <->{5E-05}{26.0} sp_2 | +sp_4 + signal_23 <->{5E-05}{26.0} sp_5 | +sp_5 <->{26.0}{5E-05} sp_6 + signal_7 | +sp_2 <->{26.0}{5E-05} sp_4 + sp_3 | +gateL_14 + sp_3 <->{5E-05}{26.0} sp_7 | +sp_7 <->{26.0}{5E-05} sp_9 + sp_8 | +gateL_15 + sp_8 <->{5E-05}{26.0} sp_10 | +sp_12 + signal_14 <->{5E-05}{26.0} sp_13 | +sp_13 <->{26.0}{5E-05} sp_14 + sp_8 | +sp_10 <->{26.0}{5E-05} sp_12 + sp_11 | +gateL_24 + sp_11 <->{5E-05}{26.0} sp_15 | +sp_15 <->{26.0}{5E-05} sp_17 + sp_16 | +gateL_25 + sp_16 <->{5E-05}{26.0} sp_18 | +sp_20 + signal_19 <->{5E-05}{26.0} sp_21 | +sp_21 <->{26.0}{5E-05} sp_22 + sp_16 | +reporter_3 + sp_19 ->{5E-05} sp_24 + sp_23 | +sp_18 <->{26.0}{5E-05} sp_20 + sp_19 | +gateL_36 + signal_7 <->{5E-05}{26.0} sp_1 | +sp_1 <->{26.0}{5E-05} sp_4 + sp_25 | +gateL_12 + sp_25 <->{5E-05}{26.0} sp_26 | +sp_26 <->{26.0}{5E-05} sp_28 + sp_27 | +gateL_13 + sp_27 <->{5E-05}{26.0} sp_29 | +sp_31 + signal_13 <->{5E-05}{26.0} sp_32 | +sp_32 <->{26.0}{5E-05} sp_33 + sp_27 | +reporter_1 + sp_30 ->{5E-05} sp_35 + sp_34 | +sp_29 <->{26.0}{5E-05} sp_31 + sp_30 | +gateL_35 + signal_7 <->{5E-05}{26.0} sp_0 | +sp_0 <->{26.0}{5E-05} sp_4 + sp_36 | +gateL_6 + sp_36 <->{5E-05}{26.0} sp_37 | +sp_37 <->{26.0}{5E-05} sp_39 + sp_38 | +gateL_7 + sp_38 <->{5E-05}{26.0} sp_40 | +sp_42 + signal_10 <->{5E-05}{26.0} sp_43 | +sp_43 <->{26.0}{5E-05} sp_44 + sp_38 | +sp_40 <->{26.0}{5E-05} sp_42 + sp_41 | +gateL_18 + sp_41 <->{5E-05}{26.0} sp_45 | +sp_45 <->{26.0}{5E-05} sp_47 + sp_46 | +gateL_19 + sp_46 <->{5E-05}{26.0} sp_48 | +sp_50 + signal_16 <->{5E-05}{26.0} sp_51 | +sp_51 <->{26.0}{5E-05} sp_52 + sp_46 | +sp_48 <->{26.0}{5E-05} sp_50 + sp_49 | +gateL_24 + sp_49 <->{5E-05}{26.0} sp_53 | +sp_53 <->{26.0}{5E-05} sp_54 + sp_16 | +gateL_34 + signal_6 <->{5E-05}{26.0} sp_57 | +sp_59 + signal_22 <->{5E-05}{26.0} sp_60 | +sp_60 <->{26.0}{5E-05} sp_61 + signal_6 | +sp_57 <->{26.0}{5E-05} sp_59 + sp_58 | +gateL_16 + sp_58 <->{5E-05}{26.0} sp_62 | +sp_62 <->{26.0}{5E-05} sp_64 + sp_63 | +gateL_17 + sp_63 <->{5E-05}{26.0} sp_65 | +sp_67 + signal_15 <->{5E-05}{26.0} sp_68 | +sp_68 <->{26.0}{5E-05} sp_69 + sp_63 | +sp_65 <->{26.0}{5E-05} sp_67 + sp_66 | +gateL_22 + sp_66 <->{5E-05}{26.0} sp_70 | +sp_70 <->{26.0}{5E-05} sp_72 + sp_71 | +gateL_23 + sp_71 <->{5E-05}{26.0} sp_73 | +sp_75 + signal_18 <->{5E-05}{26.0} sp_76 | +sp_76 <->{26.0}{5E-05} sp_77 + sp_71 | +reporter_2 + sp_74 ->{5E-05} sp_79 + sp_78 | +sp_73 <->{26.0}{5E-05} sp_75 + sp_74 | +gateL_33 + signal_6 <->{5E-05}{26.0} sp_56 | +sp_56 <->{26.0}{5E-05} sp_59 + sp_80 | +gateL_10 + sp_80 <->{5E-05}{26.0} sp_81 | +sp_81 <->{26.0}{5E-05} sp_83 + sp_82 | +gateL_11 + sp_82 <->{5E-05}{26.0} sp_84 | +sp_86 + signal_12 <->{5E-05}{26.0} sp_87 | +sp_87 <->{26.0}{5E-05} sp_88 + sp_82 | +reporter + sp_85 ->{5E-05} sp_90 + sp_89 | +sp_84 <->{26.0}{5E-05} sp_86 + sp_85 | +gateL_32 + signal_6 <->{5E-05}{26.0} sp_55 | +sp_55 <->{26.0}{5E-05} sp_59 + sp_91 | +gateL_8 + sp_91 <->{5E-05}{26.0} sp_92 | +sp_92 <->{26.0}{5E-05} sp_94 + sp_93 | +gateL_9 + sp_93 <->{5E-05}{26.0} sp_95 | +sp_97 + signal_11 <->{5E-05}{26.0} sp_98 | +sp_98 <->{26.0}{5E-05} sp_99 + sp_93 | +sp_95 <->{26.0}{5E-05} sp_97 + sp_96 | +gateL_20 + sp_96 <->{5E-05}{26.0} sp_100 | +sp_100 <->{26.0}{5E-05} sp_102 + sp_101 | +gateL_21 + sp_101 <->{5E-05}{26.0} sp_103 | +sp_105 + signal_17 <->{5E-05}{26.0} sp_106 | +sp_106 <->{26.0}{5E-05} sp_107 + sp_101 | +sp_103 <->{26.0}{5E-05} sp_105 + sp_104 | +gateL_22 + sp_104 <->{5E-05}{26.0} sp_108 | +sp_108 <->{26.0}{5E-05} sp_109 + sp_71 | +gateL_31 + signal_5 <->{5E-05}{26.0} sp_112 | +sp_114 + signal_21 <->{5E-05}{26.0} sp_115 | +sp_115 <->{26.0}{5E-05} sp_116 + signal_5 | +sp_112 <->{26.0}{5E-05} sp_114 + sp_113 | +gateL_14 + sp_113 <->{5E-05}{26.0} sp_117 | +sp_117 <->{26.0}{5E-05} sp_118 + sp_8 | +gateL_30 + signal_5 <->{5E-05}{26.0} sp_111 | +sp_111 <->{26.0}{5E-05} sp_114 + sp_119 | +gateL_12 + sp_119 <->{5E-05}{26.0} sp_120 | +sp_120 <->{26.0}{5E-05} sp_121 + sp_27 | +gateL_29 + signal_5 <->{5E-05}{26.0} sp_110 | +sp_110 <->{26.0}{5E-05} sp_114 + sp_122 | +gateL_8 + sp_122 <->{5E-05}{26.0} sp_123 | +sp_123 <->{26.0}{5E-05} sp_124 + sp_93 | +gateL_28 + signal_4 <->{5E-05}{26.0} sp_127 | +sp_129 + signal_20 <->{5E-05}{26.0} sp_130 | +sp_130 <->{26.0}{5E-05} sp_131 + signal_4 | +sp_127 <->{26.0}{5E-05} sp_129 + sp_128 | +gateL_16 + sp_128 <->{5E-05}{26.0} sp_132 | +sp_132 <->{26.0}{5E-05} sp_133 + sp_63 | +gateL_27 + signal_4 <->{5E-05}{26.0} sp_126 | +sp_126 <->{26.0}{5E-05} sp_129 + sp_134 | +gateL_10 + sp_134 <->{5E-05}{26.0} sp_135 | +sp_135 <->{26.0}{5E-05} sp_136 + sp_82 | +gateL_26 + signal_4 <->{5E-05}{26.0} sp_125 | +sp_125 <->{26.0}{5E-05} sp_129 + sp_137 | +gateL_6 + sp_137 <->{5E-05}{26.0} sp_138 | +sp_138 <->{26.0}{5E-05} sp_139 + sp_38 | +gateL + signal_3 <->{5E-05}{26.0} sp_140 | +sp_140 <->{26.0}{5E-05} sp_142 + sp_141 | +gateL_2 + sp_141 <->{5E-05}{26.0} sp_144 | +sp_146 + signal_8 <->{5E-05}{26.0} sp_147 | +sp_147 <->{26.0}{5E-05} sp_148 + sp_141 | +sp_144 <->{26.0}{5E-05} sp_146 + sp_145 | +gateL_18 + sp_145 <->{5E-05}{26.0} sp_149 | +sp_149 <->{26.0}{5E-05} sp_150 + sp_46 | +gateL_1 + sp_141 <->{5E-05}{26.0} sp_143 | +sp_143 <->{26.0}{5E-05} sp_146 + sp_151 | +gateL_16 + sp_151 <->{5E-05}{26.0} sp_152 | +sp_152 <->{26.0}{5E-05} sp_153 + sp_63 | +gateL_3 + signal_2 <->{5E-05}{26.0} sp_154 | +sp_154 <->{26.0}{5E-05} sp_156 + sp_155 | +gateL_5 + sp_155 <->{5E-05}{26.0} sp_158 | +sp_160 + signal_9 <->{5E-05}{26.0} sp_161 | +sp_161 <->{26.0}{5E-05} sp_162 + sp_155 | +sp_158 <->{26.0}{5E-05} sp_160 + sp_159 | +gateL_20 + sp_159 <->{5E-05}{26.0} sp_163 | +sp_163 <->{26.0}{5E-05} sp_164 + sp_101 | +gateL_4 + sp_155 <->{5E-05}{26.0} sp_157 | +sp_157 <->{26.0}{5E-05} sp_160 + sp_165 | +gateL_14 + sp_165 <->{5E-05}{26.0} sp_166 | +sp_166 <->{26.0}{5E-05} sp_167 + sp_8 | +gateL + signal_1 <->{5E-05}{26.0} sp_168 | +sp_168 <->{26.0}{5E-05} sp_169 + sp_141 | +gateL_3 + signal <->{5E-05}{26.0} sp_170 | +sp_170 <->{26.0}{5E-05} sp_171 + sp_155 | +thresholdL_15 + signal_7 ->{0.00205} sp_173 + sp_172 | +thresholdL_14 + signal_6 ->{0.00205} sp_175 + sp_174 | +thresholdL_13 + signal_5 ->{0.00205} sp_177 + sp_176 | +thresholdL_12 + signal_4 ->{0.00205} sp_179 + sp_178 | +thresholdL_11 + sp_16 ->{0.00205} sp_181 + sp_180 | +thresholdL_10 + sp_71 ->{0.00205} sp_183 + sp_182 | +thresholdL_9 + sp_101 ->{0.00205} sp_185 + sp_184 | +thresholdL_8 + sp_46 ->{0.00205} sp_187 + sp_186 | +thresholdL_7 + sp_63 ->{0.00205} sp_189 + sp_188 | +thresholdL_6 + sp_8 ->{0.00205} sp_191 + sp_190 | +thresholdL_5 + sp_27 ->{0.00205} sp_193 + sp_192 | +thresholdL_4 + sp_82 ->{0.00205} sp_195 + sp_194 | +thresholdL_3 + sp_93 ->{0.00205} sp_197 + sp_196 | +thresholdL_2 + sp_38 ->{0.00205} sp_199 + sp_198 | +thresholdL_1 + sp_155 ->{0.00205} sp_201 + sp_200 | +thresholdL + sp_141 ->{0.00205} sp_203 + sp_202 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Square root - Qian and Winfree 4 bit square root circuit_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Square root - Qian and Winfree 4 bit square root circuit_simulation/deterministic.tsv new file mode 100644 index 0000000..9315722 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Square root - Qian and Winfree 4 bit square root circuit_simulation/deterministic.tsv @@ -0,0 +1,9993 @@ +Time sp_23 sp_78 sp_34 sp_89 +0 0 0 0 0 +3.58327053421828 7.35748110466211E-15 7.71581310933032E-15 4.41881056205649E-09 4.2384639210469E-09 +7.18778890157021 4.46844811245256E-13 4.89433760364683E-13 6.92957363843608E-08 6.3911709597109E-08 +10.792065503447 4.55952501441008E-12 5.19035655106267E-12 3.34571903603243E-07 2.97649456809216E-07 +14.3951347790676 2.27361473283052E-11 2.67831991369857E-11 1.0028836768117E-06 8.63130739443281E-07 +17.9973446618233 7.6985518241606E-11 9.34965243716608E-11 2.31974179065734E-06 1.93659616956907E-06 +21.5999889581679 2.0468716117872E-10 2.55450026908227E-10 4.5597399803517E-06 3.70145691618905E-06 +25.2029214948066 4.61337675473091E-10 5.89972626828674E-10 8.01497231513625E-06 6.34068510341502E-06 +28.8063131209155 9.22466340761473E-10 1.20583056259868E-09 1.29876021202321E-05 1.0033373055104E-05 +32.4105337239445 1.6848649118168E-09 2.24638414423587E-09 1.97844566033237E-05 1.49530023119104E-05 +36.0147580708 2.86678199554082E-09 3.89108640666216E-09 2.8709581970556E-05 2.12642287950694E-05 +39.6189921142929 4.6083054049603E-09 6.35694996190136E-09 4.00642688536122E-05 2.91248878833808E-05 +43.2232323452383 7.07103278952767E-09 9.89878816501342E-09 5.41438273584357E-05 3.86852688061709E-05 +46.8274766288139 1.04375845795087E-08 1.48089973057213E-08 7.12360535040595E-05 5.00883418660038E-05 +50.4317233864443 1.49109390401475E-08 2.14168927497719E-08 9.16201808260947E-05 6.34700626328582E-05 +54.0359714385858 2.07136459420381E-08 3.00877135548456E-08 0.000115566211744068 7.89597137159162E-05 +57.6402198910358 2.80869587321989E-08 4.12213853020919E-08 0.000143334530229469 9.66802518704088E-05 +61.2444680580172 3.72899197487441E-08 5.52511175239126E-08 0.000175175723088722 0.000116748644777351 +64.8487154092851 4.85984169637609E-08 7.26418886335097E-08 0.000211330553055559 0.000139276188453922 +68.4529615331918 6.23042314112134E-08 9.38888649146258E-08 0.000252030042245581 0.000164368802924402 +72.0572061093944 7.87140864455797E-08 1.19515786343571E-07 0.000297495633991154 0.000192127305598639 +75.6614488889775 9.81487157596339E-08 1.5007335257919E-07 0.000347939410142104 0.000222647664378677 +79.26568967926 1.20941946170931E-07 1.86137618178958E-07 0.000403564344353404 0.000256021230592153 +82.8699283332996 1.4743980466271E-07 2.28308415884058E-07 0.000464564578886707 0.000292334954500274 +86.4741647403617 1.77999649950059E-07 2.77207815326318E-07 0.000531125714694188 0.000331671584914397 +90.0783988193557 2.12989343925728E-07 3.3347863695967E-07 0.000603425108685694 0.000374109855803826 +93.6826305131347 2.52786444533425E-07 3.97783007004123E-07 0.000681632170951409 0.000419724659507591 +97.2868597852184 2.97777430154764E-07 4.70800965439607E-07 0.000765908659260765 0.000468587209003769 +100.891086615384 3.48356950947089E-07 5.53229124080725E-07 0.00085640896775331 0.000520765190022939 +104.495310997195 4.04927127521971E-07 6.45779394898069E-07 0.000953280409350893 0.00057632290534609 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e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Input1 10.0 | +init Input2 10.0 | +init Join 100.0 | +init Reporter 100.0 | +sp_1 + Input2 <->{0.0003}{0.0003} sp_3 + sp_2 | +Join + Input1 <->{0.0003}{0.0003} sp_1 + sp_0 | +Reporter + sp_2 ->{0.0003} sp_4 + Signal \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Directives_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Directives_simulation/deterministic.tsv new file mode 100644 index 0000000..070420d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Directives_simulation/deterministic.tsv @@ -0,0 +1,279 @@ +Time Input1 Input2 sp_2 Signal +0 10 10 0 0 +5.62027233400483 8.46103319834844 9.9867099705696 0.0125616659373152 0.000728363493088792 +12.2084292003463 6.985237564729 9.9420021611491 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+init Input2 10.0 | +init Join 100.0 | +init Reporter 100.0 | +sp_1 + Input2 <->{0.0003}{0.0003} sp_3 + sp_2 | +Join + Input1 <->{0.0003}{0.0003} sp_1 + sp_0 | +Reporter + sp_2 ->{0.0003} sp_4 + Signal diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Events_simulation/sweep_1/deterministic_N = 0.0.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Events_simulation/sweep_1/deterministic_N = 0.0.tsv new file mode 100644 index 0000000..8cc8d49 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Events_simulation/sweep_1/deterministic_N = 0.0.tsv @@ -0,0 +1,3 @@ +Time Signal +0 0 +5999.99994 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Events_simulation/sweep_1/deterministic_N = 0.2.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Events_simulation/sweep_1/deterministic_N = 0.2.tsv new file mode 100644 index 0000000..9e1e5b2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Events_simulation/sweep_1/deterministic_N = 0.2.tsv @@ -0,0 +1,261 @@ +Time Signal +0 0 +599.999994 0 +600 0 +605.98034204183 0.000175154026193474 +612.06373329596 0.00130781925939551 +618.394606132587 0.00420734748124305 +625.737250824576 0.0103167347027718 +632.158840906861 0.0182995357698589 +639.03440898893 0.0296079205537374 +646.382766872271 0.0447247847283706 +654.206753724142 0.0639877955789849 +660.366660741507 0.0812119130460165 +666.947484836124 0.101370778471561 +673.633396885321 0.123462649610962 +680.424376396086 0.147306765076101 +687.320402875408 0.172714800903751 +694.319513310772 0.199489272078716 +701.394765596827 0.227335696379936 +708.542382151412 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298.15 ] + +init Input1 10.0 | +init Input2 10.0 | +init Join 100.0 | +init Reporter 100.0 | +Join + Input1 <->{0.0003}{0.1126} sp_0 | +sp_2 + Input2 <->{0.0003}{0.1126} sp_3 | +sp_3 <->{0.1126}{0.0003} sp_5 + sp_4 | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 | +Reporter + sp_4 ->{0.0003} sp_6 + Signal \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Reporter_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Reporter_simulation/deterministic.tsv new file mode 100644 index 0000000..7336f20 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join Reporter_simulation/deterministic.tsv @@ -0,0 +1,741 @@ +Time Input1 Input2 Signal +0 10 10 0 +9.33268774012738 8.24824474181399 9.99348365114479 9.65728212931321E-05 +19.9986978340899 7.07727337357024 9.96504895878487 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0.0,10000.0 1000 +directive plot Input1; Input2; Output +directive scale 10.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Input1 10.0 | +init Input2 10.0 | +init Join 100.0 | +Join + Input1 <->{0.0003}{0.1126} sp_0 | +sp_2 + Input2 <->{0.0003}{0.1126} sp_3 | +sp_3 <->{0.1126}{0.0003} sp_4 + Output | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join_simulation/deterministic.tsv new file mode 100644 index 0000000..10899b7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join_simulation/deterministic.tsv @@ -0,0 +1,744 @@ +Time Input1 Input2 Output +0 10 10 0 +9.33268780021232 8.2482447340266 9.99348365104983 0.0015878673935023 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file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..babc74e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Tutorial, VEMDP 2014 - Join_simulation/deterministicstiff.tsv @@ -0,0 +1,61 @@ +Time Input1 Input2 Output +0 10 10 0 +9.48070208403926 8.22820747976194 9.99324043228747 0.00167962292190527 +20.3263432418105 7.04474462898207 9.96390513976749 0.0164764504131851 +29.7612667526557 6.20421083621888 9.92358999795298 0.0441408973818163 +39.6132927611617 5.44789794737026 9.87008399647737 0.086318754783951 +52.7263393784833 4.60095214005955 9.78455505085174 0.159769343911725 +63.7995347259381 4.0057662822048 9.70241747590644 0.233991390404831 +77.1981010963584 3.40749132579904 9.59401670885086 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0.472681483559993 5.11809542023165 4.82000666085176 +9390 0.472681485267142 5.11809543663397 4.82000664446087 +9400 0.47268148697429 5.11809545303629 4.82000662806998 +9410 0.472681488681439 5.11809546943861 4.82000661167909 +9420 0.472681490388588 5.11809548584093 4.82000659528821 +9430 0.472681492095737 5.11809550224325 4.82000657889732 +9440 0.472681493802885 5.11809551864557 4.82000656250643 +9450 0.472681495510034 5.11809553504789 4.82000654611554 +9460 0.472681497217183 5.11809555145021 4.82000652972466 +9470 0.472681498924331 5.11809556785253 4.82000651333377 +9480 0.47268150063148 5.11809558425485 4.82000649694288 +9490 0.472681502338629 5.11809560065717 4.82000648055199 +9500 0.472681504045777 5.1180956170595 4.82000646416111 +9510 0.472681505752926 5.11809563346182 4.82000644777022 +9520 0.472681507460075 5.11809564986414 4.82000643137933 +9530 0.472681509167224 5.11809566626646 4.82000641498844 +9540 0.472681510874372 5.11809568266878 4.82000639859756 +9550 0.472681512581521 5.1180956990711 4.82000638220667 +9560 0.47268151428867 5.11809571547342 4.82000636581578 +9570 0.472681515995818 5.11809573187574 4.82000634942489 +9580 0.472681517702967 5.11809574827806 4.82000633303401 +9590 0.472681519410116 5.11809576468038 4.82000631664312 +9600 0.472681521117264 5.1180957810827 4.82000630025223 +9610 0.472681522824413 5.11809579748502 4.82000628386134 +9620 0.472681524531562 5.11809581388734 4.82000626747045 +9630 0.472681526238711 5.11809583028966 4.82000625107957 +9640 0.472681527945859 5.11809584669198 4.82000623468868 +9650 0.472681529653008 5.1180958630943 4.82000621829779 +9660 0.472681531360157 5.11809587949662 4.8200062019069 +9670 0.472681533067305 5.11809589589894 4.82000618551602 +9680 0.472681534774454 5.11809591230126 4.82000616912513 +9690 0.472681536481603 5.11809592870358 4.82000615273424 +9700 0.472681538188751 5.1180959451059 4.82000613634335 +9710 0.4726815398959 5.11809596150823 4.82000611995247 +9720 0.472681541603049 5.11809597791055 4.82000610356158 +9730 0.472681543310198 5.11809599431287 4.82000608717069 +9740 0.472681545017346 5.11809601071519 4.8200060707798 +9750 0.472681546724495 5.11809602711751 4.82000605438891 +9760 0.472681548431644 5.11809604351983 4.82000603799803 +9770 0.472681550138792 5.11809605992215 4.82000602160714 +9780 0.472681551845941 5.11809607632447 4.82000600521625 +9790 0.47268155355309 5.11809609272679 4.82000598882536 +9800 0.472681555260238 5.11809610912911 4.82000597243448 +9810 0.472681556967387 5.11809612553143 4.82000595604359 +9820 0.472681558674536 5.11809614193375 4.8200059396527 +9830 0.472681560381685 5.11809615833607 4.82000592326181 +9840 0.472681562088833 5.11809617473839 4.82000590687093 +9850 0.472681563795982 5.11809619114071 4.82000589048004 +9860 0.472681565503131 5.11809620754303 4.82000587408915 +9870 0.472681567210279 5.11809622394535 4.82000585769826 +9880 0.472681568917428 5.11809624034767 4.82000584130738 +9890 0.472681570624577 5.11809625675 4.82000582491649 +9900 0.472681572331726 5.11809627315232 4.8200058085256 +9910 0.472681574038874 5.11809628955464 4.82000579213471 +9920 0.472681575746023 5.11809630595696 4.82000577574383 +9930 0.472681577453172 5.11809632235928 4.82000575935294 +9940 0.47268157916032 5.1180963387616 4.82000574296205 +9950 0.472681580867469 5.11809635516392 4.82000572657116 +9960 0.472681582574618 5.11809637156624 4.82000571018027 +9970 0.472681584281766 5.11809638796856 4.82000569378939 +9980 0.472681585988915 5.11809640437088 4.8200056773985 +9990 0.472681587696064 5.1180964207732 4.82000566100761 +10000 0.472681589403213 5.11809643717552 4.82000564461672 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.crn new file mode 100644 index 0000000..f9e82fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.crn @@ -0,0 +1,153 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init Annihilation_15 Cmax | +init Annihilation_14 Cmax | +init Annihilation_13 Cmax | +init Annihilation_12 Cmax | +init Annihilation_11 Cmax | +init Annihilation_10 Cmax | +init Annihilation_9 Cmax | +init Annihilation_8 Cmax | +init Annihilation_7 Cmax | +init Annihilation_6 Cmax | +init Annihilation_5 Cmax | +init Annihilation_4 Cmax | +init Annihilation_3 Cmax | +init Annihilation_2 Cmax | +init Annihilation_1 Cmax | +init Annihilation Cmax | +init Catalysis_12 Cmax | +init Catalysis_11 (2.0 * Cmax) | +init Catalysis_10 (2.0 * Cmax) | +init Catalysis_9 Cmax | +init Catalysis_8 Cmax | +init Catalysis_7 (2.0 * Cmax) | +init Catalysis_6 Cmax | +init Catalysis_1 Cmax | +init Catalysis Cmax | +init Catalysis'_12 Cmax | +init Catalysis'_11 (2.0 * Cmax) | +init Catalysis'_10 (2.0 * Cmax) | +init Catalysis'_9 Cmax | +init Catalysis'_8 Cmax | +init Catalysis'_7 (2.0 * Cmax) | +init Catalysis'_6 Cmax | +init Catalysis'_1 Cmax | +init Catalysis' Cmax | +init Catalysis'_3 (2.0 * Cmax) | +init Catalysis'_2 (4.0 * Cmax) | +init CatalysisInv_1 Cmax | +init CatalysisInv Cmax | +init Catalysis_5 (10.0 * Cmax) | +init Catalysis_4 (10.0 * Cmax) | +init Catalysis_3 (2.0 * Cmax) | +init Catalysis_2 (4.0 * Cmax) | +init CatalysisInv'_1 Cmax | +init CatalysisInv' Cmax | +init Degradation_1 Cmax | +init Degradation Cmax | +init Degradation'_1 Cmax | +init Degradation' Cmax | +init R x0 | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +Annihilation_4 + R <->{kt}{kt} sp_2 + Annihilation_6 | +sp_4 + Catalysis_4 ->{ku} sp_6 + sp_5 | +sp_1 + Catalysis_3 <->{ku}{ku} sp_4 + sp_3 | +sp_8 + Catalysis_5 ->{kt} sp_9 + sp_5 | +Degradation + sp_7 ->{(kt * c)} sp_11 + sp_10 | +Catalysis_2 + sp_3 <->{ku}{kt} sp_8 + sp_7 | +Annihilation_12 + sp_7 <->{kt}{kt} sp_14 + Annihilation_14 | +Catalysis_9 + sp_7 <->{(kt * c)}{ku} sp_13 + sp_3 | +sp_16 + Catalysis_4 ->{ku} sp_17 + sp_5 | +sp_13 + Catalysis_11 <->{ku}{ku} sp_16 + sp_15 | +sp_18 + Catalysis_5 ->{kt} sp_19 + sp_5 | +Degradation_1 + V ->{(kt * c)} sp_21 + sp_20 | +Catalysis_10 + sp_15 <->{ku}{kt} sp_18 + V | +Annihilation_8 + V <->{kt}{kt} sp_22 + Annihilation_10 | +Catalysis_6 + sp_7 <->{(kt * c)}{ku} sp_12 + sp_3 | +sp_24 + Catalysis_4 ->{ku} sp_25 + sp_5 | +sp_12 + Catalysis_8 <->{ku}{ku} sp_24 + sp_23 | +sp_27 + Catalysis_5 ->{kt} sp_28 + sp_5 | +Catalysis_7 + sp_23 <->{ku}{kt} sp_27 + sp_26 | +Annihilation + sp_26 <->{kt}{kt} sp_30 + Annihilation_2 | +Catalysis_12 + sp_26 <->{(kt * c)}{ku} sp_29 + sp_23 | +sp_31 + Catalysis_4 ->{ku} sp_32 + sp_5 | +sp_29 + Catalysis_11 <->{ku}{ku} sp_31 + sp_15 | +Catalysis + R <->{(kt * c)}{ku} sp_1 + sp_0 | +sp_33 + Catalysis_5 ->{kt} sp_34 + sp_5 | +Catalysis_1 + sp_0 <->{ku}{kt} sp_33 + R | +sp_2 + R' ->{kt} sp_36 + sp_35 | +Annihilation_5 + R' <->{kt}{kt} sp_39 + Annihilation_7 | +sp_39 + R ->{kt} sp_41 + sp_40 | +sp_43 + Catalysis_4 ->{ku} sp_44 + sp_5 | +sp_38 + Catalysis'_3 <->{ku}{ku} sp_43 + sp_42 | +sp_46 + Catalysis_5 ->{kt} sp_47 + sp_5 | +Degradation' + sp_45 ->{(kt * c)} sp_50 + sp_48 | +sp_14 + sp_45 ->{kt} sp_49 + sp_48 | +Catalysis'_2 + sp_42 <->{ku}{kt} sp_46 + sp_45 | +Annihilation_13 + sp_45 <->{kt}{kt} sp_53 + Annihilation_15 | +sp_53 + sp_7 ->{kt} sp_54 + sp_10 | +Catalysis'_9 + sp_45 <->{(kt * c)}{ku} sp_52 + sp_42 | +sp_56 + Catalysis_4 ->{ku} sp_57 + sp_5 | +sp_52 + Catalysis'_11 <->{ku}{ku} sp_56 + sp_55 | +sp_58 + Catalysis_5 ->{kt} sp_59 + sp_5 | +Degradation'_1 + V' ->{(kt * c)} sp_62 + sp_60 | +sp_22 + V' ->{kt} sp_61 + sp_60 | +Catalysis'_10 + sp_55 <->{ku}{kt} sp_58 + V' | +Annihilation_9 + V' <->{kt}{kt} sp_63 + Annihilation_11 | +sp_63 + V ->{kt} sp_64 + sp_20 | +Catalysis'_6 + sp_45 <->{(kt * c)}{ku} sp_51 + sp_42 | +sp_66 + Catalysis_4 ->{ku} sp_67 + sp_5 | +sp_51 + Catalysis'_8 <->{ku}{ku} sp_66 + sp_65 | +sp_69 + Catalysis_5 ->{kt} sp_70 + sp_5 | +sp_30 + sp_68 ->{kt} sp_72 + sp_71 | +Catalysis'_7 + sp_65 <->{ku}{kt} sp_69 + sp_68 | +Annihilation_1 + sp_68 <->{kt}{kt} sp_74 + Annihilation_3 | +sp_74 + sp_26 ->{kt} sp_76 + sp_75 | +Catalysis'_12 + sp_68 <->{(kt * c)}{ku} sp_73 + sp_65 | +sp_77 + Catalysis_4 ->{ku} sp_78 + sp_5 | +sp_73 + Catalysis'_11 <->{ku}{ku} sp_77 + sp_55 | +Catalysis' + R' <->{(kt * c)}{ku} sp_38 + sp_37 | +sp_79 + Catalysis_5 ->{kt} sp_80 + sp_5 | +Catalysis'_1 + sp_37 <->{ku}{kt} sp_79 + R' | +sp_83 + Catalysis_4 ->{ku} sp_84 + sp_5 | +sp_82 + Catalysis'_3 <->{ku}{ku} sp_83 + sp_42 | +CatalysisInv + Y <->{(kt * c)}{ku} sp_82 + sp_81 | +sp_85 + Catalysis_5 ->{kt} sp_86 + sp_5 | +CatalysisInv_1 + sp_81 <->{ku}{kt} sp_85 + Y | +sp_89 + Catalysis_4 ->{ku} sp_90 + sp_5 | +sp_88 + Catalysis_3 <->{ku}{ku} sp_89 + sp_3 | +CatalysisInv' + Y' <->{(kt * c)}{ku} sp_88 + sp_87 | +sp_91 + Catalysis_5 ->{kt} sp_92 + sp_5 | +CatalysisInv'_1 + sp_87 <->{ku}{kt} sp_91 + Y' diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain_simulation/deterministic.tsv new file mode 100644 index 0000000..940f3ff --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain_simulation/deterministic.tsv @@ -0,0 +1,1012 @@ +Time (R - R') (V - V') (Y - Y') (L - L') +0 4 0 0 0 +149.991281074893 2.00318738691195 0.00351721523415901 0.00616432483979015 0 +300.073347843495 2.00318738690376 0.0138042629251818 0.0258619066306527 0 +450.157083667831 2.00318738693394 0.030398058897807 0.0582358472772522 0 +600.230592060796 2.00318738693465 0.0528161777413604 0.102323434093394 0 +750.315012917562 2.00318738686202 0.0805680905935329 0.157145004981849 0 +900.4113568066 2.00318738685599 0.113152503079802 0.221698927844795 0 +1050.52067093515 2.00318738688442 0.15006318928221 0.294973180778915 0 +1200.53436880785 2.00318738686918 0.190761782911407 0.375891287852687 0 +1350.56319540209 2.00318738685274 0.234769966268756 0.463495652330884 0 +1500.60449977316 2.00318738683268 0.281588597607039 0.556787024489496 0 +1650.63567390003 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newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.crn new file mode 100644 index 0000000..03c047e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.crn @@ -0,0 +1,115 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init Annihilation_15 Cmax | +init Annihilation_14 Cmax | +init Annihilation_13 Cmax | +init Annihilation_12 Cmax | +init Annihilation_11 Cmax | +init Annihilation_10 Cmax | +init Annihilation_9 Cmax | +init Annihilation_8 Cmax | +init Annihilation_7 Cmax | +init Annihilation_6 Cmax | +init Annihilation_5 Cmax | +init Annihilation_4 Cmax | +init Annihilation_3 Cmax | +init Annihilation_2 Cmax | +init Annihilation_1 Cmax | +init Annihilation Cmax | +init Catalysis_7 Cmax | +init Catalysis_6 Cmax | +init Catalysis_5 Cmax | +init Catalysis_4 Cmax | +init Catalysis_3 Cmax | +init Catalysis_2 Cmax | +init Catalysis_1 Cmax | +init Catalysis Cmax | +init Catalysis'_7 Cmax | +init Catalysis'_6 Cmax | +init Catalysis'_5 Cmax | +init Catalysis'_4 Cmax | +init Catalysis'_3 Cmax | +init Catalysis'_2 Cmax | +init Catalysis'_1 Cmax | +init Catalysis' Cmax | +init CatalysisInv_1 Cmax | +init CatalysisInv Cmax | +init CatalysisInv'_1 Cmax | +init CatalysisInv' Cmax | +init Degradation_1 Cmax | +init Degradation Cmax | +init Degradation'_1 Cmax | +init Degradation' Cmax | +init R x0 | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +Catalysis + R ->{(kt * c)} sp_1 + sp_0 | +Annihilation_4 + R <->{kt}{kt} sp_2 + Annihilation_5 | +Catalysis_1 + sp_0 ->{kt} sp_4 + sp_3 + R | +Catalysis_4 + sp_3 ->{(kt * c)} sp_6 + sp_8 | +Catalysis_2 + sp_3 ->{(kt * c)} sp_6 + sp_7 | +Degradation + sp_3 ->{(kt * c)} sp_6 + sp_5 | +Annihilation_12 + sp_3 <->{kt}{kt} sp_9 + Annihilation_13 | +Catalysis_5 + sp_8 ->{kt} sp_10 + V + sp_3 | +Degradation_1 + V ->{(kt * c)} sp_12 + sp_11 | +Annihilation_8 + V <->{kt}{kt} sp_13 + Annihilation_9 | +Catalysis_3 + sp_7 ->{kt} sp_15 + sp_14 + sp_3 | +Catalysis_6 + sp_14 ->{(kt * c)} sp_17 + sp_16 | +Annihilation + sp_14 <->{kt}{kt} sp_18 + Annihilation_1 | +Catalysis_7 + sp_16 ->{kt} sp_19 + V + sp_14 | +Catalysis' + R' ->{(kt * c)} sp_23 + sp_22 | +sp_2 + R' ->{kt} sp_21 + sp_20 | +Annihilation_6 + R' <->{kt}{kt} sp_24 + Annihilation_7 | +sp_24 + R ->{kt} sp_26 + sp_25 | +Catalysis'_1 + sp_22 ->{kt} sp_28 + sp_27 + R' | +Catalysis'_4 + sp_27 ->{(kt * c)} sp_31 + sp_33 | +Catalysis'_2 + sp_27 ->{(kt * c)} sp_31 + sp_32 | +Degradation' + sp_27 ->{(kt * c)} sp_31 + sp_29 | +sp_9 + sp_27 ->{kt} sp_30 + sp_29 | +Annihilation_14 + sp_27 <->{kt}{kt} sp_34 + Annihilation_15 | +sp_34 + sp_3 ->{kt} sp_35 + sp_5 | +Catalysis'_5 + sp_33 ->{kt} sp_36 + V' + sp_27 | +Degradation'_1 + V' ->{(kt * c)} sp_39 + sp_37 | +sp_13 + V' ->{kt} sp_38 + sp_37 | +Annihilation_10 + V' <->{kt}{kt} sp_40 + Annihilation_11 | +sp_40 + V ->{kt} sp_41 + sp_11 | +Catalysis'_3 + sp_32 ->{kt} sp_43 + sp_42 + sp_27 | +Catalysis'_6 + sp_42 ->{(kt * c)} sp_47 + sp_46 | +sp_18 + sp_42 ->{kt} sp_45 + sp_44 | +Annihilation_2 + sp_42 <->{kt}{kt} sp_48 + Annihilation_3 | +sp_48 + sp_14 ->{kt} sp_50 + sp_49 | +Catalysis'_7 + sp_46 ->{kt} sp_51 + V' + sp_42 | +CatalysisInv + Y ->{(kt * c)} sp_53 + sp_52 | +CatalysisInv_1 + sp_52 ->{kt} sp_54 + sp_27 + Y | +CatalysisInv' + Y' ->{(kt * c)} sp_56 + sp_55 | +CatalysisInv'_1 + sp_55 ->{kt} sp_57 + sp_3 + Y' diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain_simulation/deterministic.tsv new file mode 100644 index 0000000..146516e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain_simulation/deterministic.tsv @@ -0,0 +1,1009 @@ +Time (R - R') (V - V') (Y - Y') (L - L') +0 4 0 0 0 +149.534502824231 2.00318628424186 0.00348324252090625 0.00610101073832832 0 +300.007427314348 2.00318615592739 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2.0114715229028 1.02924762489708 2.05849006109046 0 +149700 2.01147152290317 1.02928934269678 2.05857343418873 0 +149850 2.01147152290354 1.02933129491965 2.05865727369325 0 +150000 2.01147152290392 1.02937331972604 2.05874125397334 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.crn new file mode 100644 index 0000000..f62e703 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.crn @@ -0,0 +1,53 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init R x0 | +R ->{cat} R + sp9 | +R' ->{cat} R' + sp10 | +Y ->{cat} Y + sp10 | +Y' ->{cat} Y' + sp9 | +sp9 ->{deg} | +sp10 ->{deg} | +sp9 ->{cat} sp9 + sp11 | +sp10 ->{cat} sp10 + sp12 | +sp9 ->{cat} sp9 + V | +sp10 ->{cat} sp10 + V' | +sp11 ->{cat} sp11 + V | +sp12 ->{cat} sp12 + V' | +V ->{deg} | +V' ->{deg} | +sp11 + sp12 ->{ann} | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +R + R' ->{ann} | +V + V' ->{ann} | +sp9 + sp10 ->{ann} diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN_simulation/deterministic.tsv new file mode 100644 index 0000000..0f16738 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN_simulation/deterministic.tsv @@ -0,0 +1,1006 @@ +Time (R - R') (V - V') (Y - Y') (L - L') +0 4 0 0 0 +143.694674027895 4 0.0254023233141019 0.0443350467231864 0 +301.2999073742 4 0.106501127146217 0.199917710523718 0 +452.975067157084 4 0.229038685622012 0.439723475639756 0 +604.170328922062 4 0.386270598387311 0.750030511597647 0 +756.629561540782 4 0.571892934886054 1.11818299718481 0 +909.481768402134 4 0.777004438910702 1.52637552522988 0 +1060.28230868288 4 0.990292362876657 1.95193506555987 0 +1210.55270044207 4 1.2065895721415 2.38441021912909 0 +1361.02986329972 4 1.42062193989865 2.81315267836645 0 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4.00000000000001 2.0000041563057 4.00000825917448 0 +149400 4.00000000000001 2.00000447953521 4.00000892530833 0 +149550 4.00000000000001 2.00000491473834 4.00000981295318 0 +149700 4.00000000000001 2.00000529039932 4.00001058144235 0 +149850 4.00000000000001 2.00000557270653 4.00001116319366 0 +150000 4.00000000000001 2.00000575038045 4.00001153528152 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.crn new file mode 100644 index 0000000..d48bad6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.crn @@ -0,0 +1,124 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init R x0 | +init TemplateOff_3 Cmax | +init TemplateOff_2 Cmax | +init TemplateOff_1 Cmax | +init TemplateOff Cmax | +init TemplateOffInv_2 Cmax | +init TemplateOffInv_1 Cmax | +init TemplateOffInv Cmax | +init TemplateOff'_3 Cmax | +init TemplateOff'_2 Cmax | +init TemplateOff'_1 Cmax | +init TemplateOff' Cmax | +init TemplateOffInv'_2 Cmax | +init TemplateOffInv'_1 Cmax | +init TemplateOffInv' Cmax | +Template ->{pol} TemplateDS + sp_1 | +TemplateDS ->{nick} Template | +sp_3 ->{pol} sp_32 + sp_18 | +sp_32 ->{nick} sp_3 | +TemplateInv ->{pol} TemplateDSInv + sp_18 | +TemplateDSInv ->{nick} TemplateInv | +sp_7 ->{pol} sp_30 + sp_1 | +sp_30 ->{nick} sp_7 | +TemplateInv_1 ->{pol} TemplateDSInv_1 + sp_18 | +TemplateDSInv_1 ->{nick} TemplateInv_1 | +sp_19 ->{pol} sp_28 + sp_1 | +sp_28 ->{nick} sp_19 | +Template_1 ->{pol} TemplateDS_1 + sp_0 | +TemplateDS_1 ->{nick} Template_1 | +sp_20 ->{pol} sp_26 + sp_13 | +sp_26 ->{nick} sp_20 | +Template_2 ->{pol} TemplateDS_2 + V | +TemplateDS_2 ->{nick} Template_2 | +sp_21 ->{pol} sp_17 + V' | +sp_17 ->{nick} sp_21 | +Template_3 ->{pol} TemplateDS_3 + V | +TemplateDS_3 ->{nick} Template_3 | +sp_14 ->{pol} sp_12 + V' | +sp_12 ->{nick} sp_14 | +TemplateInv_2 ->{pol} TemplateDSInv_2 + V' | +TemplateDSInv_2 ->{nick} TemplateInv_2 | +sp_4 ->{pol} sp_10 + V | +sp_10 ->{nick} sp_4 | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +R' + R ->{ann} Ann_1 | +Template_3 <->{unbind}{bind} TemplateOff_3 + sp_0 | +Template_2 <->{unbind}{bind} TemplateOff_2 + sp_1 | +Template_1 <->{unbind}{bind} TemplateOff_1 + sp_1 | +Template + R' ->{bind} Ann_1 + TemplateOff | +Template <->{unbind}{bind} TemplateOff + R | +TemplateDS + R' <->{bind}{unbind} sp_2 | +TemplateInv_2 <->{unbind}{bind} TemplateOffInv_2 + V | +TemplateInv_1 <->{unbind}{bind} TemplateOffInv_1 + sp_1 | +TemplateInv <->{unbind}{bind} TemplateOffInv + Y | +TemplateOff' + R' <->{bind}{unbind} sp_3 | +sp_3 + R ->{bind} Ann_1 + TemplateOff' | +TemplateInv_2 + V' ->{bind} Ann_2 + TemplateOffInv_2 | +V' + V ->{ann} Ann_2 | +TemplateDSInv_2 + V' <->{bind}{unbind} sp_5 | +TemplateOffInv'_2 + V' <->{bind}{unbind} sp_4 | +sp_4 + V ->{bind} Ann_2 + TemplateOffInv'_2 | +TemplateInv + Y' ->{bind} sp_6 + TemplateOffInv | +Y' + Y ->{ann} sp_6 | +TemplateDSInv + Y' <->{bind}{unbind} sp_8 | +TemplateOffInv' + Y' <->{bind}{unbind} sp_7 | +sp_7 + Y ->{bind} sp_6 + TemplateOffInv' | +sp_10 + V <->{bind}{unbind} sp_9 | +sp_12 + sp_0 <->{bind}{unbind} sp_11 | +sp_14 + sp_0 ->{bind} Ann + TemplateOff'_3 | +Template_3 + sp_13 ->{bind} Ann + TemplateOff_3 | +sp_14 <->{unbind}{bind} TemplateOff'_3 + sp_13 | +sp_13 + sp_0 ->{ann} Ann | +TemplateDS_3 + sp_13 <->{bind}{unbind} sp_15 | +sp_17 + sp_1 <->{bind}{unbind} sp_16 | +sp_21 + sp_1 ->{bind} Ann_3 + TemplateOff'_2 | +Template_2 + sp_18 ->{bind} Ann_3 + TemplateOff_2 | +Template_1 + sp_18 ->{bind} Ann_3 + TemplateOff_1 | +TemplateInv_1 + sp_18 ->{bind} Ann_3 + TemplateOffInv_1 | +sp_21 <->{unbind}{bind} TemplateOff'_2 + sp_18 | +sp_18 + sp_1 ->{ann} Ann_3 | +TemplateDS_2 + sp_18 <->{bind}{unbind} sp_24 | +TemplateDS_1 + sp_18 <->{bind}{unbind} sp_23 | +TemplateDSInv_1 + sp_18 <->{bind}{unbind} sp_22 | +TemplateOff'_1 + sp_18 <->{bind}{unbind} sp_20 | +sp_20 + sp_1 ->{bind} Ann_3 + TemplateOff'_1 | +TemplateOffInv'_1 + sp_18 <->{bind}{unbind} sp_19 | +sp_19 + sp_1 ->{bind} Ann_3 + TemplateOffInv'_1 | +sp_26 + sp_1 <->{bind}{unbind} sp_25 | +sp_28 + sp_1 <->{bind}{unbind} sp_27 | +sp_30 + Y <->{bind}{unbind} sp_29 | +sp_32 + R <->{bind}{unbind} sp_31 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes_simulation/deterministic.tsv new file mode 100644 index 0000000..0d1135e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes_simulation/deterministic.tsv @@ -0,0 +1,1006 @@ +Time (R - R') (V - V') (Y - Y') (L - L') +0 4 0 0 0 +146.646806778256 3.67347172751973 0.0139920079049756 0.0239050263496196 0 +298.406987878295 3.652391955899 0.0624651737566767 0.116039744762449 0 +450.7064973747 3.65026667281661 0.142394071159313 0.271633231621842 0 +603.285796059917 3.65005423190618 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a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.crn new file mode 100644 index 0000000..3c75644 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.crn @@ -0,0 +1,106 @@ +directive sample 0.0,150000.0 1000 +directive plot (R - R'); (V - V'); (Y - Y'); (L - L') +directive simulation deterministicstiff +directive reltolerance 1e-5 +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 + ; ann = 0.01 + ; bind = 5.4E-06 + ; bind2 = 0.001 + ; bind1 = 5E-05 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +event R (2.0 * x0) @ 100000.0 | +event R' (2.0 * x0) @ 50000.0 | +init R x0 | +init Rev_3 Cmax | +init Rev_2 (2.0 * Cmax) | +init Rev_1 Cmax | +init Rev Cmax | +init Rev'_3 Cmax | +init Rev'_2 (2.0 * Cmax) | +init Rev'_1 Cmax | +init Rev' Cmax | +init TemplateOff_3 Cmax | +init TemplateOff_2 Cmax | +init TemplateOff_1 Cmax | +init TemplateOff Cmax | +init TemplateOff'_3 Cmax | +init TemplateOff'_2 Cmax | +init TemplateOff'_1 Cmax | +init TemplateOff' Cmax | +init TemplateOffInv Cmax | +init TemplateOffInv' Cmax | +init Transducer_3 Cmax | +init Transducer_2 (2.0 * Cmax) | +init Transducer_1 Cmax | +init Transducer Cmax | +init TransducerRev Cmax | +init Transducer'_3 Cmax | +init Transducer'_2 (2.0 * Cmax) | +init Transducer'_1 Cmax | +init Transducer' Cmax | +init TransducerRev' Cmax | +init TransducerRev_3 Cmax | +init TransducerRev_2 (2.0 * Cmax) | +init TransducerRev_1 Cmax | +init TransducerRev'_3 Cmax | +init TransducerRev'_2 (2.0 * Cmax) | +init TransducerRev'_1 Cmax | +Template ->{pol} Template + sp_3 | +sp_1 ->{pol} sp_1 + sp_13 | +sp_5 ->{pol} sp_5 + sp_13 | +sp_8 ->{pol} sp_8 + sp_3 | +sp_3 ->{deg} | +sp_13 ->{deg} | +Template_1 ->{pol} Template_1 + sp_2 | +sp_14 ->{pol} sp_14 + sp_10 | +Template_2 ->{pol} Template_2 + V | +sp_15 ->{pol} sp_15 + V' | +Template_3 ->{pol} Template_3 + V | +sp_11 ->{pol} sp_11 + V' | +V ->{deg} | +V' ->{deg} | +V ->{0.2} V + Y | +V' ->{0.2} V' + Y' | +Y ->{0.1} | +Y' ->{0.1} | +Y' + Y ->{0.1} | +L + Y ->{0.01} L | +L' + Y' ->{0.01} L' | +L + L' ->{1.0} | +R' + R ->{ann} Ann_1 | +Template_3 + Rev_3 <->{bind2}{bind2} TemplateOff_3 + Fwd_2 | +Template_2 + Rev_2 <->{bind2}{bind2} TemplateOff_2 + Fwd_1 | +Template_1 + Rev_2 <->{bind2}{bind2} TemplateOff_1 + Fwd_1 | +Template + Rev <->{bind2}{bind2} TemplateOff + Fwd | +Transducer + R <->{bind1}{bind2} TransducerRev + Fwd | +Transducer' + R' <->{bind1}{bind2} TransducerRev' + sp_0 | +TemplateOff' + sp_0 <->{bind2}{bind2} sp_1 + Rev' | +TransducerRev_3 + Fwd_2 <->{bind2}{bind1} Transducer_3 + sp_2 | +TransducerRev_2 + Fwd_1 <->{bind2}{bind1} Transducer_2 + sp_3 | +V' + V ->{ann} Ann_2 | +Transducer_1 + Y <->{bind1}{bind2} TransducerRev_1 + sp_4 | +TemplateOffInv + sp_4 <->{bind2}{bind2} sp_5 + Rev_1 | +Y' + Y ->{ann} sp_6 | +Transducer'_1 + Y' <->{bind1}{bind2} TransducerRev'_1 + sp_7 | +TemplateOffInv' + sp_7 <->{bind2}{bind2} sp_8 + Rev'_1 | +sp_11 + Rev'_3 <->{bind2}{bind2} TemplateOff'_3 + sp_9 | +TransducerRev'_3 + sp_9 <->{bind2}{bind1} Transducer'_3 + sp_10 | +sp_10 + sp_2 ->{ann} Ann | +sp_15 + Rev'_2 <->{bind2}{bind2} TemplateOff'_2 + sp_12 | +TemplateOff'_1 + sp_12 <->{bind2}{bind2} sp_14 + Rev'_2 | +TransducerRev'_2 + sp_12 <->{bind2}{bind1} Transducer'_2 + sp_13 | +sp_13 + sp_3 ->{ann} Ann_3 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes_simulation/deterministic.tsv new file mode 100644 index 0000000..ac27b2f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes_simulation/deterministic.tsv @@ -0,0 +1,1012 @@ +Time (R - R') (V - V') (Y - Y') (L - L') +0 4 0 0 0 +149.980093210768 3.63666378632766 0.0117666519839807 0.0203070317106885 0 +300.123820790076 3.63666378632766 0.046543499646755 0.0866709138163856 0 +450.266187415831 3.63666378632766 0.101402719516511 0.193628653544149 0 +600.407336520806 3.63666378632766 0.173448393065216 0.335379361749347 0 +750.547441465828 3.63666378632766 0.259865240449693 0.506278758505301 0 +900.686681998891 3.63666378632766 0.357947711367582 0.700898041956381 0 +1050.82522965527 3.63666378632766 0.465124480493242 0.914073543113269 0 +1200.96324492398 3.63666378632766 0.578978524791735 1.140947517219 0 +1351.10157225468 3.63666378632766 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1.81827740688536 3.63655482960942 0 +148500 3.63654435315075 1.8182773869964 3.63655478950071 0 +148650 3.63654435315075 1.81827736710745 3.63655474939201 0 +148800 3.63654435315075 1.8182773472185 3.63655470928331 0 +148950 3.63654435315075 1.81827732732954 3.63655466917461 0 +149100 3.63654435315075 1.81827730744059 3.6365546290659 0 +149250 3.63654435315075 1.81827728755164 3.6365545889572 0 +149400 3.63654435315075 1.81827726766268 3.6365545488485 0 +149550 3.63654435315075 1.81827724777373 3.6365545087398 0 +149700 3.63654435315075 1.81827722788478 3.63655446863109 0 +149850 3.63654435315075 1.81827720799582 3.63655442852239 0 +150000 3.63654435315075 1.81827718810687 3.63655438841369 0 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - And Gate.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - And Gate.crn new file mode 100644 index 0000000..ad94090 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - And Gate.crn @@ -0,0 +1,37 @@ +directive plot sp_15; Gate +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init AndGate_1 10.0 | +init AndGate 10.0 | +init FuelOne 10.0 | +init FuelTwo 10.0 | +init Gate 10.0 | +Gate + AndGate_1 <->{0.00065}{0.004} sp_1 | +sp_4 + FuelTwo ->{0.00042} sp_6 + sp_5 | +sp_4 + AndGate <->{0.0003}{0.1126} sp_7 | +sp_7 + FuelTwo ->{0.00042} sp_6 + sp_8 | +sp_10 + FuelOne ->{0.0003} sp_13 + sp_12 | +sp_10 + FuelTwo ->{0.00042} sp_6 + sp_11 | +sp_13 <->{0.1126}{0.0003} sp_14 + AndGate | +sp_12 + FuelTwo ->{0.00042} sp_6 + sp_15 | +sp_6 <->{0.004}{0.00065} sp_16 + AndGate_1 | +sp_11 + FuelOne ->{0.0003} sp_13 + sp_15 | +sp_7 <->{0.1126}{0.0003} sp_10 + sp_9 | +sp_11 + sp_9 <->{0.0003}{0.1126} sp_8 | +sp_8 <->{0.1126}{0.0003} sp_5 + AndGate | +sp_1 <->{0.04}{0.00042} sp_4 + sp_3 | +sp_1 + AndGate <->{0.0003}{0.1126} sp_2 | +sp_7 + sp_3 <->{0.00042}{0.04} sp_2 | +sp_10 + sp_3 <->{0.00042}{0.04} sp_18 | +sp_18 + FuelOne ->{0.0003} sp_13 + sp_17 | +sp_2 <->{0.1126}{0.0003} sp_18 + sp_9 | +sp_18 <->{0.004}{0.00065} sp_19 + AndGate_1 | +sp_19 + FuelOne ->{0.0003} sp_13 + sp_20 | +sp_12 + sp_3 <->{0.00042}{0.04} sp_17 | +sp_20 + AndGate_1 <->{0.00065}{0.004} sp_17 | +Gate + AndGate <->{0.0003}{0.1126} sp_0 | +sp_19 + sp_9 <->{0.0003}{0.1126} sp_0 | +sp_2 <->{0.004}{0.00065} sp_0 + AndGate_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - And Gate_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - And Gate_simulation/deterministic.tsv new file mode 100644 index 0000000..7eda0d9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - And Gate_simulation/deterministic.tsv @@ -0,0 +1,288 @@ +Time sp_15 Gate +0 0 10 +0.918314604164379 1.76239834692192E-13 9.91477828989987 +1.9439592728439 1.4523925319096E-11 9.82386235195992 +3.06494101977187 2.05654555687435E-10 9.72883255372977 +4.07316813965175 1.05786259944457E-09 9.64663635786654 +5.30940077950876 4.78069052257838E-09 9.54944163948269 +6.68021316291426 1.73815498873941E-08 9.44560026338764 +7.76862905218236 4.02261542720436E-08 9.36568585001134 +9.03158590844822 9.20826473013581E-08 9.27541532059434 +10.3753978629967 1.9584295084068E-07 9.18194181435195 +11.8000649158277 3.91256860162339E-07 9.0854381192635 +13.4563294823025 7.86661176137922E-07 8.9762599885987 +15.3441915624211 1.56716090566434E-06 8.85539088137498 +16.2881226024803 2.13759973149373E-06 8.79627372740587 +17.3534435117566 2.96522859736105E-06 8.7305488092736 +18.4187644210328 4.02552530868452E-06 8.665835161508 +19.4840853303091 5.36170023109836E-06 8.60209383181177 +20.5494062395854 7.0214073708767E-06 8.53928571790186 +21.8764956090489 9.61996046047046E-06 8.46230407885728 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0.329066119155994 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic.crn new file mode 100644 index 0000000..0aac97a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic.crn @@ -0,0 +1,29 @@ +directive sample 0.0,1000.0 100 +directive plot Fuel; Autocatalyst; sp_12 +directive scale 500.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Autocatalyst 100.0 | +init FluorescingAutocatalytic 100.0 | +init Fuel 100.0 | +init Substrate 100.0 | +FluorescingAutocatalytic + Autocatalyst ->{0.0006} sp_0 | +FluorescingAutocatalytic + Fuel ->{0.0006} sp_1 | +Substrate + Autocatalyst <->{0.0003}{0.1126} sp_4 | +sp_7 + Fuel ->{0.00042} sp_9 + Autocatalyst | +sp_9 <->{0.1126}{0.0003} sp_10 + Autocatalyst | +sp_10 + Fuel <->{0.0003}{0.1126} sp_11 | +sp_7 + FluorescingAutocatalytic <->{0.0003}{0.1126} sp_8 | +sp_8 + Fuel ->{0.00042} sp_0 + sp_9 | +FluorescingAutocatalytic + sp_6 ->{0.0006} sp_13 + sp_12 | +sp_4 <->{0.04}{0.00042} sp_7 + sp_6 | +sp_4 + FluorescingAutocatalytic <->{0.0003}{0.1126} sp_5 | +sp_8 + sp_6 <->{0.00042}{0.04} sp_5 | +Substrate + FluorescingAutocatalytic <->{0.0003}{0.1126} sp_2 | +sp_5 <->{0.1126}{0.0003} sp_2 + Autocatalyst | +sp_2 + Fuel <->{0.0003}{0.1126} sp_14 | +Substrate + Fuel <->{0.0003}{0.1126} sp_3 | +sp_14 <->{0.1126}{0.0003} FluorescingAutocatalytic + sp_3 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/deterministic.tsv new file mode 100644 index 0000000..6308a61 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/deterministic.tsv @@ -0,0 +1,93 @@ +Time Fuel Autocatalyst sp_12 +0 100 100 0 +9.98402668516226 61.3110354227927 61.0556267790983 0.272221239438463 +19.9308202566238 51.4935756614737 50.8979284107035 0.855166350877901 +30.9111168333522 46.2875376161619 46.075066926981 1.4955996469234 +41.8325605752638 42.9259544242983 43.8898755379819 2.02870061728609 +52.1971058365265 40.4996460878067 43.0789870019979 2.42600692441235 +63.5595422396318 38.32006705257 43.0102630853728 2.75322789454778 +73.7105682574129 36.6376766474615 43.3913298100478 2.96710901376767 +84.1564569077724 35.0772768177006 44.0518250992864 3.12697389258684 +94.8351519040418 33.6062076980939 44.9013979044013 3.24250756203802 +105.688823202374 32.2040314900612 45.872434851231 3.32350630645529 +116.643490335107 30.86155442555 46.9130262190393 3.37868600264746 +127.646179031835 29.5731819934385 47.9863589772431 3.41539943332194 +138.663249982436 28.3353185177696 49.0675314934867 3.43936033619176 +149.673260930579 27.145725076007 50.1401033347291 3.4547472856242 +160.658556308882 26.0033434231115 51.1930527495209 3.46449001971024 +171.723559868062 24.8959246785522 52.2301515201142 3.47063526322089 +183.078630236369 23.8033642482634 53.2658322371699 3.47450879528126 +193.298145295746 22.8572403355922 54.1710222279428 3.47666150920332 +204.265677517243 21.8802402702875 55.1127829638657 3.47809138495116 +216.097963732811 20.8698000813567 56.0935452108815 3.47900315218394 +226.554134423091 20.013652800172 56.9295615544871 3.47947839390998 +237.777548002196 19.1320883692885 57.7949909749496 3.47978235336304 +250.128455372864 18.2054367463141 58.7095779940024 3.4799713404254 +260.185362949191 17.4835114129371 59.4255397933388 3.48005937261232 +270.859583932654 16.7482605756918 60.1577488728145 3.48011510060122 +282.081183258607 16.0085768651877 60.8975549652204 3.48014877740692 +293.780225862403 15.2724056316643 61.6370359800425 3.48016831226427 +305.738328714495 14.5553738358544 62.3602845062713 3.48017913107858 +317.523822385006 13.8822827129879 63.0418944726631 3.48018485768713 +329.097345730797 13.2523617409091 63.682292085076 3.48018788126476 +340.419537608731 12.6646108585924 64.2819585228095 3.48018948415078 +351.684145280938 12.1065885675177 64.853193328943 3.48019035121959 +363.126516815721 11.5658536163119 65.4084950171591 3.48019082706322 +374.724553455451 11.0433844856285 65.9467722858592 3.48019108350252 +386.456156442501 10.539915474183 66.467074747338 3.48019121986551 +398.057114502708 10.0656204009063 66.9586359009163 3.48019129029742 +409.491568035405 9.61997372761927 67.421751307602 3.48019132666342 +420.827632017341 9.19855405711855 67.8608552567553 3.48019134570328 +432.133421425264 8.79752496098953 68.2797489541617 3.48019135574834 +443.61936395169 8.40886898568155 68.6866685155814 3.48019136106171 +455.198804533753 8.03527156178145 69.078696880968 3.48019136374895 +466.796795965332 7.67852734951236 69.4538834540819 3.4801913651853 +478.338391040306 7.3400099396918 69.8106478322315 3.48019136596864 +489.706996506325 7.02186937120853 70.1465874033243 3.48019136634243 +501.051843179295 6.71880407891662 70.4671922749477 3.48019136646144 +512.425543388668 6.4287276816846 70.7746139158837 3.48019136657392 +523.880709463893 6.14983032965205 71.070694772847 3.48019136666725 +535.434306158855 5.88136246413738 71.3561629632398 3.48019136669972 +546.951332056622 5.6259444890191 71.6281698414523 3.48019136664886 +558.410158986664 5.38332429439768 71.8869410886619 3.4801913666698 +569.789158778451 5.15320829879528 72.1327221964724 3.480191366713 +581.140572988455 4.93387673623796 72.3672928036357 3.48019136671922 +592.547146656254 4.72328117180958 72.592801186225 3.48019136667005 +604.004324391062 4.52117570340808 72.8094887852342 3.48019136667974 +615.507550802095 4.32731012233886 73.0175866189447 3.48019136671325 +626.975225901012 4.1426451253619 73.2160261094599 3.48019136671812 +638.387683985059 3.96699427955677 73.4049747377534 3.48019136667284 +649.765496110065 3.79956892904203 73.5852609900825 3.48019136668335 +661.12923333186 3.6396609295773 73.757618448268 3.48019136671083 +672.54888832001 3.485985188424 73.9234081493049 3.48019136671445 +684.000838752909 3.3386145483286 74.0825322673511 3.48019136667724 +695.46126800078 3.19758012163226 74.23494602959 3.48019136668459 +706.906359433848 3.06287283228003 74.380639523754 3.48019136670909 +718.294190708406 2.93464893912241 74.5194250662756 3.48019136671223 +729.671350698599 2.81206847439664 74.6521966397156 3.4801913666806 +741.055748476091 2.69468608298826 74.7794283549509 3.48019136668734 +752.465293112545 2.58210040804444 74.9015423988806 3.48019136670718 +763.908783098407 2.47403464415703 75.0188274269536 3.48019136670996 +775.342368966951 2.37069960883228 75.1310448124386 3.48019136668263 +786.757813279249 2.27194548294535 75.2383513822942 3.4801913666885 +798.14687859637 2.17762123453237 75.3409014942849 3.48019136670583 +809.523903277183 2.08740060856653 75.4390411746922 3.48019136670803 +820.917858708645 2.00087883068154 75.5332038450419 3.48019136668544 +832.328199955164 1.91790723784463 75.6235475975299 3.48019136669003 +843.754382081149 1.83834279841248 75.7102218684524 3.48019136670459 +855.170998102357 1.76221038569259 75.7931936326093 3.48019136670658 +866.569392257452 1.68940820678132 75.8725688388839 3.48019136668701 +877.955676576686 1.6197446719194 75.9485535322707 3.48019136669127 +889.335963090312 1.55304194378049 76.0213370649142 3.48019136670353 +900.733314130655 1.48904187151424 76.0911970311299 3.48019136670515 +912.141740515171 1.4276667215208 76.1582149627002 3.48019136668876 +923.553658304381 1.36884614314677 76.2224658358518 3.48019136669214 +934.961483558809 1.31250790896843 76.2840253248798 3.48019136670269 +946.350434199063 1.25861187730077 76.3429343046842 3.48019136670408 +957.734928871065 1.20698188937808 76.3993828739022 3.48019136669016 +969.12100960993 1.15749365069874 76.453505595202 3.48019136669311 +980.514718450772 1.11003157402949 76.5054266478988 3.48019136670192 +991.920027765788 1.06449629321792 76.5552527034951 3.48019136670312 +999.522259380713 1.03520051747953 76.587315540391 3.48019136669352 +999.9999999 1.03339817344184 76.589288365927 3.48019136669324 +1000 1.03339817344184 76.589288365927 3.48019136669324 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..36dff56 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/deterministicstiff.tsv @@ -0,0 +1,38 @@ +Time Fuel Autocatalyst sp_12 +0 100 100 0 +9.64932938403532 61.8447690743311 61.6055269522293 0.255049273030771 +18.803944604633 52.2306330664273 51.6467219449745 0.785897415853535 +29.394821265653 46.8589149771839 46.5402312394823 1.4121247328897 +40.2900651243221 43.3375768777756 44.0968419966591 1.96022228434667 +51.666969848694 40.6114847234097 43.0992233767733 2.40761688072015 +61.0662517863308 38.7670952983031 42.9718848994826 2.68967756157741 +72.2107546832382 36.8746831322355 43.3161355738507 2.93920214307916 +85.6956031884962 34.858063876574 44.1645122008587 3.14595093917915 +102.012269879858 32.6695170198352 45.5339795699799 3.2989560986365 +111.413777830596 31.494385349597 46.4113242406932 3.35460382444448 +121.739323834396 30.2585839624443 47.4092597298278 3.39730067167161 +132.085353195055 29.0691854110077 48.4232334395002 3.42626870242845 +143.465985491779 27.8114325220776 49.5376777333459 3.4471192050299 +155.984681018176 26.4846187525216 50.747793767488 3.46126815913136 +169.755246097212 25.0901274167597 52.047261085813 3.47025239081546 +184.902867684152 23.6319448835316 53.4285081716696 3.47550924443652 +201.565251429786 22.1167995594259 54.8826465784572 3.47823024420723 +219.893873549984 20.5544595930434 56.399755170383 3.47924063396287 +240.055357882201 18.957079065945 57.9669471893202 3.47945406639202 +262.23299064764 17.3392785527151 59.5688553227399 3.47959726952939 +286.628386689623 15.7176421046148 61.1890440244926 3.47982479585392 +313.463322335804 14.1101176799679 62.810103961812 3.47994094089562 +342.981751546603 12.5352958820892 64.4133055566604 3.47984108033205 +375.452023678482 11.0115192242875 65.97909452376 3.47965491291678 +411.169323023549 9.55629340029907 67.4876775156017 3.47962665549451 +450.458352303123 8.18568015064726 68.9203253219564 3.47976282035558 +493.676284510654 6.91355652809831 70.2605293820325 3.47982787737981 +541.216009938938 5.75088086205875 71.4945514329085 3.47971789909554 +593.509707910051 4.70515514059796 72.611864484746 3.47957475525076 +651.032775678275 3.7803661081752 73.6055563291809 3.4795505731883 +714.308150223321 2.97723357023435 74.4726736811763 3.47961480552531 +783.911062222872 2.29351568517281 75.2140472884005 3.47965542485625 +860.474265422378 1.72495844931625 75.83309585659 3.47963607873699 +934.637996094604 1.31199319791913 76.2841451233053 3.47962809142429 +999.9999999 1.04047036644018 76.5811951253748 3.47963810667132 +1000 1.04047036644018 76.5811951253748 3.47963810667132 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/lna.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/lna.tsv new file mode 100644 index 0000000..179d0b7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/lna.tsv @@ -0,0 +1,91 @@ +Time Fuel (Mean) Autocatalyst (Mean) sp_12 (Mean) Fuel (Std) Autocatalyst (Std) sp_12 (Std) +0 100 100 0 0 0 0 +0.00829187396351575 99.9254496484365 99.9254496481103 6.83001856641128E-10 0.0122036000855041 0.0122036001121879 1.16876162172797E-06 +10.1626841644916 61.0320313482208 60.767958668732 0.281427502126021 0.19589745410263 0.196270691548463 0.0236357612787561 +20.7864328023381 50.9677789933215 50.3692669714688 0.907421864625155 0.194844475592853 0.196441016003855 0.0420783978348859 +31.9077673884308 45.929693114479 45.7953107231301 1.54909245513662 0.191767891201833 0.196005626311343 0.0544561006948181 +42.2184882492424 42.8251774832364 43.8419332511707 2.04535332695285 0.190085680802422 0.19760330882026 0.0620725092713058 +52.7689666022529 40.3799843860044 43.0585382280397 2.44502344435716 0.189436790111543 0.200601170624018 0.0673899562222768 +63.1735339227081 38.3882294527642 43.0026494571631 2.74374796802933 0.189530066910176 0.204232304940778 0.0709784627942836 +75.2662183435384 36.3958772441524 43.4754230290623 2.99441000005004 0.190163920370613 0.208687466991155 0.0737565130631186 +86.1542415810019 34.7937915791917 44.1998925737649 3.15184969949928 0.19093920067413 0.212580569869655 0.0753916058049247 +97.0505413484808 33.3132628990312 45.092665407164 3.26164424442501 0.191718271786466 0.216189413460786 0.0764768386567342 +108.326050573105 31.8747884486602 46.1188497189388 3.33888482886881 0.192394837251055 0.219536116470759 0.0772083759546367 +119.267833104742 30.5491649241413 47.1674374960826 3.38888882386696 0.192842159527882 0.222375773286724 0.07766428343534 +129.627543522943 29.3468759421758 48.1808202969712 3.42050980284413 0.193031822845374 0.224693107554358 0.0779430452673062 +139.867546269571 28.202947928864 49.1854371510596 3.44139710792304 0.192974791153797 0.226641459207874 0.0781215581196319 +151.108043889538 26.9940364263085 50.2787591382668 3.4562867546471 0.192624604502115 0.228411286067958 0.0782448583486123 +162.595757736557 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1.15964807176176 76.4515782139135 3.48067868338412 +980 1.11792973185315 76.4972130312357 3.48067868346 +990 1.07803419156643 76.5408669378926 3.48067868348458 +1000 1.03927051435705 76.5832907741529 3.48067868345387 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/sundialsstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/sundialsstiff.tsv new file mode 100644 index 0000000..4833825 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Autocatalytic_simulation/sundialsstiff.tsv @@ -0,0 +1,102 @@ +Time Fuel Autocatalyst sp_12 +0 100 100 0 +10 61.283514806687 61.0273870063614 0.273064739663483 +20 51.4131835836212 50.8188169206632 0.858945699301208 +30 46.6129425012352 46.3365091206523 1.44372387450178 +40 43.4199722209423 44.1366901640997 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| +init Substrate0 10.0 | +init Substrate1 10.0 | +init catalyst0 5.0 | +init catalyst1 5.0 | +init reporter 10.0 | +Substrate0 + Fuel0 <->{0.00065}{0.004} sp_1 | +Substrate0 + Fuel1 <->{0.00065}{0.004} sp_0 | +Substrate1 + Fuel0 <->{0.00065}{0.004} sp_3 | +Substrate1 + Fuel1 <->{0.00065}{0.004} sp_2 | +Substrate0 + catalyst0 <->{0.00065}{0.004} sp_5 | +Substrate1 + catalyst0 <->{0.00065}{0.004} sp_4 | +sp_7 + Fuel1 ->{0.00042} sp_8 + catalyst1 | +sp_8 <->{0.004}{0.00065} sp_9 + catalyst0 | +sp_9 + Fuel0 <->{0.00065}{0.004} sp_11 | +sp_9 + Fuel1 <->{0.00065}{0.004} sp_10 | +Substrate0 + catalyst1 <->{0.00065}{0.004} sp_14 | +sp_16 + Fuel0 ->{0.0005} sp_17 + catalyst0 | +sp_17 <->{0.004}{0.00065} sp_18 + catalyst1 | +sp_18 + Fuel0 <->{0.00065}{0.004} sp_21 | +sp_18 + Fuel1 <->{0.00065}{0.004} sp_20 | +sp_18 + catalyst0 <->{0.00065}{0.004} sp_19 | +sp_14 <->{0.00019}{0.0005} sp_16 + sp_15 | +Substrate1 + catalyst1 <->{0.00065}{0.004} sp_13 | +sp_9 + catalyst1 <->{0.00065}{0.004} sp_12 | +sp_4 <->{0.04}{0.00042} sp_7 + sp_6 | +reporter + sp_6 ->{0.0003} sp_23 + sp_22 | +reporter + Fuel1 <->{0.0003}{0.1126} sp_24 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Cross Catalytic_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Cross Catalytic_simulation/deterministic.tsv new file mode 100644 index 0000000..e033e7a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Cross Catalytic_simulation/deterministic.tsv @@ -0,0 +1,152 @@ +Time catalyst0 catalyst1 sp_22 +0 5 5 0 +0.845678632533092 4.94586674770903 4.94586778995707 3.85891463807481E-07 +1.97445461654507 4.87612878362563 4.87614161452761 4.79284813446874E-06 +2.69392434836927 4.83311177739878 4.83314369208594 1.19879778311087E-05 +3.97673897252272 4.75903725075433 4.75913621491609 3.75387150842759E-05 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+997 2.05780705537625 4.01750183288602 2.6130410653525 +998 2.05794145491073 4.01864044554758 2.61533545498615 +999 2.05807599432742 4.01977871797349 2.61762900270552 +1000 2.05821067333585 4.02091665032511 2.61992170924155 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward.crn new file mode 100644 index 0000000..1216ffd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward.crn @@ -0,0 +1,24 @@ +directive plot F0; F1; sp_15 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init C0 100.0 | +init F0 100.0 | +init F1 100.0 | +init FluorescingFeedforward 100.0 | +init OBSB0 100.0 | +init OBSB1 100.0 | +FluorescingFeedforward + F1 <->{0.00042}{0.04} sp_0 | +OBSB0 + C0 <->{0.00065}{0.004} sp_1 | +sp_3 + F0 ->{0.0005} sp_5 + sp_4 | +sp_5 <->{0.004}{0.00065} sp_6 + C0 | +sp_1 <->{0.00019}{0.0005} sp_3 + sp_2 | +OBSB1 + F0 <->{0.00065}{0.004} sp_8 | +OBSB1 + sp_4 <->{0.00065}{0.004} sp_7 | +sp_10 + F1 ->{0.00042} sp_12 + sp_11 | +sp_12 <->{0.004}{0.00065} sp_13 + sp_4 | +sp_13 + F0 <->{0.00065}{0.004} sp_14 | +FluorescingFeedforward + sp_11 ->{0.00042} sp_16 + sp_15 | +sp_7 <->{0.04}{0.00042} sp_10 + sp_9 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward_simulation/deterministic.tsv new file mode 100644 index 0000000..2c8cd20 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward_simulation/deterministic.tsv @@ -0,0 +1,130 @@ +Time F0 F1 sp_15 +0 100 100 0 +0.924061638558302 94.3441803901694 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--git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..567be89 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Feed forward_simulation/deterministicstiff.tsv @@ -0,0 +1,61 @@ +Time F0 F1 sp_15 +0 100 100 0 +0.964551599470825 94.1113178531045 96.1797460891898 4.32740724960413E-14 +1.87978056055307 89.1503767020969 92.9441263740275 3.95911974429201E-12 +3.02749700392823 83.6481192944692 89.3496901831252 9.26581954186565E-11 +4.02964818220846 79.3935148874256 86.5766402034072 5.8951798717602E-10 +5.36351140049945 74.391093124876 83.3380912630508 3.6082913055417E-09 +6.48988030728046 70.6644922191181 80.9522264587308 1.1455906925624E-08 +7.85278668448548 66.6625658311821 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+1000 19.4649502690681 54.0594493218826 13.34413840819 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Fluorescent Catalytic.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Fluorescent Catalytic.crn new file mode 100644 index 0000000..4bf79c5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Fluorescent Catalytic.crn @@ -0,0 +1,18 @@ +directive sample 0.0,7000.0 1000 +directive plot Fuel; Reporter; sp_7 +directive scale 500.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Catalyst 10.0 | +init Fuel 15.0 | +init Reporter 10.0 | +init Substrate 10.0 | +Reporter + Fuel <->{0.0003}{0.1126} sp_0 | +Substrate + Catalyst <->{0.00065}{0.004} sp_1 | +sp_3 + Fuel ->{0.00042} sp_5 + sp_4 | +sp_5 <->{0.004}{0.00065} sp_6 + Catalyst | +Reporter + sp_4 ->{0.0003} sp_8 + sp_7 | +sp_1 <->{0.04}{0.00042} sp_3 + sp_2 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Fluorescent Catalytic_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Fluorescent Catalytic_simulation/deterministic.tsv new file mode 100644 index 0000000..6a0d1d1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Fluorescent Catalytic_simulation/deterministic.tsv @@ -0,0 +1,775 @@ +Time Fuel Reporter sp_7 +0 15 10 0 +6.33166213211266 14.7998204061648 9.80043860428819 2.95086522872774E-06 +13.2179275245909 14.6967796211572 9.70178816485954 5.05466241459553E-05 +20.3145690392385 14.6414500638059 9.65767850993154 0.000255929754076951 +27.0366770140514 14.6048219359421 9.63930500330791 0.00073650215138087 +35.0450364534492 14.5630607765448 9.6296649874839 0.00188435332083146 +41.776464556796 14.5233567787527 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0.53159923725458 9.46143317477219 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Independent Input.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Independent Input.crn new file mode 100644 index 0000000..1d1bfd1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Independent Input.crn @@ -0,0 +1,16 @@ +directive plot fuel; sp_1 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init catalyst 10.0 | +init fuel 100.0 | +init substrate 100.0 | +substrate ->{0.1126} sp_2 + sp_1 | +sp_2 + fuel ->{0.0003} sp_4 + sp_3 | +sp_2 + catalyst <->{0.0003}{0.1126} sp_5 | +sp_5 + fuel ->{0.0003} sp_6 + sp_3 | +sp_6 <->{0.1126}{0.0003} sp_4 + catalyst | +sp_0 ->{0.1126} sp_5 + sp_1 | +substrate + catalyst <->{0.0003}{0.1126} sp_0 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Independent Input_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Independent Input_simulation/deterministic.tsv new file mode 100644 index 0000000..384fd3a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/Zhang, Science 2007 - Independent Input_simulation/deterministic.tsv @@ -0,0 +1,255 @@ +Time fuel sp_1 +0 100 0 +0.8874954411697 99.8725141301729 9.51010391326216 +1.95417071960433 99.4132962804001 19.7513001057711 +3.09845299387516 98.6063928727624 29.4526326710141 +4.34954456605732 97.420630297291 38.7225814945909 +5.56143325722366 96.0328559229332 46.5389861207777 +6.47968525954868 94.858546346418 51.7904538015535 +7.50826347008783 93.445526976048 57.0627710716067 +8.66773820935049 91.75912636868 62.3180609363819 +9.95810947733667 89.8013099401045 67.4139118804455 +11.3155083915279 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b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/generateData.sh new file mode 100644 index 0000000..cfe8e3c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/long/generateData.sh @@ -0,0 +1,11 @@ +#!/bin/bash +# each line runs a different simulator (Oslo/stiff, Sundials/stiff, LNA/stiff) on all .crn files in the current folder. The simulator is killed if it is taking more than 10 minutes to return the results. +T=600 +MSG="Test data stored" +BME="../../../../../../ModellingEngine/CliBME/bin/Release/CliBME.exe -simulator " +for i in ./*crn; do timeout $T $BME deterministic -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME DeterministicStiff -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME Sundials -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME SundialsStiff -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME Lna -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME LnaStiff -simulate "$i" && echo $MSG; done diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer.crn new file mode 100644 index 0000000..e89ffc9 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer.crn @@ -0,0 +1,19 @@ +directive sample 0.0,10000.0 1000 +directive plot sp_0; sp_8 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_0 1.0 | +init T_3 1.0 | +init T_2 1.0 | +init T_1 1.0 | +init T 1.0 | +T_2 + sp_0 <->{0.0003}{0.0003} sp_2 + sp_1 | +sp_4 + T ->{0.0003} sp_6 + sp_5 | +sp_2 + T <->{0.0003}{0.0003} sp_4 + sp_3 | +T_3 + sp_3 <->{0.0003}{0.0003} sp_7 + T | +sp_9 + sp_1 ->{0.0003} sp_11 + sp_10 | +sp_7 + T_1 <->{0.0003}{0.0003} sp_9 + sp_8 + diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer_simulation/deterministic.tsv new file mode 100644 index 0000000..f8abbe4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer_simulation/deterministic.tsv @@ -0,0 +1,66 @@ +Time sp_0 sp_8 +0 1 0 +7.91981623745772 0.99762969130778 1.31853450121078E-12 +19.8472503300145 0.994081136639036 5.19842746687658E-11 +31.9051490475781 0.990519486914591 3.44287490183866E-10 +43.9630477651418 0.986983510023311 1.23888374130941E-09 +56.0209464827054 0.983473019367566 3.2568664905557E-09 +68.0788452002691 0.979987829217635 7.0711388906202E-09 +91.0184850519002 0.973426592180369 2.23780238401683E-08 +113.958124903531 0.966954994569117 5.45764145951465E-08 +136.897764755162 0.960571784847339 1.12811408220791E-07 +159.837404606794 0.954275723136611 2.07886439789775E-07 +196.226091351482 0.94446416766941 4.65825111933091E-07 +232.61477809617 0.934863982598912 9.08152967330818E-07 +269.003464840858 0.925470413543803 1.60374648648963E-06 +305.392151585546 0.91627878193238 2.62899547073433E-06 +355.947811922692 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0.0391932401435496 +5402.07292225512 0.468582615789996 0.0451913111193577 +5718.90764549657 0.460104666476723 0.051463386978584 +6035.74236873802 0.452250516354108 0.0579676936125643 +6352.57709197946 0.444933939578603 0.0646669704120254 +6729.63833574155 0.436837002011605 0.0728410763631453 +7106.69957950364 0.429313378658095 0.0811792699745438 +7483.76082326573 0.422284789073067 0.0896285719015676 +7860.82206702783 0.415681865952522 0.0981447853820921 +8308.93320241531 0.408317092249891 0.108295921858014 +8757.04433780279 0.401405618666309 0.118425058632482 +9205.15547319027 0.394886797269925 0.128483318912796 +9653.26660857775 0.388707661563665 0.138433892611348 +9999.9999999 0.384179925653434 0.146014239017538 +10000 0.384179925653434 0.146014239017538 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..7893bc6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/2-domain, DCM - Two-domain transducer_simulation/deterministicstiff.tsv @@ -0,0 +1,60 @@ +Time sp_0 sp_8 +0 1 0 +9.41575840660179 0.997183236507292 2.70664549960351E-12 +18.6472816636974 0.994436993254305 4.1447887383568E-11 +30.2238067629908 0.991014572682455 2.84701354580863E-10 +40.3320772644838 0.988045594602601 8.99278613708679E-10 +53.7861853019709 0.984121707987057 2.82978654280488E-09 +65.1473869260133 0.980832786376772 6.06457716270327E-09 +78.8944408911045 0.976883035914189 1.29765907375831E-08 +95.528376188865 0.972147162619955 2.7720820683851E-08 +105.112691289003 0.969439764823626 4.04897423151304E-08 +115.655437899155 0.966479534995275 5.91129821031437E-08 +127.252459170322 0.963244809619855 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0.144162478169004 +9930 0.384834456145657 0.144380703987122 +9940 0.384705042797151 0.144598854202213 +9950 0.38457572720042 0.144816928606662 +9960 0.384446508177682 0.145034926995132 +9970 0.384317384548401 0.145252849164566 +9980 0.384188355129288 0.145470694914181 +9990 0.384059418734298 0.145688464045471 +10000 0.383930793202461 0.145906132078226 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout.crn new file mode 100644 index 0000000..527b073 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout.crn @@ -0,0 +1,15 @@ +directive sample 0.0,3600.0 2000 +directive plot OUTPUT +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init FANOUT_1 1.0 | +init FANOUT 1.0 | +init INPUT 1.0 | +init REPORTER 10.0 | +FANOUT_1 + INPUT ->{0.0003} sp_2 + sp_1 + sp_0 | +sp_2 + FANOUT ->{0.0003} sp_5 + sp_4 + sp_3 | +REPORTER + sp_3 ->{0.0003} sp_7 + OUTPUT | +REPORTER + sp_0 ->{0.0003} sp_6 + OUTPUT diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/deterministic.tsv new file mode 100644 index 0000000..c5c9fb3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/deterministic.tsv @@ -0,0 +1,66 @@ +Time OUTPUT +0 0 +1.55851805476076 1.0911686470478E-06 +3.94400487327212 6.96955003194116E-06 +7.0727932377196 2.23367671973027E-05 +10.2015816021671 4.63109720093441E-05 +13.3303699666146 7.88035278703259E-05 +16.4591583310621 0.000119726614881059 +22.4098847196764 0.000220512842958714 +28.3606111082908 0.000350890763180586 +34.3113374969051 0.000510280595421751 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at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/deterministicstiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/deterministicstiff.tsv new file mode 100644 index 0000000..75b5eec --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/deterministicstiff.tsv @@ -0,0 +1,68 @@ +Time OUTPUT +0 0 +1.79443008782091 1.44635382812273E-06 +3.79407038547816 6.45083082977856E-06 +5.70030133415917 1.45303957738713E-05 +7.69080362737193 2.63917640189582E-05 +9.37166554874927 3.9115835942844E-05 +11.4055084736158 5.78062302648407E-05 +13.8664584127044 8.52118198689731E-05 +16.8442078390016 0.000125328012306574 +18.5599586989156 0.000151873730458576 +20.4472846448211 0.000183950302666193 +22.5233431853172 0.0002226929235268 +24.8070075798628 0.000269465474923646 +27.319038413863 0.000325905318792165 +30.0822723312632 0.000393976461248052 +33.1218296404035 0.000476032523268781 +36.4653426804577 0.000574891156914677 +40.1432070245174 0.000693921764461668 +44.1888578029831 0.000837148606289987 +48.6390736592953 0.00100937161471286 +53.5343111012388 0.00121630745434623 +58.9190722873766 0.00146475356972886 +64.8423095921281 0.00176277811653808 +71.3578706273549 0.00211993875566457 +78.5249877661043 0.00254753326291871 +86.4088166187286 0.00305888472482539 +95.0810283566154 0.00366966369567715 +104.620461268291 0.00439824901448133 +115.113837471134 0.00526612794389632 +126.656551294261 0.00629833480976707 +139.353536499701 0.00752392529907202 +153.320220225685 0.00897648093031032 +168.683572324268 0.0106946348751702 +185.583259632709 0.0127226062505346 +204.172915671993 0.015110725241647 +224.621537315207 0.0179159260763305 +247.115021122741 0.0212021791870381 +271.857853311029 0.0250408282742319 +299.074968718146 0.0295107930168451 +329.013795665975 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of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/lna.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/lna.tsv new file mode 100644 index 0000000..bc71ce2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/lna.tsv @@ -0,0 +1,83 @@ +Time OUTPUT (Mean) OUTPUT (Std) +0 0 0 +0.0318064909134848 4.55227861604761E-10 2.13360694922353E-05 +2.35368032759788 2.48647208471641E-06 0.0015768529728848 +6.46879682000062 1.86970552277009E-05 0.00432396504101008 +8.99358876672913 3.60404184929157E-05 0.00600324884606645 +11.5183807134576 5.89529366413019E-05 0.00767783357520722 +14.0431726601862 8.73882550979153E-05 0.00934772140916284 +19.0139737688195 0.000159334325422389 0.012621673019291 +23.9847748774528 0.000252162583361498 0.0158774445997796 +28.9555759860861 0.000365531102431072 0.0191150588327306 +33.9263770947194 0.000499102912070409 0.0223345445080834 +41.7524396371877 0.00074954327678827 0.0273666558274994 +49.578502179656 0.00104797172875593 0.0323540242315347 +57.4045647221243 0.00139314799963146 0.0372967952618943 +65.2306272645926 0.0017838596753699 0.042195143363955 +75.707291135224 0.00237612557429613 0.0486832737822471 +86.1839550058554 0.00304512020556047 0.0550925686950363 +96.6606188764869 0.00378817129942795 0.0614235378473484 +107.137282747118 0.00460268580819616 0.0676767511027429 +120.135105919397 0.00570878373108873 0.0753275671072356 +133.132929091675 0.00691641187681446 0.0828607840113216 +146.130752263953 0.00822113513615768 0.0902776594995243 +159.128575436232 0.00961867938608023 0.0975795255219405 +174.415329430294 0.011375581320292 0.106021942100567 +189.702083424355 0.013248852221293 0.114309495291448 +204.988837418417 0.0152324148644913 0.122444574302318 +220.275591412479 0.0173204484124168 0.130429610951263 +239.319913803624 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end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/lnastiff.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/lnastiff.tsv new file mode 100644 index 0000000..454cbae --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/lnastiff.tsv @@ -0,0 +1,66 @@ +Time OUTPUT (Mean) OUTPUT (Std) +0 0 0 +0.0314514230996476 5.9347414442689E-10 2.4361324737127E-05 +2.01296968940359 1.81960181251441E-06 0.00134892477717826 +4.22109348466218 7.98080995868091E-06 0.00282502003135752 +6.32606902549936 1.78833333646916E-05 0.00422882653252983 +8.52410208339949 3.23908665011901E-05 0.00569119398985976 +10.3802115094226 4.79345278949256E-05 0.00692329055148886 +12.6261039149107 7.07457392031369E-05 0.00841071548807326 +15.3436337255512 0.000104164475077299 0.010205505441288 +18.6318447964262 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0.632252525033834 0.592118211370996 +3581.6678764465 0.682573168825444 0.598225634831937 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/sundials.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/sundials.tsv new file mode 100644 index 0000000..091e0f7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Formal Analysis - Fanout_simulation/sundials.tsv @@ -0,0 +1,2002 @@ +Time OUTPUT +0 0 +1.8 1.45343822915162E-06 +3.6 5.77869477520687E-06 +5.4 1.29649618188655E-05 +7.2 2.30122393601276E-05 +9 3.5920527398993E-05 +10.8 5.16875558793341E-05 +12.6 7.0277537748632E-05 +14.4 9.1665385580249E-05 +16.2 0.000115834562061866 +18 0.000142768529881165 +19.8 0.000172450751725827 +21.6 0.000204864690283533 +23.4 0.000239993808241964 +25.2 0.000277821568288801 +27 0.000318331433111726 +28.8 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0.680479739715129 +3576.6 0.680748828625326 +3578.4 0.681017835504079 +3580.2 0.681286760495285 +3582 0.681555603743355 +3583.8 0.681824365393211 +3585.6 0.682093045590288 +3587.4 0.682361644480536 +3589.2 0.682630162210418 +3591 0.682898598926916 +3592.8 0.683166954777528 +3594.6 0.683435229910271 +3596.4 0.68370342447368 +3598.2 0.683971538616814 +3600 0.684239572489249 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Nature Nanotech 2013 - Consensus Modules.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Nature Nanotech 2013 - Consensus Modules.crn new file mode 100644 index 0000000..03c6ae8 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Nature Nanotech 2013 - Consensus Modules.crn @@ -0,0 +1,125 @@ +directive sample 0.0,(12.0 * 3600.0) 1000 +directive plot Catalyst; Input +directive simulation deterministic +directive parameters + [ ka, (1E-05, 0.002), 0.0003, log, random + ; kq, (1E-05, 0.002), 0.0003, log, random + ; kr, (1E-05, 0.002), 0.0003, log, random + ; kb, (1E-05, 0.002), 0.0003, log, random + ; kc, (1E-05, 0.002), 0.0003, log, random + ; ua = 0.1 + ; ub = 0.1 + ; ur = 0.1 + ; uq = 0.1 + ; uc = 0.1 + ; kt, (1E-05, 0.002), 0.0003, log, random + ; ku1, (1E-05, 0.002), 0.0003, log, random + ; ku2, (1E-05, 0.002), 0.0003, log, random + ; ku3, (1E-05, 0.002), 0.0003, log, random + ; ut = 0.1 + ; uu1 = 0.1 + ; uu2 = 0.1 + ; uu3 = 0.1 + ; X = 50.0 + ; NG = 75.0 + ; NH = 100.0 + ; NR = 150.0 + ; Xv = 40.0 + ; NGv = 120.0 + ; NHv = 120.0 + ; NRv = 120.0 + ; Xh = 10.0 + ; NGh = 15.0 + ; NHh = 20.0 + ; NRh = 30.0 + ; Xi = 10.0 + ; NGi = 30.0 + ; NHi = 30.0 + ; NRi = 30.0 + ; NMi = 100.0 + ; Xr = 1.0 + ; NRr = 3.0 + ; Xm = 40.0 + ; NGm = 80.0 + ; NHm = 80.0 + ; NRm = 120.0 + ; leakXY2B_J = 0.01 + ; badXY2B_X = 0.01 + ; leakXY2B_F = 0.01 + ; badXY2B_Y = 0.01 + ; leakBX2X_J = 0.01 + ; badBX2X_B = 0.01 + ; leakBX2X_F = 0.01 + ; badBX2X_X = 0.01 + ; leakBY2Y_J = 0.01 + ; badBY2Y_B = 0.01 + ; leakBY2Y_F = 0.01 + ; badBY2Y_Y = 0.01 + ; leakJoinBX_B = 0.01 + ; badJoinBX_B = 0.01 + ; leakJoinBX_X = 0.01 + ; badJoinBX_X = 0.01 + ; leakJoinBX_H = 0.01 + ; badJoinBX_H = 0.01 + ; leakJoinBY_B = 0.01 + ; badJoinBY_B = 0.01 + ; leakJoinBY_Y = 0.01 + ; badJoinBY_Y = 0.01 + ; leakJoinBY_H = 0.01 + ; badJoinBY_H = 0.01 + ; leakJoinXY_X = 0.01 + ; badJoinXY_X = 0.01 + ; leakJoinXY_Y = 0.01 + ; badJoinXY_Y = 0.01 + ; leakJoinXY_H = 0.01 + ; badJoinXY_H = 0.01 + ; leakFork2B_R = 0.01 + ; badFork2B_R = 0.01 + ; leakFork2B_H1 = 0.01 + ; badFork2B_H1 = 0.01 + ; leakFork2B_H2 = 0.01 + ; badFork2B_H2 = 0.01 + ; leakFork2X_R = 0.01 + ; badFork2X_R = 0.01 + ; leakFork2X_H1 = 0.01 + ; badFork2X_H1 = 0.01 + ; leakFork2X_H2 = 0.01 + ; badFork2X_H2 = 0.01 + ; leakFork2Y_R = 0.01 + ; badFork2Y_R = 0.01 + ; leakFork2Y_H1 = 0.01 + ; badFork2Y_H1 = 0.01 + ; leakFork2Y_H2 = 0.01 + ; badFork2Y_H2 = 0.01 + ; leakJoinBX_R1 = 0.01 + ; badJoinBX_R1 = 0.01 + ; leakJoinBX_R2 = 0.01 + ; badJoinBX_R2 = 0.01 + ; leakJoinBX_R3 = 0.01 + ; badJoinBX_R3 = 0.01 + ; leakJoinBY_R1 = 0.01 + ; badJoinBY_R1 = 0.01 + ; leakJoinBY_R2 = 0.01 + ; badJoinBY_R2 = 0.01 + ; leakJoinBY_R3 = 0.01 + ; badJoinBY_R3 = 0.01 + ; leakJoinXY_R1 = 0.01 + ; badJoinXY_R1 = 0.01 + ; leakJoinXY_R2 = 0.01 + ; badJoinXY_R2 = 0.01 + ; leakJoinXY_R3 = 0.01 + ; badJoinXY_R3 = 0.01 + ; e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init CatalystR NMi | +init InputR NMi | +init Join_ABRev (NGi * (1.0 - leakJoinBX_R3)) | +init Input (NGi * leakJoinBX_R3) | +init Rep_Fork NRi | +init Translator ((0.4 * Xi) * (1.0 - badJoinBX_R3)) | +Rep_Fork + Input ->{kt} sp_0 + Signal_Fork | +Join_ABRev + Translator <->{ku1}{kt} sp_1 + Helper | +sp_1 + CatalystR <->{kt}{kt} sp_2 + Catalyst | +sp_2 + InputR <->{kt}{kt} sp_3 + Input diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Nature Nanotech 2013 - Consensus Modules_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Nature Nanotech 2013 - Consensus Modules_simulation/deterministic.tsv new file mode 100644 index 0000000..2cb1595 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Nature Nanotech 2013 - Consensus Modules_simulation/deterministic.tsv @@ -0,0 +1,732 @@ +Time Catalyst Input +0 0 0.3 +42.8513049738239 0.566162272540403 0.385493038109596 +87.496224189365 1.4444890140917 0.812774039454261 +131.457791778292 2.1485289001099 1.15769128519609 +180.461372231796 2.71190057794942 1.3020591950499 +230.184085779905 3.10308102440387 1.25612868978476 +274.337128984021 3.34447641945745 1.13182768734666 +323.869153731713 3.53401570909667 0.959375660383181 +378.521587859481 3.67535219776767 0.769643889284262 +422.582227681308 3.75399075844107 0.631744682227053 +467.970082185577 3.81217949329289 0.508536805835705 +516.973716086246 3.85660140166355 0.397514387328378 +567.393986829278 3.88836738800085 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end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Scienze 2007 - Catalytic.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Scienze 2007 - Catalytic.crn new file mode 100644 index 0000000..963c9cb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Scienze 2007 - Catalytic.crn @@ -0,0 +1,14 @@ +directive sample 0.0,7000.0 1000 +directive scale 500.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init sp_2 10.0 | +init sp_1 10.0 | +init sp_0 13.0 | +sp_2 + sp_1 <->{0.00065}{0.004} sp_3 | +sp_3 <->{0.04}{0.00042} sp_5 + sp_4 | +sp_5 + sp_0 ->{0.00042} sp_7 + sp_6 | +sp_7 <->{0.004}{0.00065} sp_8 + sp_1 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Scienze 2007 - Catalytic_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Scienze 2007 - 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of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Tutorial, VEMDP 2014 - Join Reporter.crn b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Tutorial, VEMDP 2014 - Join Reporter.crn new file mode 100644 index 0000000..c56c221 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Tutorial, VEMDP 2014 - Join Reporter.crn @@ -0,0 +1,17 @@ +directive sample 0.0,10000.0 1000 +directive plot Input1; Input2; Signal +directive scale 10.0 +directive parameters + [ e = 2.71828183 + ; R = 0.0019872 + ; T = 298.15 ] + +init Input1 10.0 | +init Input2 10.0 | +init Join 100.0 | +init Reporter 100.0 | +Join + Input1 <->{0.0003}{0.1126} sp_0 | +sp_2 + Input2 <->{0.0003}{0.1126} sp_3 | +sp_3 <->{0.1126}{0.0003} sp_5 + sp_4 | +sp_0 <->{0.1126}{0.0003} sp_2 + sp_1 | +Reporter + sp_4 ->{0.0003} sp_6 + Signal \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Tutorial, VEMDP 2014 - Join Reporter_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Tutorial, VEMDP 2014 - Join Reporter_simulation/deterministic.tsv new file mode 100644 index 0000000..7336f20 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Tutorial, VEMDP 2014 - Join Reporter_simulation/deterministic.tsv @@ -0,0 +1,741 @@ +Time Input1 Input2 Signal +0 10 10 0 +9.33268774012738 8.24824474181399 9.99348365114479 9.65728212931321E-05 +19.9986978340899 7.07727337357024 9.96504895878487 0.00215378769093375 +31.1870823264099 6.08839161827549 9.91643543395653 0.0106709596482138 +41.7561742952893 5.29895062348527 9.85698618117754 0.0277345787039644 +53.6583616941051 4.54889211345715 9.77769582028923 0.0591658867412376 +63.9398619987786 4.00175584311405 9.70093745538729 0.0969940020459196 +74.3556184149269 3.52839339113633 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sp_5 | +sp_5 + fuel ->{0.0003} sp_6 + sp_3 | +sp_6 <->{0.1126}{0.0003} sp_4 + catalyst | +sp_0 ->{0.1126} sp_5 + sp_1 | +substrate + catalyst <->{0.0003}{0.1126} sp_0 diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Zhang, Science 2007 - Independent Input_simulation/deterministic.tsv b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Zhang, Science 2007 - Independent Input_simulation/deterministic.tsv new file mode 100644 index 0000000..384fd3a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/Zhang, Science 2007 - Independent Input_simulation/deterministic.tsv @@ -0,0 +1,255 @@ +Time fuel sp_1 +0 100 0 +0.8874954411697 99.8725141301729 9.51010391326216 +1.95417071960433 99.4132962804001 19.7513001057711 +3.09845299387516 98.6063928727624 29.4526326710141 +4.34954456605732 97.420630297291 38.7225814945909 +5.56143325722366 96.0328559229332 46.5389861207777 +6.47968525954868 94.858546346418 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100.000000000207 +1000 3.25145673528977 100.000000000205 \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/generateData.sh b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/generateData.sh new file mode 100644 index 0000000..cfe8e3c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/generateData.sh @@ -0,0 +1,11 @@ +#!/bin/bash +# each line runs a different simulator (Oslo/stiff, Sundials/stiff, LNA/stiff) on all .crn files in the current folder. The simulator is killed if it is taking more than 10 minutes to return the results. +T=600 +MSG="Test data stored" +BME="../../../../../../ModellingEngine/CliBME/bin/Release/CliBME.exe -simulator " +for i in ./*crn; do timeout $T $BME deterministic -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME DeterministicStiff -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME Sundials -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME SundialsStiff -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME Lna -simulate "$i" && echo $MSG; done +for i in ./*crn; do timeout $T $BME LnaStiff -simulate "$i" && echo $MSG; done diff --git a/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/quicktests.zip b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/quicktests.zip new file mode 100644 index 0000000..cae58b3 Binary files /dev/null and b/ClassicDSD/ClassicDSDTests/testData/simulations/deterministic/quick/quicktests.zip differ diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/2-domain, DCM - Two domain fork-join.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/2-domain, DCM - Two domain fork-join.vdsd new file mode 100644 index 0000000..ca66741 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/2-domain, DCM - Two domain fork-join.vdsd @@ -0,0 +1,20 @@ +(*Two domain fork/join from Fig 18 of Cardelli DCM2010*) +directive duration 300.0 points 1000 +directive compilation infinite +directive plot ; ; ; ; sum([t^ _]:[_ t^]) +new t@1.0,1.0 + +def F(N, x, y, z) = new a +( N * | N * | N * +| N * {t^*}:[x t^]:[a t^]:[a] +| N * [x]:[t^ z]:[t^ y]:[t^ a]:{t^*} ) + +def J(N, x, y, z) = new a new b +( N * | N * | N * +| N * {t^*}:[x t^]:[y t^]:[a t^]:[a] +| N * [x]:[t^ b]:[t^ z]:[t^ a]:{t^*} +| N * {t^*}:[b y]:{t^*} ) + +( F(10, x, y, z) | F(10, u, v, w) | J(10, y, v, yv) +| J(10, y, w, yw) | J(10, z, v, zv) | J(10, z, w, zw) +| 1 * | 1 * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/2-domain, DCM - Two-domain transducer.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/2-domain, DCM - Two-domain transducer.vdsd new file mode 100644 index 0000000..fc12734 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/2-domain, DCM - Two-domain transducer.vdsd @@ -0,0 +1,18 @@ +directive duration 10000.0 points 1000 +directive compilation infinite +directive plot ; ; +new t +def T(N,x,y) = +new a (* remove for interference *) +( N * +| N * +| N * {t^*}:[x t^]:[a t^]:[a] (* Input gate *) +| N * [x]:[t^ y]:[t^ a]:{t^*} (* Output gate *) +) +(* +( | T(x,y) ) +( 2 * | T(2,x,y) ) +( 2 * | T(2,x,y) | T(2,y,z) ) +( | T(1,x,y) | T(1,y,z) ) +*) +( | T(1,x,y) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Fork.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Fork.vdsd new file mode 100644 index 0000000..a7a842b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Fork.vdsd @@ -0,0 +1,23 @@ +directive duration 30000.0 points 1000 +directive plot sum(<_ tx^ x>); [B]:[tx^]; sum(<_ ty^ y>); sum(<_ tz^ z>); +[tB^ B]:{tx^}:[x ta^]:[a ty]:[b tz^]:[c tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind + +def BF2(M,N, tx,x, ty,y, tz,z) = +new ta@bind,unbind new a new b new c new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +( BF2(Buff,1, tx,x, ty,y, tz,z) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Join.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Join.vdsd new file mode 100644 index 0000000..cda0418 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Join.vdsd @@ -0,0 +1,29 @@ +directive duration 100000.0 points 1000 +directive plot sum(<_ tx^ x>); sum(<_ ty^ y>); sum(<_ tz^ z>); sum(<_ tw^ w>); ; +[tB^ B]:{tx^}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind +new tw@bind,unbind + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * +) + +( BJ2x2(Buff,1, tx,x, ty,y, tz,z, tw,w) +| 1 * +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Transducer.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Transducer.vdsd new file mode 100644 index 0000000..828055b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Buffered Transducer.vdsd @@ -0,0 +1,21 @@ +directive duration 30000.0 points 1000 +directive plot sum(<_ tx^ x>); sum(<_ ty^ y>); [tB^ B]:{tx^}:[x ta^]:[a ty^]:[b tB^] +directive scale 100.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tx@bind,unbind +new ty@bind,unbind + +def BTr(M,N, tx,x, ty,y) = +new ta@bind,unbind new a new b new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +( BTr(Buff,1, tx,x, ty,y) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Oscillating.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Oscillating.vdsd new file mode 100644 index 0000000..9027e52 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Oscillating.vdsd @@ -0,0 +1,31 @@ +directive duration 500000.0 points 1000 +directive plot sum(<_ tp^ p>); sum(<_ tq^ q>); sum(<_ tr^ r>); +sum(); [tB^ B]:{tp^}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^] +directive scale 100.0 + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 100 +new tp@bind,unbind +new tq@bind,unbind +new tr@bind,unbind + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * ) + +( BJ2x2(Buff,1, tp,p, tq,q, tq,q, tq,q) +| BJ2x2(Buff,1, tq,q, tr,r, tr,r, tr,r) +| BJ2x2(Buff,1, tr,r, tp,p, tp,p, tp,p) +| 3 * +| 2 * +| 2 *
+) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Transducer Composition.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Transducer Composition.vdsd new file mode 100644 index 0000000..6562bd7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Transducer Composition.vdsd @@ -0,0 +1,20 @@ +directive duration 5000.0 points 1000 +directive plot <_ tx^ x>; <_ ty^ y>; <_ tz^ z> +directive scale 1000.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new tx@bind,unbind +new ty@bind,unbind +new tz@bind,unbind + +def Tr(N, tx,x, ty,y) = +new a new ta@bind,unbind +( N * {tx^*}:[x ta^]:[a ty^] +| N * +| N * [x]:{ta^*} +) + +( Tr(10, tx,x, ty,y) +| Tr(10, ty,y, tz,z) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Transducer.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Transducer.vdsd new file mode 100644 index 0000000..b0d1e46 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Transducer.vdsd @@ -0,0 +1,17 @@ +directive duration 5000.0 points 1000 +directive plot <_ tx^ x>; <_ ty^ y> +directive scale 1000.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new tx@bind,unbind +new ty@bind,unbind + +def Tr(N, tx,x, ty,y) = + new a new ta@bind,unbind + ( N * {tx^*}:[x ta^]:[a ty^] + | N * + | N * [x]:{ta^*} ) + +( Tr(10,tx,x,ty,y) +| 1 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Ultrasensitive.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Ultrasensitive.vdsd new file mode 100644 index 0000000..73efa1e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/3-domain, DNA 2016 - Ultrasensitive.vdsd @@ -0,0 +1,50 @@ +directive duration 500000.0 points 1000 +directive plot sum(<_ tl1p^ l1p>); sum(<_ tl2p^ l2p>); sum(<_ tl3p^ l3p>) +def bind = 0.00003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Buff = 10000 +new tstim@bind,unbind +new tl1@bind,unbind new tl1p@bind,unbind +new tl2@bind,unbind new tl2p@bind,unbind +new tl3@bind,unbind new tl3p@bind,unbind + +def BTr(M,N, tx,x, ty,y) = +new ta@bind,unbind new a new b new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +def BF2(M,N, tx,x, ty,y, tz,z) = +new ta@bind,unbind new a new b new c new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] +| M * +| M * [x]:{ta^*} +| M * [B]:{tx^*} +| N * +) + +def BJ2x2(M,N, tx,x, ty,y, tz,z, tw,w) = +new ta@bind,unbind new a new b new c +new td@bind,unbind new d new tB@bind,unbind new B +( M * {tB^*}:[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] +| M * +| M * [B]:{tx^*} +| M * [x]:[ty^ d]:[td^ y]:{ta^*} +| M * +| M * {td^*}:[y] +| M * {ty^*}:[d] +| N * +) + +( BF2(Buff,10, tstim,stim, tl1,l1, tstim,stim) +| BTr(Buff,10, tl1,l1, tl1p,l1p) +| BJ2x2(Buff,10, tl1p,l1p, tl2,l2, tl1,l1, tl2p,l2p) +| BJ2x2(Buff,10, tl2p,l2p, tl3,l3, tl2,l2, tl3p,l3p) +| BTr(Buff,1, tl3p,l3p, tl3,l3) +| 1000 * +| 1000 * +| 10 * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Co-operative - Lotka.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Co-operative - Lotka.vdsd new file mode 100644 index 0000000..13a6d19 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Co-operative - Lotka.vdsd @@ -0,0 +1,32 @@ +directive duration 20000.0 points 1000 +directive plot ; +directive reltolerance 1e-7 + +def bind = 0.00001 (* /nM/s *) +def unbind = 0.1 (* /s *) +def Excess = 100 + +new x@ bind,unbind +new t@ bind,unbind + +def SpeciesL(N,al,a) = N * +def SpeciesR(N,a,ar) = N *
+def BinaryLRxRR(N,al,a,b,br,c,cr,d,dr) = (* A + B ->{N} C + D *) +new i +( constant N * {t^*}:[a x^ b]:{t^*} +| constant N * Excess * {x^*}:[b i]:[t^ cr]:[t^ dr] +) +def UnaryLxLL(N,al,a,cl,c,dl,d) = (* A ->{N} C + D *) +new i +( constant N * {t^*}:[a x^] +| constant N * Excess * {x^*}:[i]:[cl t^]:[dl t^] +) +def UnaryRx(N,a,ar) = (* A ->{N} *) +constant N * [a]:{t^*} + +( UnaryLxLL(1000,y1l,y1,y1l,y1,y1l,y1) (* Y1 -c1-> Y1 + Y1 *) +| BinaryLRxRR(30000,y1l,y1,y2,y2r,y2,y2r,y2,y2r) (* Y1 + Y2 -c2-> Y2 + Y2 *) +| UnaryRx(1000,y2,y2r) (* Y2 -c3-> *) +| SpeciesL(1000,y1l,y1) (* Y1 *) +| SpeciesR(1000,y2,y2r) (* Y2 *) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Co-operative - Mapk.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Co-operative - Mapk.vdsd new file mode 100644 index 0000000..30b5789 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Co-operative - Mapk.vdsd @@ -0,0 +1,44 @@ +directive duration 20000.0 points 1000 +directive plot ; ; ; +; ; ; ; +directive scale 10.0 +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +def Init = 50 +def Low = 1 +def Excess = 100 + +new x@ bind,unbind +new t@ bind,unbind + +def SpeciesL(N,al,a) = N * +def SpeciesR(N,a,ar) = N * +def BinaryLRxLR(N,al,a,b,br,cl,c,d,dr) = (* A + B ->{N} C + D *) +new i +( constant N * {t^*}:[a x^ b]:{t^*} +| constant N * Excess * {x^*}:[b i]:[cl t^]:[i]:[t^ dr] +) + +new e1l new e1 new kkk new kkkr new kkl new kk new k new kr +new e2l new e2 new kkpase new kkpaser new kpasel new kpase +new kkks new kkksr new kkpl new kkp new kkppl new kkpp +new kp new kpr new kpp new kppr + +( SpeciesL(1,e1l,e1) (* E1 *) +| SpeciesR(10,kkk,kkkr) (* 10 KKK *) +| SpeciesL(100,kkl,kk) (* 100 KK *) +| SpeciesR(100,k,kr) (* 100 K *) +| SpeciesL(1,e2l,e2) (* E2 *) +| SpeciesR(1,kkpase,kkpaser) (* KKPase *) +| SpeciesL(1,kpasel,kpase) (* KPase *) +| BinaryLRxLR(Init,e1l,e1,kkk,kkkr,e1l,e1,kkks,kkksr) (* E1 + KKK ->{r} E1 + KKKs *) +| BinaryLRxLR(Low,e2l,e2,kkks,kkksr,e2l,e2,kkk,kkkr) (* E2 + KKKs ->{r} E2 + KKK *) +| BinaryLRxLR(Init,kkl,kk,kkks,kkksr,kkpl,kkp,kkks,kkksr) (* KK + KKKs ->{r} KKP + KKKs *) +| BinaryLRxLR(Init,kkpl,kkp,kkks,kkksr,kkppl,kkpp,kkks,kkksr) (* KKP + KKKs ->{r} KKPP + KKKs *) +| BinaryLRxLR(Low,kkppl,kkpp,kkpase,kkpaser,kkpl,kkp,kkpase,kkpaser) (* KKPP + KKPase ->{r} KKP + KKPase *) +| BinaryLRxLR(Low,kkpl,kkp,kkpase,kkpaser,kkl,kk,kkpase,kkpaser) (* KKP + KKPase ->{r} KK + KKPase *) +| BinaryLRxLR(Init,kkppl,kkpp,k,kr,kkppl,kkpp,kp,kpr) (* KKPP + K ->{r} KKPP + KP *) +| BinaryLRxLR(Init,kkppl,kkpp,kp,kpr,kkppl,kkpp,kpp,kppr) (* KKPP + KP ->{r} KKPP + KPP *) +| BinaryLRxLR(Low,kpasel,kpase,kpp,kppr,kpasel,kpase,kp,kpr) (* KPase + KPP ->{r} KPase + KP *) +| BinaryLRxLR(Low,kpasel,kpase,kp,kpr,kpasel,kpase,k,kr) (* KPase + KP ->{r} KPase + K *) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Autocatalytic Spatial.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Autocatalytic Spatial.vdsd new file mode 100644 index 0000000..f4721a6 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Autocatalytic Spatial.vdsd @@ -0,0 +1,102 @@ +directive sample 48.0*3600.0 1000 +directive compilation infinite +directive declare +directive plot ; ; + +directive parameters [ + (* Rates *) + kJ1 = 9.3389e-06; kJ1r = 5.8863e-05; + kJ2 = 8.1539e-05; kJ2r = 6.9742e-05; + kJ3 = 4.0619e-04; kJ3r = 3.3053e-06; + kF1 = 1.2135e-05; kF1r = 1.2982e-04; + kF2 = 4.5807e-05; kF2r = 4.7890e-04; + kF3 = 1.2031e-04; kF3r = 1.1956e-06; + kF4 = 3.5970e-06; kF4r = 4.7890e-04; + kF5 = 7.1967e-06; + kFRpx = 6.6487e-04; + + (* Leaks *) + (*leakBX2X_J = 0.0107; leakBX2X_F = 5.7837e-07;*) (* Leaks *) + leakBX2X_J = 0.0; leakBX2X_F = 0.0; (* No Leaks *) + + (* Concentrations *) + NG = 200.0; NH = 200.0 + ] + +(* Spatial simulation directives *) +directive simulation spatial1d +directive spatialbc zeroflux +directive spatialic centralcore { width=0.1; species=; inner=1.0 } +directive defaultdiffusion 1e-10 +directive dt 20.0 +directive xmax 0.1 +directive nx 101 +directive spatialplot + +def NB = 5.0 + +new t@0.0,0.0 new u1@0.0,0.0 new u2@0.0,0.0 new u3@0.0,0.0 +new b new x new y new rbx new rby new rxy +new pb new px new py new ig +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tx,x) = + +def Translator(r,tq) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Join(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def JoinAB(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| rxn + Join(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join1(ta,a,tb,b,tr,r,tq) +| rxn + Join1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join2(ta,a,tb,b,tr,r,tq) +| rxn + Join2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join3(ta,a,tb,b,tr,r,tq) +) +def ForkXYZ(N,NH1,NH2,NH3,NH4,NG,Leak,i,tz,z,ty,y,tx,x,tr,r,tq,k1) = +( NG*(1.0-Leak) * Fork(i,tz,z,ty,y,tx,x,tr,r,tq) +| NG*Leak * Output(ty,y) +| NH1 * Output1R(x,tr) +| NH2 * Output2R(y,tx) +| NH3 * Output3R(z,ty) +| NH4 * End(i,tz) +| rxn + Fork(i,tz,z,ty,y,tx,x,tr,r,tq) <->{k1,kF1r} + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF2,kF2r} + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF3,kF3r} + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF4,kF2r} + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) ->{kF5} Fork5(i,tz,z,ty,y,tx,x,tr,r,tq) + +) +def Rep(NR,t,r,k) = +( NR * {t^*}[r fl^] +| rxn + {t^*}[r fl^] ->{k} [t^ r] + ) + +(* Components *) +def JoinBX(NB,NX,NH,NG,Leak) = JoinAB(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def ForkXX(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF1) +def RepX(NG) = Rep(NG,u3,px,kFRpx) + +( JoinBX(0.0,0.0,NH,NG,leakBX2X_J) +| ForkXX(0.0,NH,NH,NH,NH,NG,leakBX2X_F) +| RepX(NG) +| NB * ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Consensus Spatial.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Consensus Spatial.vdsd new file mode 100644 index 0000000..38e7150 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Consensus Spatial.vdsd @@ -0,0 +1,132 @@ +directive sample 96.0*3600.0 1000 +directive compilation infinite +directive declare +directive plot ; ; + +directive parameters [ + (* Rates *) + kJ1 = 9.3389e-06; kJ1r = 5.8863e-05; + kJ2 = 8.1539e-05; kJ2r = 6.9742e-05; + kJ3 = 4.0619e-04; kJ3r = 3.3053e-06; + kF1 = 1.2135e-05; kF1_YY = 4.2054e-06; kF1r = 1.2982e-04; + kF2 = 4.5807e-05; kF2r = 4.7890e-04; + kF3 = 1.2031e-04; kF3r = 1.1956e-06; + kF4 = 3.5970e-06; kF4r = 4.7890e-04; + kF5 = 7.1967e-06; + kFRpb = 3.1439e-04; kFRpx = 6.6487e-04; kFRpy = 1.5619e-04; + + (* Leaks *) + leakXY2B_J = 0.0142; leakXY2B_F = 0.0098; + leakBX2X_J = 0.0107; leakBX2X_F = 5.7837e-07; + leakBY2Y_J = 0.0088; leakBY2Y_F = 0.0175; + + (* Concentrations *) + X = 80.0; NG = 160.0; NH = 160.0 +] + +(* Spatial simulation directives *) +directive spatialplot +directive spatialic random 0.2 +directive defaultdiffusion 1e-10 +directive dt 20.0 +directive xmax 0.1 + +(* 1d simulator block *) + directive simulation spatial1d + directive spatialbc zeroflux + directive nx 101 + def NX = 6.22 + def NY = 3.78 +(* 2d simulator block *) +(* directive simulation spatial2d + directive nx 51 + def NX = 7.5 + def NY = 5.0 *) + +new t@0.0,0.0 new u1@0.0,0.0 new u2@0.0,0.0 new u3@0.0,0.0 +new b new x new y new rbx new rby new rxy +new pb new px new py new ig +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tx,x) = + +def Translator(r,tq) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Join(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def JoinAB(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| rxn + Join(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join1(ta,a,tb,b,tr,r,tq) +| rxn + Join1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join2(ta,a,tb,b,tr,r,tq) +| rxn + Join2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join3(ta,a,tb,b,tr,r,tq) +) +def ForkXYZ(N,NH1,NH2,NH3,NH4,NG,Leak,i,tz,z,ty,y,tx,x,tr,r,tq,k1) = +( NG*(1.0-Leak) * Fork(i,tz,z,ty,y,tx,x,tr,r,tq) +| NG*Leak * Output(ty,y) +| NH1 * Output1R(x,tr) +| NH2 * Output2R(y,tx) +| NH3 * Output3R(z,ty) +| NH4 * End(i,tz) +| rxn + Fork(i,tz,z,ty,y,tx,x,tr,r,tq) <->{k1,kF1r} + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF2,kF2r} + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF3,kF3r} + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF4,kF2r} + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) ->{kF5} Fork5(i,tz,z,ty,y,tx,x,tr,r,tq) + +) +def Rep(NR,t,r,k) = +( NR * {t^*}[r fl^] +| rxn + {t^*}[r fl^] ->{k} [t^ r] + ) + +(* Components *) +def JoinBX(NB,NX,NH,NG,Leak) = JoinAB(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = JoinAB(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = JoinAB(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def ForkBB(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF1) +def ForkXX(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF1) +(*def ForkYY(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF1_YY)*) +def ForkYY(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF1) +def RepB(NG) = Rep(NG,u3,pb,kFRpb) +def RepX(NG) = Rep(NG,u3,px,kFRpx) +def RepY(NG) = Rep(NG,u3,py,kFRpy) + +(* Circuits *) +def XY2B(NH,NG) = +( JoinXY(NX,NY,NH,NG,leakXY2B_J) +| ForkBB(0.0,NH,NH,NH,NH,NG,leakXY2B_F) +| RepB(NG) ) +def BX2X(NH,NG) = +( JoinBX(0.0,0.0,NH,NG,leakBX2X_J) +| ForkXX(0.0,NH,NH,NH,NH,NG,leakBX2X_F) +| RepX(NG) ) +def BY2Y(NH,NG) = +( JoinBY(0.0,0.0,NH,NG,leakBY2Y_J) +| ForkYY(0.0,NH,NH,NH,NH,NG,leakBY2Y_F) +| RepY(NG) ) + +( XY2B(NH,NG) +| BX2X(NH,NG) +| BY2Y(NH,NG) +| NH * +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Lotka Spatial.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Lotka Spatial.vdsd new file mode 100644 index 0000000..8652ab1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Dalchau et al., DNA 2014 - Lotka Spatial.vdsd @@ -0,0 +1,117 @@ +directive sample 96*3600.0 3000 +directive plot ; +directive compilation infinite +directive simulation spatial1d +directive reltolerance 1e-6 +directive time s +directive concentration nM +directive declare +directive parameters [ + kt = 0.0001; + NX = 1.0; + NY = 1.0; + NG = 200.0; + NH = 200.0; + c1 = 0.01; + c2 = 0.01 +] + +directive dt 25.0 +directive xmax 0.1 +directive nx 101 +directive spatialplot +directive defaultdiffusion 1e-10 +directive spatialic centralcore { width=0.1; species=; inner=1.0 } +directive spatialic centralcore { width=0.1; species=; inner=1.0 } + +def ut = 0.1 +new t @kt,ut +new u @kt,ut +new fl@0.0,0.0 + +def Strand(a) = +def Reverse(a) = +def End(i) = +def Signal_Fork(c) = +def Signal_Join(r) = +def Rep_Fork(c) = {t^*}[c] +def Rep_Join(r) = [r]{t^*} +def Deg(a) = {t^(c1)*}:[a] +def Join_1(a,i) = {t^(c2)*}:[a u^]:[i] +def Join_2(a,b,i) = {t^*}:[a t^]:[b u^]:[i] +def Fork_2(i,c,b) = [i]:[t^ c]:[t^ b]{u^*} + +new x new y new i new rx new ry + +def X2X() = +( NG*Join_1(x,i) +| NG*Fork_2(i,x,x) +| NH*Reverse(x) +| NH*Reverse(i) +| NH* +) +def XY2Y() = +( NG*Join_2(x,y,i) +| NG*Fork_2(i,y,y) +| NH*Reverse(y) +| NH*Reverse(i) +| NH* +) +def DegY() = NG*Deg(y) + +def TestDegY(NY) = +( DegY() +| NY*Strand(y) +) +def TestJoinX(NX) = +( NG*Join_1(x,i) +| NX*Strand(x) +| NG*Reverse(x) +) +def TestJoinXY(NX,NY) = +( NG*Join_2(x,y,i) +| NX*Strand(x) +| NY*Strand(y) +| NG*Reverse(x) +) + +def TestX2X(NX) = +( X2X() +| NX*Strand(x) +| NG*Reverse(x) +) +def TestXY2Y(NX,NY) = +( XY2Y() +| NX*Strand(x) +| NY*Strand(y) +| NG*Reverse(x) +| NG*Reverse(y) +) +def TestDegY(NY) = +( DegY() +| NY*Strand(y) +) +def Lotka(NX,NY) = +( DegY() +| X2X() +| XY2Y() +| NX*Strand(x) +| NY*Strand(y) +) + +Lotka(NX,NY) + +(* +TestJoinX(NX) +TestJoinXY(NX,NY) +Lotka(NX,NY) +TestDegY(NY) +TestX2X(NX) +TestXY2Y(NX,NY) +*) + +(* Gates *) +(*Join_1(x,i)*) +(*Fork_2(i,x,x)*) +(*Join_2(x,y,i)*) +(*Fork_2(i,y,y)*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 10 Transducers.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 10 Transducers.vdsd new file mode 100644 index 0000000..abba493 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 10 Transducers.vdsd @@ -0,0 +1,52 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[10] and not NoReactiveGates@[10] +} + +(* Try to prove that a good state is reachable through BMC +(out of memory without the invariant assertion) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[100] and NoReactiveGates@[100] and +Invariant@[0 .. 100] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 new x10 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) | T(N, x2, x3) | T(N, x3, x4)| T(N, x4, x5)| T(N, x5, x6)| T(N, x6, x7) | T(N, x7, x8) | T(N, x8, x9) | T(N, x9, x10)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 2 Transducers.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 2 Transducers.vdsd new file mode 100644 index 0000000..385e07f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 2 Transducers.vdsd @@ -0,0 +1,49 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC (works for very large N) *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[20] and not NoReactiveGates@[20] +} + +(* Try to prove that a good state is reachable through BMC (works for very large N) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[20] and NoReactiveGates@[20] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 3 Transducers.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 3 Transducers.vdsd new file mode 100644 index 0000000..09eefae --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (buggy) 3 Transducers.vdsd @@ -0,0 +1,49 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC (works for very large N) *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[20] and not NoReactiveGates@[20] +} + +(* Try to prove that a good state is reachable through BMC (works for very large N) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[20] and NoReactiveGates@[20] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 new x3 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) | T(N, x2, x3) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized Fanout) SQRT.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized Fanout) SQRT.vdsd new file mode 100644 index 0000000..9cbdd92 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized Fanout) SQRT.vdsd @@ -0,0 +1,126 @@ +(*------------------------------------------------------------------------------------ + Circuit : 4 bit square root in dual rail logic + Description : No private domains are used. The circuit does not terminate + (no state is reached where no reactions are possible) + Notes : Use Compilation: Infinite; Set lower copies for simulation + Source : [1] + Modified by : Boyan Yordanov + + Biological Computation Group + Microsoft Research + Cambridge UK + 2013 + + [1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization + circuits. DNA17, pages 64{83, 2011. + ------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 + +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 15 (* Input number *) +def Copies = 1000 (* Number of copies of the circuit *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = (num+1)/2 - num/2 +def x2 = ((num/2)+1)/2 - num/4 +def x3 = ((num/4)+1)/2 - num/8 +def x4 = ((num/8)+1)/2 - num/16 + +def MSB(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized) Fanout.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized) Fanout.vdsd new file mode 100644 index 0000000..1d680d1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized) Fanout.vdsd @@ -0,0 +1,171 @@ +(*------------------------------------------------------------------------------------ +Circuit : FANOUT Gate +Notes : Use Compilation: Infinite; +Source : [1] +Modified by : Boyan Yordanov + +Biological Computation Group +Microsoft Research +Cambridge UK +2013 + +[1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization +circuits. DNA17, pages 64{83, 2011. +------------------------------------------------------------------------------------*) + + +(******************************************** +* SPECIFICATIONS +********************************************) + + +(********************************************** +* Specification 1: Correctness example +*********************************************** +$init[0] and $terminal[10] and $FanoutSpec[10]; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; +************************************************) + + +(********************************************** +* Specification 2: Counter-example for default initial conditions +*********************************************** +directive abstraction connected; +$init[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT<=OUTPUT[0])}; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; +************************************************) + +(********************************************** +* Specification 3: Counter-example for generalized initial conditions with a single input +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +INPUT <= 1 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; + + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT <=OUTPUT[0])}; +************************************************) + + +(********************************************** +* Specification 4: Counter-example for generalized initial conditions with multiple inputs +*********************************************** +$InitialConditions[0] and $terminal[10] and not $FanoutSpec[10]; + +$FanoutSpec :={ +OUTPUT = (FANOUT[0]+1)*INPUT[0]}; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; +************************************************) + + +(********************************************** +* Specification 5: Counter-example for modified specification +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$disabledReactions[1] and +$terminal[1] and +not $FanoutSpec2[1]; + +$FanoutSpec2 :={ +(INPUT[0]=0 => OUTPUT=0) and +(INPUT[0]>0 => (OUTPUT = FANOUT[0]+INPUT[0]))}; + +$disabledReactions :={ +(INPUT[0]=0 and sp_0[0]=0 and sp_2[0]=0) => +(OUTPUT<=OUTPUT[0])}; + +$InitialConditions := { +REPORTER > (FANOUT+1)*INPUT and +OUTPUT = 0 and +FANOUT_1 > INPUT and +sp_2 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_3 = 0 and +sp_4 = 0}; +************************************************) + + +(******************************************** +* CIRCUIT +********************************************) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = +((Degree-1) * | Degree * {Ti^*}[Inputa]:[Inputb To^] ) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( +0 * OUTPUT() +|1 * INPUT() +|1 * FANOUT(tA, Aa, Ab, tC, Ca, Cb, 2) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized) SQRT.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized) SQRT.vdsd new file mode 100644 index 0000000..98c6f43 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - (localized) SQRT.vdsd @@ -0,0 +1,168 @@ +(*------------------------------------------------------------------------------------ + Circuit : 4 bit square root in dual rail logic + Description : Crosstalk between logical blocks MSB, LSB0, LSB1 is prevented + through private DNA domains. + Notes : Use Compilation: Infinite; Set lower copies for simulation + Source : [1] + Modified by : Boyan Yordanov + + Biological Computation Group + Microsoft Research + Cambridge UK + 2013 + + [1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization + circuits. DNA17, pages 64{83, 2011. + ------------------------------------------------------------------------------------*) + + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 15 (* Input number *) +def Copies = 1000 (* Number of copies of the circuit *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = (num+1)/2 - num/2 +def x2 = ((num/2)+1)/2 - num/4 +def x3 = ((num/4)+1)/2 - num/8 +def x4 = ((num/8)+1)/2 - num/16 + +def MSB(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b + +new T@ untetheredbind, untetheredunbind +new Tmsb_0@ tetheredbind, tetheredunbind +new Tmsb_1@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_1oa new x4_1ob +new a1a new a1b new a2a new a2b +new a3a new a3b new a4a new a4b +new a5a new a5b +new T@ untetheredbind, untetheredunbind +new Tx4_1o@ tetheredbind, tetheredunbind +new Ta1@ tetheredbind, tetheredunbind +new Ta2@ tetheredbind, tetheredunbind +new Ta3@ tetheredbind, tetheredunbind +new Ta4@ tetheredbind, tetheredunbind +new Ta5@ tetheredbind, tetheredunbind +new Tlsb_1@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_0oa new x4_0ob +new a6a new a6b new a7a new a7b +new a8a new a8b new a9a new a9b +new a10a new a10b +new T@ untetheredbind, untetheredunbind +new Tx4_0o@ tetheredbind, tetheredunbind +new Ta6@ tetheredbind, tetheredunbind +new Ta7@ tetheredbind, tetheredunbind +new Ta8@ tetheredbind, tetheredunbind +new Ta9@ tetheredbind, tetheredunbind +new Ta10@ tetheredbind, tetheredunbind +new Tlsb_0@ tetheredbind, tetheredunbind +( N * INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| N * INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| N * INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| N * INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| N * FANOUT(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob, 2) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 10 Transducers.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 10 Transducers.vdsd new file mode 100644 index 0000000..c73fc97 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 10 Transducers.vdsd @@ -0,0 +1,38 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c new a +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 new x10 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) | T(N, x2, x3) | T(N, x3, x4)| T(N, x4, x5)| T(N, x5, x6)| T(N, x6, x7) | T(N, x7, x8) | T(N, x8, x9) | T(N, x9, x10)) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 2 Transducers.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 2 Transducers.vdsd new file mode 100644 index 0000000..c2d790e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 2 Transducers.vdsd @@ -0,0 +1,49 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC (works for very large N) *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[20] and not NoReactiveGates@[20] +} + +(* Try to prove that a good state is reachable through BMC (works for very large N) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[20] and NoReactiveGates@[20] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c new a +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 3 Transducers.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 3 Transducers.vdsd new file mode 100644 index 0000000..a548c0e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - 3 Transducers.vdsd @@ -0,0 +1,49 @@ +directive sample 300000.0 1000 +directive plot ; ; +directive compilation infinite +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +directive predicates all +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) +new t@bind,unbind + +(* Enumerate up to 5 "good" terminal states *) +query good = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and NoReactiveGates@[0] +} + +(* Enumerate up to 5 "bad" terminal states *) +query bad = { +enumeration limit 5; +Terminal@[0] and Invariant@[0] and not NoReactiveGates@[0] +} + +(* Try to prove that a bad state is reachable through BMC (works for very large N) *) +query findBad = { +abstraction stutter; +Init@[0] and Terminal@[20] and not NoReactiveGates@[20] +} + +(* Try to prove that a good state is reachable through BMC (works for very large N) *) +query findGood = { +abstraction stutter; +Init@[0] and Terminal@[20] and NoReactiveGates@[20] +} + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c new a +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +new x0 new x1 new x2 new x3 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) | T(N, x2, x3) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - And.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - And.vdsd new file mode 100644 index 0000000..34df04d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - And.vdsd @@ -0,0 +1,55 @@ +(*------------------------------------------------------------------------------------ + Circuit : AND Gate + Notes : Use Compilation: Infinite; + Source : [1] + Modified by : Boyan Yordanov + + Biological Computation Group + Microsoft Research + Cambridge UK + 2013 + + [1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization + circuits. DNA17, pages 64{83, 2011. + ------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( +0 * OUTPUT() +|0 * INPUT_A() +|0 * INPUT_B() +|10 * AND(tA, Aa, Ab, tB, Ba, Bb, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - Fanout.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - Fanout.vdsd new file mode 100644 index 0000000..7696932 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - Fanout.vdsd @@ -0,0 +1,90 @@ +(*------------------------------------------------------------------------------------ + Circuit : Modified FANOUT Gate + Notes : Use Compilation: Infinite; + Source : [1] + Modified by : Boyan Yordanov + + Biological Computation Group + Microsoft Research + Cambridge UK + 2013 + + [1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization + circuits. DNA17, pages 64{83, 2011. + ------------------------------------------------------------------------------------*) + +(******************************************** +* SPECIFICATIONS +********************************************) + +(********************************************** +* Specification 1: Fanout of degree 2 +*********************************************** +directive abstraction connected; +$InitialConditions[0] and +$strandConservation[1] and +$terminal[1] and +not $FanoutSpec[1]; + +$FanoutSpec :={ +OUTPUT = 2*INPUT[0]}; + +$InitialConditions := { +REPORTER > 2*INPUT and +OUTPUT = 0 and +FANOUT_1 > 2*INPUT and +FANOUT > INPUT and +sp_2 = 0 and +sp_5 = 0 and +sp_4 = 0 and +sp_3 = 0 and +sp_6 = 0 and +sp_1 = 0 and +sp_0 = 0 and +sp_7 = 0}; +************************************************) + + +(******************************************** +* CIRCUIT +********************************************) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def FANOUT(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( +0 * OUTPUT() +|1 * INPUT() +|1 * FANOUT(tA, Aa, Ab, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - Or.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - Or.vdsd new file mode 100644 index 0000000..f9a8f53 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - Or.vdsd @@ -0,0 +1,56 @@ +(*------------------------------------------------------------------------------------ + Circuit : OR Gate + Notes : Use Compilation: Infinite; + Source : [1] + Modified by : Boyan Yordanov + + Biological Computation Group + Microsoft Research + Cambridge UK + 2013 + + [1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization + circuits. DNA17, pages 64{83, 2011. + ------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 3600.0 points 2000 +directive scale 1.0 +(* directive compilation infinite *) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot +directive compilation infinite + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +def ON = 1 (* Input concentration *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( +0 * OUTPUT() +|0 * INPUT_A() +|0 * INPUT_B() +|10 * OR(tA, Aa, Ab, tB, Ba, Bb, tC, Ca, Cb) +|10 * REPORTER(tC,Ca,Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - SQRT.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - SQRT.vdsd new file mode 100644 index 0000000..5f3a7c1 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Formal Analysis - SQRT.vdsd @@ -0,0 +1,122 @@ +(*------------------------------------------------------------------------------------ + Circuit : 4 bit square root in dual rail logic + Description : No private domains are used. Modified FANOUT2 gate is used. + Notes : Use Compilation: Infinite; Set lower copies for simulation + Source : [1] + Modified by : Boyan Yordanov + + Biological Computation Group + Microsoft Research + Cambridge UK + 2013 + + [1] H. Chandran, N. Gopalkrishnan, A. Phillips, and J. Reif. Localized hybridization + circuits. DNA17, pages 64{83, 2011. + ------------------------------------------------------------------------------------*) + +(* Setting number of second to be simulated and the number of data points *) +directive duration 36000.0 points 2000 +directive scale 1.0 +directive compilation infinite +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s at lambda = 1. Manually multiply by lambda *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(*--------------------- SETTINGS ---------------------------------*) +def num = 12 (* Input number *) +def Copies = 20 (* Number of copies of the circuit *) +def ON = 20 (* Input concentration *) +(*---------------------------------------------------------------*) + +(* Defining speedup factor *) +def lambda = 1.0E+0 + +(* Winfree's parameters*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 50.0 * 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +def untetheredunbind = shorttoeholdunbind (* fast toehold dissociation rate constant /s *) +def untetheredbind = shorttoeholdbind (* slow toehold binding rate constant /nM/s *) + +def tetheredunbind = untetheredunbind (* toehold dissociation rate constant /s *) +def tetheredbind = untetheredbind*lambda (* toehold binding rate constant /nM/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + ((1-x) * ON * STRAND(T, x_0a, x_0b) + | x * ON * STRAND(T, x_1a, x_1b)) +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] | {Ti3^*}[Input3a]:[Input3b To^]) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = + ({Ti^*}[Inputa]:[Inputb To^]) +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + ((Degree-1) * + | Degree * {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + ( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +(* Binary Conversion *) +def x1 = (num+1)/2 - num/2 +def x2 = ((num/2)+1)/2 - num/4 +def x3 = ((num/4)+1)/2 - num/8 +def x4 = ((num/8)+1)/2 - num/16 + +def MSB(N) = +( N * AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, Tmsb_0, MSB_0a, MSB_0b) +| N * REPORTER(Tmsb_0, MSB_0a, MSB_0b) +| N * OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, Tmsb_1, MSB_1a, MSB_1b) +| N * REPORTER(Tmsb_1, MSB_1a, MSB_1b) +) + +def LSB1(N) = +( N * FANOUT2(T, x4_1a, x4_1b, Tx4_1o, x4_1oa, x4_1ob) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta1, a1a, a1b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta2, a2a, a2b) +| N * OR (Tx4_1o, x4_1oa, x4_1ob, T, x3_0a, x3_0b, Ta3, a3a, a3b) +| N * THREEINPUTAND(Tx4_1o, x4_1oa, x4_1ob, T, x3_1a, x3_1b, Ta2, a2a, a2b, Ta4, a4a, a4b) +| N * AND(Ta1, a1a, a1b, Ta3, a3a, a3b, Ta5, a5a, a5b) +| N * OR(Ta4, a4a, a4b, Ta5, a5a, a5b, Tlsb_1, LSB_1a, LSB_1b) +| N * REPORTER(Tlsb_1, LSB_1a, LSB_1b) +) + +def LSB0(N) = +( N * FANOUT2(T, x4_0a, x4_0b, Tx4_0o, x4_0oa, x4_0ob) +| N * OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, Ta6, a6a, a6b) +| N * AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, Ta7, a7a, a7b) +| N * AND (T, x3_1a, x3_1b, Tx4_0o, x4_0oa, x4_0ob, Ta8, a8a, a8b) +| N * THREEINPUTOR(Ta6, a6a, a6b, T, x3_0a, x3_0b, Tx4_0o, x4_0oa, x4_0ob, Ta9, a9a, a9b) +| N * OR(Ta7, a7a, a7b, Ta8, a8a, a8b, Ta10, a10a, a10b) +| N * AND(Ta9, a9a, a9b, Ta10, a10a, a10b, Tlsb_0, LSB_0a, LSB_0b) +| N * REPORTER(Tlsb_0, LSB_0a, LSB_0b) +) + +def Input() = +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +) + +def M0() = +def M1() = +def L0() = +def L1() = + + +def SQUAREROOT(N) = ( 0 * M0() | 0 * M1()| 0 * L0() | 0 * L1() | + Input() + | LSB0(N) | LSB1(N) | MSB(N) ) + +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Kim et al., Mol Syst Biol 2011 - Oscillator.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Kim et al., Mol Syst Biol 2011 - Oscillator.vdsd new file mode 100644 index 0000000..253743a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Kim et al., Mol Syst Biol 2011 - Oscillator.vdsd @@ -0,0 +1,158 @@ +directive compilation infinite +directive concentration nM +directive polymers +directive parameters [ + kTA21 = 74000.0e-9; + kTA12 = 14000.0e-9; + kAI1 = 53000.0e-9; + krAI1 = 24000.0e-9; + kAI2 = 31000.0e-9; + kTAI21 = 28000.0e-9; + kTAI12 = 140000.0e-9; + kAIrA1 = 28000.0e-9; + cRNaseH = 1.5e+1; + cRNAP = 1.25e+2; + kRNAP = 0.0323; + kRNaseH = 0.0196; + S = 0.02 + ] + +(*directive sweep S = [0.1,0.09,0.08,0.07,0.06,0.05,0.04,0.02,0.01]*) +directive sample 72000.0 1000 +directive simulation deterministicstiff +directive plot T21(); T12() (*; rI2(); A2() *) +dom ta2 = {bind = kTAI12; colour = "lightblue"} +dom a2 = {bind = kTA12; colour = "red"} +dom t = {bind = 0.0; colour = "blue"} (* negligible binding rate *) +dom p = {bind = 0.0; colour = "purple"} (* negligible binding rate *) +dom ta1 = {bind = kTAI21; colour = "darkgreen"} +dom a1 = {bind = kTA21; colour = "magenta" } +dom tdI1 = {bind = kAIrA1; colour = "black"} +dom AI1 = {bind = kAI1; subdomains = [p;a1;ta1]} +dom AI2 = {bind = kAI2; subdomains = [ta2;a2;t]} +dom rAI1 = {bind = krAI1; subdomains = [a1;ta1;tdI1]} +dom TA12 = {bind = kTA12; subdomains = [a2;t] } +dom TA21 = {bind = kTA21; subdomains = [t*;p;a1] } +(* +dom prom = {colour = "blue"} +dom h = {colour = "brown"} +dom trI2 = {colour = "lightgreen"} +*) + +new RNaseH new RNaseHA2rI2 new RNaseHrA1dI1 +new RNAP new RNAPT12A2 new RNAPT21A1 new RNAPT12 new RNAPT21 +def RNaseH() = +def RNaseHA2rI2() = +def RNaseHrA1dI1() = +def RNAP() = +def RNAPT12A2() = +def RNAPT21A1() = +def RNAPT12() = +def RNAPT21() = + +def rA1() = +def A1() = +def dI1() = +def A2() = +def rI2() = +def A2rI2() = [ta2^ a2^ t^] +def rA1dI1() = {p^*}[a1^ ta1^ tdI1^] +def A1dI1() = [p^ a1^ ta1^]{tdI1^*} +def T12() = [prom tra1 a1^ ta1^ tdI1^ t^ h] +def T12A2() = {ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h] +def T21() = [prom trI2 ta2^ a2^ t^ h] +def T21A1() = {ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h] +def T11A2() = {ta2^*}[a2^ t^]::[prom trI2 ta2^ a2^ t^ h] +def T11() = [prom trI2 ta2^ a2^ t^ h] + + +def kplus = 1.0e-1 +def kplusH = 1.0e-1 +def kminusON12 = 6.8 +def kminusOFF12 = 262.0 +def kminusON21 = 24.7 +def kminusOFF21 = 267.0 +def kminusH1 = 7.6 +def kminusH2 = 1.6 +def kcatON12 = 0.05 +def kcatOFF12 = 0.002 +def kcatON21 = 0.08 +def kcatOFF21 = 0.02 +def kcatH1 = 0.05 +def kcatH2 = 0.24 + +def KMH1 = (kminusH1 + kcatH1) / kplusH +def KMH2 = (kminusH2 + kcatH2) / kplusH +def KMON12 = (kminusON12 + kcatON12) / kplus +def KMON21 = (kminusON21 + kcatON21) / kplus +def KMOFF12 = (kminusOFF12 + kcatOFF12) / kplus +def KMOFF21 = (kminusOFF21 + kcatOFF21) / kplus + +def Activation() = +( 1.2e+2*T11() +| 5.0e+2*A2() +| 0*A2rI2() +| 0*T11A2() +| rxn A2rI2() ->{kRNaseH} A2() +| rxn T11A2() ->{kRNAP} T11A2() + rI2() +| 0*rI2() +) +def RNaseH_enzymatic() = +( 1.5e+1*RNaseH() +| rxn RNaseH() + A2rI2() <->{kplusH}{kminusH2} RNaseHA2rI2() +| rxn RNaseHA2rI2() ->{kcatH2} RNaseH() + A2() +| rxn RNaseH() + rA1dI1() <->{kplusH}{kminusH1} RNaseHrA1dI1() +| rxn RNaseHrA1dI1() ->{kcatH1} RNaseH() + dI1() +) +def RNaseH_firstorder() = +( rxn A2rI2() ->{S*kcatH2*cRNaseH/KMH2} A2() +| rxn rA1dI1() ->{S*kcatH1*cRNaseH/KMH1} dI1() +) +def RNAP_enzymatic() = +( 1.25e+2*RNAP() +| rxn RNAP() + T12A2() <->{kplus}{kminusON12} RNAPT12A2() +| rxn RNAPT12A2() ->{kcatON12} RNAP() + T12A2() + rA1() +| rxn RNAP() + T21A1() <->{kplus}{kminusON21} RNAPT21A1() +| rxn RNAPT21A1() ->{kcatON21} RNAP() + T21A1() + rI2() +| rxn RNAP() + T12() <->{kplus}{kminusOFF12} RNAPT12() +| rxn RNAPT12() ->{kcatOFF12} RNAP() + T12() + rA1() +| rxn RNAP() + T21() <->{kplus}{kminusOFF21} RNAPT21() +| rxn RNAPT21() ->{kcatOFF21} RNAP() + T21() + rI2() +) +def RNAP_firstorder() = +( rxn T12A2() ->{kcatON12*cRNAP/(KMON12 + cRNAP)} T12A2() + rA1() +| rxn T21A1() ->{kcatON21*cRNAP/(KMON21 + cRNAP)} T21A1() + rI2() +| rxn T12() ->{kcatOFF12*cRNAP/(KMOFF12 + cRNAP)} T12() + rA1() +| rxn T21() ->{kcatOFF21*cRNAP/(KMOFF21 + cRNAP)} T21() + rI2() +) +def System() = +( 1.2e+2*T12() +| 5.0e+2*A2() +| 2.5e+2*T21() +| 2.5e+2*A1() +| 1.0e+3*dI1() +| 0*rA1() +| 0*rI2() +| 0*A2rI2() +| 0*T12A2() +| 0*T21A1() +| 0*rA1dI1() +| 0*A1dI1() +| RNaseH_firstorder() +(* | RNaseH_enzymatic() *) +| RNAP_firstorder() +(* | RNAP_enzymatic() *) +) + +System() +(* Activation() *) + +(* +| RNaseH_enzymatic() +| RNaseH_firstorder() +| RNAP_enzymatic() +| RNAP_firstorder() + +System() +Activation() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Remote transmission lines.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Remote transmission lines.vdsd new file mode 100644 index 0000000..3c541f5 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Remote transmission lines.vdsd @@ -0,0 +1,32 @@ +(* Two 3-stator transmission lines on different origamis *) +directive sample 40000.0 1000 +directive simulation deterministicstiff +directive polymers +directive localconcentrations [ (a, 100000); (b, 100000) ] +directive plot input(); fuel(); probe(); reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom r = { colour = "purple" } +dom Q = { colour = "black" } +dom F = { colour = "black" } + +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami1() = [[ {tether(a) a0^*}[s]{y^> + | {tether(a,b) x^*}[s]{y^> + | {tether(b) x^*}[s] ]] +def origami2() = [[ {tether(a) b0^*}[s]{y^> + | {tether(a,b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]] +def reporter() = {s F^} + +( input() +| 4 * fuel() +| probe() +| origami1() +| origami2() +| 0 * reporter() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.vdsd new file mode 100644 index 0000000..cfd1fe3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.vdsd @@ -0,0 +1,30 @@ +(* Threshold-based spatial AND gate modified to add a reporter of output *) +directive sample 40000.0 1000 +directive polymers +directive simulation deterministicstiff +directive localconcentrations [ (a, 1000000); (b, 100000); (c, 1000000); (d, 100000) ] +directive plot reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom b0 = { colour = "purple" } +dom blank = { colour = "black" } + +def input1() = +def input2() = +def fuel() = [s*]{x^> +def probe() = [s*]{F} +def reporter() = {s F} +def origami() = [[ {tether(a,b) a0^*}[s]{y^> + | {tether(c,d) b0^*}[s]{y^> + | {tether(a,c) x^*}[s]{blank^> + | {tether(b,d) x^*}[s]{z^> ]] + +( input1() +(*| input2()*) +| 2 * fuel() +| probe() +| 0 * reporter() +| origami() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Threshold spatial AND.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Threshold spatial AND.vdsd new file mode 100644 index 0000000..2a2829f --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Threshold spatial AND.vdsd @@ -0,0 +1,25 @@ +(* Threshold-based spatial AND gate *) +directive sample 10000.0 1000 +directive polymers +directive simulation deterministicstiff +directive localconcentrations [ (a, 1000000); (b, 100000); (c, 1000000); (d, 100000) ] + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom b0 = { colour = "purple" } +dom blank = { colour = "black" } + +def input1() = +def input2() = +def fuel() = [s*]{x^> +def origami() = [[ {tether(a,b) a0^*}[s]{y^> + | {tether(c,d) b0^*}[s]{y^> + | {tether(a,c) x^*}[s]{blank^> + | {tether(b,d) x^*}[s]{y^> ]] + +( input1() +(*| input2()*) +| 3 * fuel() +| origami() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Transmission lines.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Transmission lines.vdsd new file mode 100644 index 0000000..32d1dc2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., DNA 2014 - Transmission lines.vdsd @@ -0,0 +1,28 @@ +(* 3-stator transmission line *) +directive sample 40000.0 1000 +directive simulation deterministicstiff +directive polymers +directive localconcentrations [ (a, 100000); (b, 100000) ] +directive plot input(); fuel(); probe(); reporter() + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom r = { colour = "purple" } +dom Q = { colour = "black" } +dom F = { colour = "black" } + +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami() = [[ {tether(a) a0^*}[s]{y^> + | {tether(a,b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]] +def reporter() = {s F^} + +( input() +| 2 * fuel() +| probe() +| origami() +| 0 * reporter() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Buffered oscillators.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Buffered oscillators.vdsd new file mode 100644 index 0000000..ea3a75b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Buffered oscillators.vdsd @@ -0,0 +1,37 @@ +directive sample 250000.0 1000 +directive plot sum(<_ t^ A>); sum(<_ t^ B>); sum(<_ t^ C>); + {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + +directive scale 100.0 +directive reltolerance 1e-4 + +def bind = 0.0003 +def unbind = 0.1126 +new t@bind,unbind + +(* Signal species A. *) +def Species(M, h, A) = M * + +(* Buffered join gate A + B -> C + D. *) +def BJ2x2(Buffer,Fuel,Init,A,B,C,D) = +new I new J new K new Ch new Dh +( Buffer * {t^*}[K t^]:[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] +| Fuel * +| Fuel * [J]{t^*} +| Fuel * [K]{t^*} +| (Init*10) * +| Init * ) + +(* Buffered three-phase oscillator (ABC). *) +def Buffer = 100 +def Init = 10 +def Fuel = 1000 +new Ah new A new Bh new B new Ch new C +( BJ2x2(Buffer, Fuel, Init, A, B, B, B) +| BJ2x2(Buffer, Fuel, Init, B, C, C, C) +| BJ2x2(Buffer, Fuel, Init, C, A, A, A) +| Species(2, Ah, A) +| Species(4, Bh, B) +| Species(2, Ch, C) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Join gates.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Join gates.vdsd new file mode 100644 index 0000000..512a5e2 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Join gates.vdsd @@ -0,0 +1,54 @@ +directive sample 2000000.0 1000 +directive plot sum(<_ t^ A>); sum(<_ t^ B>); sum(<_ t^ C>); + sum(<_ t^ D>); ; + {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; + {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I] +directive scale 100.0 + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new t@bind,unbind + +(* Signal species with history domain h and signal domain A. *) +def Species(M,h,A) = M * + +(* Buffered join gate A + B -> C + D. *) +def BJ2x2(Buffer,Fuel,Init,A,B,C,D) = + new I new J new K new Ch new Dh + ( Buffer * {t^*}[K t^]:[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * [K]{t^*} + | (Init*10) * + | Init * ) + +(* Unbuffered join gate (with garbage collection) A + B -> C + D. *) +def J2x2(Fuel, N, A, B, C, D) = + new I new J new K new Ch new Dh + ( N * {t^*}[ A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * {t^*}[K] + | (N*10) * ) + +(* ********** Examples ********** *) + +(* Single buffered reaction A + B -> C + D. *) +(* Set Buffer and Fuel to 100 when enabling leaks. *) +def Buffer = 1000 +def Fuel = 1000 +def Init = 1 + ( BJ2x2(Buffer, Fuel, Init, A, B, C, D) + | Species(1,hA,A) + | Species(1,hB,B) ) + +(* Single unbuffered reaction A + B -> C + D. *) +(* Set Fuel to 100 when enabling leaks. *) +(* +def Fuel = 1000 +def N = 1 +( J2x2(Fuel, N, A, B, C, D) +| Species(1,hA,A) +| Species(1,hB,B) ) +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Unbuffered oscillators.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Unbuffered oscillators.vdsd new file mode 100644 index 0000000..407c905 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin et al., Interface 2012 - Unbuffered oscillators.vdsd @@ -0,0 +1,34 @@ +directive sample 5000000.0 5000 +directive plot sum(<_ t^ A>); sum(<_ t^ B>); sum(<_ t^ C>); + {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^]; + {t^*}[B t^]:[C t^]:[Ch t^]:[Dh t^]; + {t^*}[C t^]:[A t^]:[Ch t^]:[Dh t^] + +directive scale 100.0 +directive reltolerance 1e-4 +directive simulation deterministicstiff + +def bind = 0.0003 (* /nM/s *) +def unbind = 0.1126 (* /s *) +new t@bind,unbind + +(* Signal species A. *) +def Species(M, h, A) = M * + +(* Unbuffered join gate (no GC) A + B -> C + D. *) +def J2x2_NoGC(Fuel, N, A, B, C, D) = +new I new J new K new Ch new Dh +( N * {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^] +| Fuel * +| (N*10) * ) + +(* Unbuffeed three-phase oscillator (ABC). *) +def N = 100 +def Fuel = 1000 +new Ah new A new Bh new B new Ch new C +( J2x2_NoGC(Fuel, N, A, B, B, B) +| J2x2_NoGC(Fuel, N, B, C, C, C) +| J2x2_NoGC(Fuel, N, C, A, A, A) +| Species(2, Ah, A) +| Species(4, Bh, B) +| Species(2, Ch, C) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin, Parker et al., Interface 2012 - Model-checking examples.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin, Parker et al., Interface 2012 - Model-checking examples.vdsd new file mode 100644 index 0000000..508b398 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Lakin, Parker et al., Interface 2012 - Model-checking examples.vdsd @@ -0,0 +1,207 @@ +(* *********************************************** *) + +(* *** USE INFINITE SEMANTICS *** *) +directive compilation infinite +directive sample 300000.0 1000 +directive plot ; ; + +directive leak 1.0e-9 (* 1.0 /M/s * 1.0e-9 nM *) (* /nM/s *) +directive scale 1.0 (* for stochastic simulation *) +def kt = 1.0e+6 (* /M/s *) +def exp_DeltaG_over_RT = 3.75479e-7 (* T=25C, DeltaG=-8.76 kcal/mol *) +def bind = kt*1.0e-9 (* /nM/s *) +def unbind = kt*exp_DeltaG_over_RT (* /s *) + +new t@bind,unbind + +(* *********************************************** *) + +(* Signal strand *) +def S(N, x) = N * + +(* Transducer gate - buggy, with GC *) +def T(N, x, y) = new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +(* Transducer gate - fixed, with GC *) +def T2(N, x, y) = new a new c +( N * +| N * +| N * {t^*}:[x t^]:[c]:[a t^]:[a] +| N * [x]:[t^ y]:[c]:[t^ a]:{t^*} ) + +(* Catalyst gate - with GC *) +def C(N,x,y,z) = new a new c +( N * {t^*}[x t^]:[y t^]:[c]:[a t^]:[a] +| N * +| N * [x]:[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| N * +) + +(* Catalyst gate - no GC *) +def C_NoGC(N,x,y,z) = new a new c +( N * {t^*}[x t^]:[y t^]:[c]:[a t^](*:[a]*) +| N * +| N * (*[x]:*)[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| N * +) + +(* Catalyst gate - no GC, using "constant" for fuels and waste *) +def C_NoGC_Constant(N,x,y,z) = new a new c +( constant N * {t^*}[x t^]:[y t^]:[c]:[a t^](*:[a]*) +| constant N * +| constant N * +| constant N * (*[x]:*)[t^ z]:[c]:[t^ y]:[t^ a]{t^*} +| constant N * +| constant N * [t^ x]:[t^ y]:[t^ c a]{t^*} (* 0? *) +| constant N * {t^*}[z c t^]:[y t^]:[a t^] (* 0? *) +| constant N * (* 0? *) +| constant N * (* 0? *) +| constant N * +) + +(* *********************************************** *) + +(* Example 1 - two buggy transducers in series *) +(* Increase N to see increased probability of correctness *) +(* *** DSD is OK up to N=4, crashes when N=5. *** *) + +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T(N, x0, x1) | T(N, x1, x2) ) + + +(* Example 2a - one corrected transducer (K=1) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 +def N = 1 +( S(N, x0) | T2(N, x0, x1) ) +*) + +(* Example 2b - two corrected transducers in series (K=2) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) ) +*) + +(* Example 2c - three corrected transducers in series (K=3) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) ) +*) + +(* Example 2d - four corrected transducers in series (K=4) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) ) +*) + +(* Example 2e - five corrected transducers in series (K=5) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) ) +*) + +(* Example 2f - six corrected transducers in series (K=6) *) +(* Don't modify N in this example *) +(* DSD can build this example. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) ) +*) + +(* Example 2g - seven corrected transducers in series (K=7) *) +(* Don't modify N in this example *) +(* This is the longest chain example you can build in DSD. *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) ) +*) + +(* Example 2h - eight corrected transducers in series (K=8) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) ) +*) + +(* Example 2i - nine corrected transducers in series (K=9) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) | T2(N, x8, x9) ) +*) + +(* Example 2j - ten corrected transducers in series (K=10) *) +(* Don't modify N in this example *) +(* *** DSD crashes on this example *** *) +(* +new x0 new x1 new x2 new x3 new x4 new x5 new x6 new x7 new x8 new x9 new x10 +def N = 1 +( S(N, x0) | T2(N, x0, x1) | T2(N, x1, x2) | T2(N, x2, x3) | T2(N, x3, x4) | T2(N, x4, x5) | T2(N, x5, x6) | T2(N, x6, x7) | T2(N, x7, x8) | T2(N, x8, x9) | T2(N, x9, x10) ) +*) + +(* *********************************************** *) + +(* Example 3 - catalyst gate with GC *) +(* Increase N to observe kinetics. *) +(* *** DSD is OK up to N=9, crashes when N=10. *** *) +(* +new x new y new z +def N = 9 +( S(N, x) | S(N, y) | C(N, x, y, z) ) +*) + +(* Example 4 - catalyst gate without GC *) +(* Increase N to observe kinetics *) +(* *** DSD is OK up to N=15, crashes when N=16. *** *) +(* +new x new y new z +def N = 15 +( S(N, x) | S(N, y) | C_NoGC(N, x, y, z) ) +*) + +(* *********************************************** *) + +(* Example 5 - approximate majority *) +(* Size of state space should be independent of N. *) +(* Modify InitialX and InitialY. *) +(* *** DSD is OK to InputX=3, InputY=3 if require InputX=InputY. *** *) +(* +new x new y new z new b +def Cat(N,x,y,z) = C_NoGC_Constant(N,x,y,z) +def InitialX = 3 +def InitialY = 3 +def N = 10000 +( C_NoGC_Constant(N,x,y,b) +| C_NoGC_Constant(N,y,x,b) +| C_NoGC_Constant(N,b,x,x) +| C_NoGC_Constant(N,b,y,y) +| InitialX * +| InitialY * ) +*) + +(* *********************************************** *) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - AND gate with nicks.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - AND gate with nicks.vdsd new file mode 100644 index 0000000..5185c85 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - AND gate with nicks.vdsd @@ -0,0 +1,32 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0; c = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( +in1*STRAND(T, Aa, Ab) +| in2*STRAND(T, Ba, Bb) +| AND(T, Aa, Ab, T, Ba, Bb, T, Ca, Cb) +| REPORTER(T, Ca, Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - AND gate.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - AND gate.vdsd new file mode 100644 index 0000000..bd0a086 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - AND gate.vdsd @@ -0,0 +1,30 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, s) = +def AND (Ti1, Input1, Ti2, Input2, To, Output) = {Ti1^*}[Input1 Ti2^]:[Input2 To^] +def REPORTER (Ti, Input) = {Ti^*}[Input] + +new T@ c0 * bind, unbind + +( +in1 * STRAND(T, A) +| in2 * STRAND(T, B) +| AND (T, A, T, B, T, C) +| REPORTER (T, C) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR gate with nicks.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR gate with nicks.vdsd new file mode 100644 index 0000000..189878d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR gate with nicks.vdsd @@ -0,0 +1,33 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^]) +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( +in1*STRAND(T, Aa, Ab) +| in2*STRAND(T, Ba, Bb) +| OR(T, Aa, Ab, T, Ba, Bb, T, Ca, Cb) +| REPORTER(T, Ca, Cb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR gate.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR gate.vdsd new file mode 100644 index 0000000..3e1b15c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR gate.vdsd @@ -0,0 +1,31 @@ +directive duration 18000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Different combinations of inputs *) +directive parameters [in1 = 0.0; in2 = 0.0; c0 = 50.0] +directive sweep mysweep = { in1 = [0.0, 1.0], in2 = [0.0, 1.0] } + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, s) = +def OR (Ti1, Input1, Ti2, Input2, To, Output) = ({Ti1^*}[Input1 To^] + | {Ti2^*}[Input2 To^]) +def REPORTER (Ti, Input) = {Ti^*}[Input] + +new T@ c0 * bind, unbind + +( +in1 * STRAND(T, A) +| in2 * STRAND(T, B) +| OR (T, A, T, B, T, C) +| REPORTER (T, C) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR of ANDs.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR of ANDs.vdsd new file mode 100644 index 0000000..e1a67be --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - OR of ANDs.vdsd @@ -0,0 +1,45 @@ +directive duration 720.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Defining speedup factor *) +directive parameters [c = 50.0] +directive sweep c = [50.0, 500.0, 5000.0, 50000.0, 500000.0, 5000000.0] + +(* Input settings, following (Si1 AND Si2) OR (Si3 AND Si4) *) +def Si1 = 0 +def Si2 = 0 +def Si3 = 0 +def Si4 = 1 + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] +) +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +new T@ c * bind, unbind + +( +Si1*STRAND(T, Aa, Ab) +| Si2*STRAND(T, Ba, Bb) +| Si3*STRAND(T, Ca, Cb) +| Si4*STRAND(T, Da, Db) +| AND(T, Aa, Ab, T, Ba, Bb, T, Ea, Eb) +| AND(T, Ca, Cb, T, Da, Db, T, Fa, Fb) +| OR(T, Ea, Eb, T, Fa, Fb, T, Ga, Gb) +| REPORTER(T, Ga, Gb) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - Square root.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - Square root.vdsd new file mode 100644 index 0000000..cc3a800 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - Square root.vdsd @@ -0,0 +1,159 @@ +directive duration 5000.0 points 1000 +directive simulation cme +directive compilation infinite +directive declare + +directive polymers +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot ; ; ; + +(* Defining speedup factor *) +directive parameters [c0 = 50.0;c = 50.0] +directive sweep c = [50.0, 500.0, 5000.0, 50000.0] (*, 500000.0, 5000000.0] *) + +(* Input number *) +def num = 0 + +(* Binary Conversion *) +def x1 = num % 2 def r1 = (num - x1) / 2 +def x2 = r1 % 2 def r2 = (r1 - x2) / 2 +def x3 = r2 % 2 def r3 = (r2 - x3) / 2 +def x4 = r3 % 2 + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def untetheredbind = c * bind +def untetheredunbind = unbind +def tetheredbind = c * bind +def tetheredunbind = unbind + +(* Definition of the OR, AND, FANOUT and WIRE gates, reporter complex and input strands *) +def STRAND (T, sa, sb) = + +def CIN = c0 / c +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = ( +constant CIN * (1.0-x) * STRAND(T, x_0a, x_0b) +| constant CIN * (x) * STRAND(T, x_1a, x_1b)) + +def OR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] ) + +def THREEINPUTOR (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = ({Ti1^*}[Input1a]:[Input1b To^] +| {Ti2^*}[Input2a]:[Input2b To^] +| {Ti3^*}[Input3a]:[Input3b To^] ) + +def AND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] + +def THREEINPUTAND (Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] + +def WIRE (Ti, Inputa, Inputb, To, Outputa, Outputb) = ({Ti^*}[Inputa]:[Inputb To^] ) + +def FANOUT (Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = ((Degree-1) * +| Degree * {Ti^*}[Inputa]:[Inputb To^]) + +def REPORTER (Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] + +def MSB1() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_1a new MSB_1b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, T, MSB_1a, MSB_1b) +| REPORTER(T, MSB_1a, MSB_1b) +) + +def MSB0() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_0a new MSB_0b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, T, MSB_0a, MSB_0b) +| REPORTER(T, MSB_0a, MSB_0b) +) + +def MSB() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new MSB_0a new MSB_0b new MSB_1a new MSB_1b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| AND (T, x3_0a, x3_0b, T, x4_0a, x4_0b, T, MSB_0a, MSB_0b) +| REPORTER(T, MSB_0a, MSB_0b) +| OR (T, x3_1a, x3_1b, T, x4_1a, x4_1b, T, MSB_1a, MSB_1b) +| REPORTER(T, MSB_1a, MSB_1b) +) + +def LSB1() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_1oa new x4_1ob new LSB_1a new LSB_1b +new a1a new a1b new a2a new a2b +new a3a new a3b new a4a new a4b +new a5a new a5b +new T@ untetheredbind, untetheredunbind +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| FANOUT(T, x4_1a, x4_1b, T, x4_1oa, x4_1ob, 2) +| OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, T, a1a, a1b) +| AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, T, a2a, a2b) +| OR (T, x4_1oa, x4_1ob, T, x3_0a, x3_0b, T, a3a, a3b) +| THREEINPUTAND(T, x4_1oa, x4_1ob, T, x3_1a, x3_1b, T, a2a, a2b, T, a4a, a4b) +| AND(T, a1a, a1b, T, a3a, a3b, T, a5a, a5b) +| OR(T, a4a, a4b, T, a5a, a5b, T, LSB_1a, LSB_1b) +| REPORTER(T, LSB_1a, LSB_1b) +) + +def LSB0() = +new x1_0a new x1_0b new x1_1a new x1_1b +new x2_0a new x2_0b new x2_1a new x2_1b +new x3_0a new x3_0b new x3_1a new x3_1b +new x4_0a new x4_0b new x4_1a new x4_1b +new x4_0oa new x4_0ob new LSB_0a new LSB_0b +new a6a new a6b new a7a new a7b +new a8a new a8b new a9a new a9b +new a10a new a10b +new T@ untetheredbind, untetheredunbind + +( INPUT (T, x4, x4_0a, x4_0b, x4_1a, x4_1b) +| INPUT (T, x3, x3_0a, x3_0b, x3_1a, x3_1b) +| INPUT (T, x2, x2_0a, x2_0b, x2_1a, x2_1b) +| INPUT (T, x1, x1_0a, x1_0b, x1_1a, x1_1b) +| FANOUT(T, x4_0a, x4_0b, T, x4_0oa, x4_0ob, 2) +| OR (T, x1_1a, x1_1b, T, x2_1a, x2_1b, T, a6a, a6b) +| AND (T, x1_0a, x1_0b, T, x2_0a, x2_0b, T, a7a, a7b) +| AND (T, x3_1a, x3_1b, T, x4_0oa, x4_0ob, T, a8a, a8b) +| THREEINPUTOR(T, a6a, a6b, T, x3_0a, x3_0b, T, x4_0oa, x4_0ob, T, a9a, a9b) +| OR(T, a7a, a7b, T, a8a, a8b, T, a10a, a10b) +| AND(T, a9a, a9b, T, a10a, a10b, T, LSB_0a, LSB_0b) +| REPORTER(T, LSB_0a, LSB_0b) +) + +def SQUAREROOT() = ( LSB0() | LSB1() | MSB() ) + +LSB1() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - Wires.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - Wires.vdsd new file mode 100644 index 0000000..d043b63 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Localization - Wires.vdsd @@ -0,0 +1,133 @@ +directive duration 10000.0 points 1000 +directive simulation cme +directive compilation infinite + +directive leaks +directive leak 1.0E-9*c +directive tau 1.0 (* Branch migraTon rate 1/s (from Zhang and Winfree 2009)*) + +(* Plots the reporter strand's concentration *) +directive plot + +(* Define parameters *) +directive parameters [ length=0.0; c=50.0 ] +directive sweep length = [0.0, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0] + +(* Binary Conversion *) +def num = 2.0**length +def x0 = num % 2 def r0 = (num - x0) / 2 +def x1 = r0 % 2 def r1 = (r0 - x1) / 2 +def x2 = r1 % 2 def r2 = (r1 - x2) / 2 +def x3 = r2 % 2 def r3 = (r2 - x3) / 2 +def x4 = r3 % 2 def r4 = (r3 - x4) / 2 +def x5 = r4 % 2 def r5 = (r4 - x5) / 2 +def x6 = r5 % 2 def r6 = (r5 - x6) / 2 +def x7 = r6 % 2 def r7 = (r6 - x7) / 2 +def x8 = r7 % 2 def r8 = (r7 - x8) / 2 +def x9 = r8 % 2 def r9 = (r8 - x9) / 2 + +(* Winfree's parameters*) +def bind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) +def unbind = 26.0 (* Short toehold dissociation rate constant 26/s *) + +def STRAND (T, sa, sb) = +def WIRE (T, Inputa, Inputb, To, Outputa, Outputb) = ({T^*}[Inputa]:[Inputb To^]) +def REPORTER (T, Inputa, Inputb) = {T^*}[Inputa Inputb] + +new T @ c * bind, unbind + +def WIRES0() = +( STRAND(T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES1() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES2() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES3() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES4() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES5() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES6() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, fa, fb) +| WIRE(T, fa, fb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES7() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, fa, fb) +| WIRE(T, fa, fb, T, ga, gb) +| WIRE(T, ga, gb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES8() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, fa, fb) +| WIRE(T, fa, fb, T, ga, gb) +| WIRE(T, ga, gb, T, ha, hb) +| WIRE(T, ha, hb, T, ra, rb) +| REPORTER(T, ra, rb) ) + +def WIRES9() = +( STRAND(T, aa, ab) +| WIRE(T, aa, ab, T, ba, bb) +| WIRE(T, ba, bb, T, ca, cb) +| WIRE(T, ca, cb, T, da, db) +| WIRE(T, da, db, T, ea, eb) +| WIRE(T, ea, eb, T, fa, fb) +| WIRE(T, fa, fb, T, ga, gb) +| WIRE(T, ga, gb, T, ha, hb) +| WIRE(T, ha, hb, T, ia, ib) +| WIRE(T, ia, ib, T, ra, rb) +| REPORTER(T, ra, rb) ) + +( x0 * WIRES0() +| x1 * WIRES1() +| x2 * WIRES2() +| x3 * WIRES3() +| x4 * WIRES4() +| x5 * WIRES5() +| x6 * WIRES6() +| x7 * WIRES7() +| x8 * WIRES8() +| x9 * WIRES9() ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Montagne et al., Mol Syst Biol 2011 - Oscillator.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Montagne et al., Mol Syst Biol 2011 - Oscillator.vdsd new file mode 100644 index 0000000..6d43079 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Montagne et al., Mol Syst Biol 2011 - Oscillator.vdsd @@ -0,0 +1,97 @@ +directive parameters + [ ka = 4.3333e-04 + ; kda = 0.0383 + ; kdb = 0.0135 + ; kdInhT1 = 9.5e-5 + ; kdInhT3 = 3.5e-5 + ; kpol = 0.2833 + ; kIpol = 0.1150 + ; knick = 0.05 + ; kexoa = 0.0053 + ; kexob = 0.0062 + ; kexoInh = 0.02 + ; ku = 0.0 + ] + +(*directive sweep s2 = {inh0 = [0.0,0.1,0.3,0.5,0.8,1.0]}*) +directive unproductive +directive simulation deterministicstiff +directive duration 100000.0 points 1000 +directive plot A(); B(); Inh() + +dom a = {bind = ka; unbind = kda; colour = "red"} +dom b = {bind = ka; unbind = kdb; colour = "green"} +dom inh = {bind = ka; unbind = kdInhT3; colour = "blue"} + +def Signal(x) = +def Primed(x,y) = [x^]{y^*} +def Extended(x,y) = [x^ y^] +def Template(x,y) = {x^* y^*} +def LHTemplate(x,y) = [x^]{y^*} +def RHTemplate(x,y) = {x^*}[y^] +def Nicked(x,y) = [x^]:[y^] +def Inhibited(x,y) = [y^ x^ y^] + +def Activation(N,x,y,kp,kn) = +( N * Template(x,y) +| rxn Primed(x,y) ->{kp} Extended(x,y) +| rxn Extended(x,y) ->{kn} Nicked(x,y) +| rxn Nicked(x,y) ->{kp} Extended(x,y) + Signal(y) +| 0*Primed(x,y) +| 0*Extended(x,y) +| 0*Nicked(x,y) +) +def Repression(N,x,y,kp,kn) = +( Activation(N,y,y,kp,kn) +| rxn Signal(x) + Template(y,y) <->{ka,kdInhT1} Inhibited(x,y) +| rxn Signal(x) + LHTemplate(y,y) <->{ka,ku} Inhibited(x,y) + Signal(y) +| rxn Signal(x) + RHTemplate(y,y) <->{ka,ku} Inhibited(x,y) + Signal(y) +| 0*Inhibited(x,y) +) +def Exo(x,k) =(rxn Signal(x) ->{k} ) +def A() = Signal(a) +def B() = Signal(b) +def Inh() = Signal(inh) +def Oscillator() = +( 0.1 * A() +| 0.1 * B() +| 0.1 * Inh() +| Activation(5.0,a,b,kpol,knick) +| Activation(30.0,b,inh,kIpol,knick) +| Repression (30.0,inh,a,kpol,knick) +| Exo(a,kexoa) +| Exo(b,kexob) +| Exo(inh,kexoInh) +) +def Catalysis() = +( 0.1 * A() +| 0.1 * B() +| Activation(5.0,a,b,kpol,knick) +) + +Oscillator() + + +(* +Oscillator() +Catalysis() + +(Signal(A) | Activation(1.0,A,A) | Exo(A)) + +(inh0 * Signal(Inh) +|0.01 * Signal(A) +| Repression(1.0,Inh,A)) + + +(0.1 * Signal(A) +|0.1 * Signal(B) +|0.1 * Signal(C) +| Activation(1.0,A,B) +| Activation(1.0,B,C) +| Repression (10.0,C,A) +| Exo(A) +| Exo(B) +| Exo(C) +) + +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Nature Nanotech 2013 - Consensus Modules.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Nature Nanotech 2013 - Consensus Modules.vdsd new file mode 100644 index 0000000..0f542f7 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Nature Nanotech 2013 - Consensus Modules.vdsd @@ -0,0 +1,232 @@ +directive sample 12*3600.0 1000 +directive compilation infinite +directive simulation deterministic +directive declare +directive time s +directive concentration nM +directive plot ; ; + +directive parameters [ +(* Rates *) +ka,(1.0e-5,2.0e-3),0.0003,log,random; +kq,(1.0e-5,2.0e-3),0.0003,log,random; +kr,(1.0e-5,2.0e-3),0.0003,log,random; +kb,(1.0e-5,2.0e-3),0.0003,log,random; +kc,(1.0e-5,2.0e-3),0.0003,log,random; +ua,(1.0e-4,2.0e+1),0.1,log,fixed; +ub,(1.0e-4,2.0e+1),0.1,log,fixed; +ur,(1.0e-4,2.0e+1),0.1,log,fixed; +uq,(1.0e-4,2.0e+1),0.1,log,fixed; +uc,(1.0e-4,2.0e+1),0.1,log,fixed; +kt,(1.0e-5,2.0e-3),0.0003,log,random; +ku1,(1.0e-5,2.0e-3),0.0003,log,random; +ku2,(1.0e-5,2.0e-3),0.0003,log,random; +ku3,(1.0e-5,2.0e-3),0.0003,log,random; +ut,(1.0e-4,2.0e+1),0.1,log,fixed; +uu1,(1.0e-4,2.0e+1),0.1,log,fixed; +uu2,(1.0e-4,2.0e+1),0.1,log,fixed; +uu3,(1.0e-4,2.0e+1),0.1,log,fixed; + +(* Concentrations *) +X = 50.0; NG = 75.0; NH = 100.0; NR = 150.0; (* Default *) +Xv = 40.0; NGv = 120.0; NHv = 120.0; NRv = 120.0; (* Reversibles *) +Xh = 10.0; NGh = 15.0; NHh = 20.0; NRh = 30.0; (* Halves *) +Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; (* Intermediates *) +Xr = 1.0; NRr = 3.0; (* Reporters *) +Xm = 40.0; NGm = 80.0; NHm = 80.0; NRm = 120.0; (* Consensus *) + +(* Leak parameters *) +leakXY2B_J,(0.0,0.1),0.01,real,fixed; badXY2B_X,(0.0,0.3),0.01,real,fixed; +leakXY2B_F,(0.0,0.1),0.01,real,fixed; badXY2B_Y,(0.0,0.3),0.01,real,fixed; +leakBX2X_J,(0.0,0.1),0.01,real,fixed; badBX2X_B,(0.0,0.3),0.01,real,fixed; +leakBX2X_F,(0.0,0.1),0.01,real,fixed; badBX2X_X,(0.0,0.3),0.01,real,fixed; +leakBY2Y_J,(0.0,0.1),0.01,real,fixed; badBY2Y_B,(0.0,0.3),0.01,real,fixed; +leakBY2Y_F,(0.0,0.1),0.01,real,fixed; badBY2Y_Y,(0.0,0.3),0.01,real,fixed; + +leakJoinBX_B,(0.0,0.1),0.01,real,fixed; badJoinBX_B,(0.0,0.3),0.01,real,fixed; +leakJoinBX_X,(0.0,0.1),0.01,real,fixed; badJoinBX_X,(0.0,0.3),0.01,real,fixed; +leakJoinBX_H,(0.0,0.1),0.01,real,fixed; badJoinBX_H,(0.0,0.3),0.01,real,fixed; +leakJoinBY_B,(0.0,0.1),0.01,real,fixed; badJoinBY_B,(0.0,0.3),0.01,real,fixed; +leakJoinBY_Y,(0.0,0.1),0.01,real,fixed; badJoinBY_Y,(0.0,0.3),0.01,real,fixed; +leakJoinBY_H,(0.0,0.1),0.01,real,fixed; badJoinBY_H,(0.0,0.3),0.01,real,fixed; +leakJoinXY_X,(0.0,0.1),0.01,real,fixed; badJoinXY_X,(0.0,0.3),0.01,real,fixed; +leakJoinXY_Y,(0.0,0.1),0.01,real,fixed; badJoinXY_Y,(0.0,0.3),0.01,real,fixed; +leakJoinXY_H,(0.0,0.1),0.01,real,fixed; badJoinXY_H,(0.0,0.3),0.01,real,fixed; + +leakFork2B_R,(0.0,0.1),0.01,real,fixed; badFork2B_R,(0.0,0.3),0.01,real,fixed; +leakFork2B_H1,(0.0,0.1),0.01,real,fixed; badFork2B_H1,(0.0,0.3),0.01,real,fixed; +leakFork2B_H2,(0.0,0.1),0.01,real,fixed; badFork2B_H2,(0.0,0.3),0.01,real,fixed; +leakFork2X_R,(0.0,0.1),0.01,real,fixed; badFork2X_R,(0.0,0.3),0.01,real,fixed; +leakFork2X_H1,(0.0,0.1),0.01,real,fixed; badFork2X_H1,(0.0,0.3),0.01,real,fixed; +leakFork2X_H2,(0.0,0.1),0.01,real,fixed; badFork2X_H2,(0.0,0.3),0.01,real,fixed; +leakFork2Y_R,(0.0,0.1),0.01,real,fixed; badFork2Y_R,(0.0,0.3),0.01,real,fixed; +leakFork2Y_H1,(0.0,0.1),0.01,real,fixed; badFork2Y_H1,(0.0,0.3),0.01,real,fixed; +leakFork2Y_H2,(0.0,0.1),0.01,real,fixed; badFork2Y_H2,(0.0,0.3),0.01,real,fixed; + +leakJoinBX_R1,(0.0,0.1),0.01,real,fixed; badJoinBX_R1,(0.0,0.3),0.01,real,fixed; +leakJoinBX_R2,(0.0,0.1),0.01,real,fixed; badJoinBX_R2,(0.0,0.3),0.01,real,fixed; +leakJoinBX_R3,(0.0,0.1),0.01,real,fixed; badJoinBX_R3,(0.0,0.3),0.01,real,fixed; +leakJoinBY_R1,(0.0,0.1),0.01,real,fixed; badJoinBY_R1,(0.0,0.3),0.01,real,fixed; +leakJoinBY_R2,(0.0,0.1),0.01,real,fixed; badJoinBY_R2,(0.0,0.3),0.01,real,fixed; +leakJoinBY_R3,(0.0,0.1),0.01,real,fixed; badJoinBY_R3,(0.0,0.3),0.01,real,fixed; +leakJoinXY_R1,(0.0,0.1),0.01,real,fixed; badJoinXY_R1,(0.0,0.3),0.01,real,fixed; +leakJoinXY_R2,(0.0,0.1),0.01,real,fixed; badJoinXY_R2,(0.0,0.3),0.01,real,fixed; +leakJoinXY_R3,(0.0,0.1),0.01,real,fixed; badJoinXY_R3,(0.0,0.3),0.01,real,fixed +] + +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tc,c) = + +def Translator(r,tq) = +def InputR(a,tb) = +def OutputR(c,tr) = +def CatalystR(b,tr) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Rep_Fork(tc,c) = {tc^*}[c] +def Rep_Join(r,tq) = [r]{tq^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join_ABRev(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork_C(i,tc,c,tr,r,tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i,tc,c,tb,b,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} + +(* Module definitions *) +def Join(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) +) +def JoinRev(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_ABRev(ta,a,tb,b,tr,r,tq) +| NG*Leak * Input(ta,a) +| NA * Translator(r,tq) +| NB * CatalystR(b,tr) +| NH * InputR(a,tb) +| NV * Helper(tr,r) +| NV * Catalyst(tb,b) +) +def Fork(N,NH1,NH2,NG,Leak,i,tc,c,tr,r,tq) = +( NG*(1.0-Leak) * Fork_C(i,tc,c,tr,r,tq) +| NG*Leak * Output(tc,c) +| N * Translator(r,tq) +| NH1 * OutputR(c,tr) +| NH2 * End(i,tc) +| 0 * Helper(tr,r) +) +def Fork2(N,NH1,NH2,NH3,NG,Leak,i,tc,c,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Fork_BC(i,tc,c,tb,b,tr,r,tq) +| NG*Leak * Output(tc,c) +| N * Translator(r,tq) +| NH1 * CatalystR(b,tr) +| NH2 * OutputR(c,tb) +| NH3 * End(i,tc) +| 0 * Helper(tr,r) +| 0 * Catalyst(tb,b) +) +def Fork3(N,NH1,NH2,NH3,NH4,NG,Leak,i,td,d,tc,c,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) +| N * Translator(r,tq) +| NH1 * Output1R(b,tr) +| NH2 * Output2R(c,tb) +| NH3 * Output3R(d,tc) +| NH4 * End(i,td) +| 0 * Helper(tr,r) +) +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * Rep_Join(r,tq) +| 0 * Signal_Join(fl,r) +) +def RepFork(N,NR,tc,c) = +( N * Output(tc,c) +| NR * Rep_Fork(tc,c) +| 0 * Signal_Fork(c,fl) +) + +(* DNA domains *) +dom t = {seq = CTGATC; bind=kt; unbind=ut} +dom u1 = {seq = CTTCAG; bind=ku1; unbind=ut} +dom u2 = {seq = CCATAC; bind=ku2; unbind=ut} +dom u3 = {seq = ATACCC; bind=ku3; unbind=ut} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} + +(* Components *) +def RepJoinBX(NR) = RepJoin(0.0,NR,rbx,u1) +def RepJoinBY(NR) = RepJoin(0.0,NR,rby,u1) +def RepJoinXY(NR) = RepJoin(0.0,NR,rxy,u1) +def RepJoinRevB(NR) = RepFork(0.0,NR,t,b) +def RepJoinRevX(NR) = RepFork(0.0,NR,t,x) +def JoinBX(NB,NX,NH,NG,Leak) = Join(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = Join(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = Join(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def JoinBXRev(NB,NX,NH,NG,Leak) = JoinRev(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBYRev(NB,NY,NH,NG,Leak) = JoinRev(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXYRev(NX,NY,NH,NG,Leak) = JoinRev(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def Fork2B(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) | RepFork(NG*Leak,NR,u3,pb) ) +def ForkXY2B(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) | RepFork(NG*Leak,NR,t,b) ) +def Fork2X(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1) | RepFork(NG*Leak,NR,u3,px) ) +def Fork2Y(NT,NH1,NH2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1) | RepFork(NG*Leak,NR,u3,py) ) + +(* Circuits that have been measured *) +def JoinBX_AddB(N) = ( JoinBX(N*Xi*(1.0-badJoinBX_B),NMi,NMi,NGi,leakJoinBX_B) | RepJoinBX(NRi) ) +def JoinBX_AddX(N) = ( JoinBX(NMi,N*Xi*(1.0-badJoinBX_X),NMi,NGi,leakJoinBX_X) | RepJoinBX(NRi) ) +def JoinBX_AddH(N) = ( JoinBX(NMi,NMi,N*Xi*(1.0-badJoinBX_H),NGi,leakJoinBX_H) | RepJoinBX(NRi) ) +def JoinBY_AddB(N) = ( JoinBY(N*Xi*(1.0-badJoinBY_B),NMi,NMi,NGi,leakJoinBY_B) | RepJoinBY(NRi) ) +def JoinBY_AddY(N) = ( JoinBY(NMi,N*Xi*(1.0-badJoinBY_Y),NMi,NGi,leakJoinBY_Y) | RepJoinBY(NRi) ) +def JoinBY_AddH(N) = ( JoinBY(NMi,NMi,N*Xi*(1.0-badJoinBY_H),NGi,leakJoinBY_H) | RepJoinBY(NRi) ) +def JoinXY_AddX(N) = ( JoinXY(N*Xi*(1.0-badJoinXY_X),NMi,NMi,NGi,leakJoinXY_X) | RepJoinXY(NRi) ) +def JoinXY_AddY(N) = ( JoinXY(NMi,N*Xi*(1.0-badJoinXY_Y),NMi,NGi,leakJoinXY_Y) | RepJoinXY(NRi) ) +def JoinXY_AddH(N) = ( JoinXY(NMi,NMi,N*Xi*(1.0-badJoinXY_H),NGi,leakJoinXY_H) | RepJoinXY(NRi) ) + +def Fork2B_AddR(N) = ( Fork2B(N*Xi*(1.0-badFork2B_R ),NMi,NMi,NMi,NMi,NGi,leakFork2B_R,NRi) ) +def Fork2B_AddH1(N) = ( Fork2B(NMi,N*Xi*(1.0-badFork2B_H1),NMi,NMi,NMi,NGi,leakFork2B_H1,NRi) ) +def Fork2B_AddH2(N) = ( Fork2B(NMi,NMi,N*Xi*(1.0-badFork2B_H2),NMi,NMi,NGi,leakFork2B_H2,NRi) ) +def Fork2X_AddR(N) = ( Fork2X(N*Xi*(1.0-badFork2X_R ),NMi,NMi,NMi,NMi,NGi,leakFork2X_R,NRi) ) +def Fork2X_AddH1(N) = ( Fork2X(NMi,N*Xi*(1.0-badFork2X_H1),NMi,NMi,NMi,NGi,leakFork2X_H1,NRi) ) +def Fork2X_AddH2(N) = ( Fork2X(NMi,NMi,N*Xi*(1.0-badFork2X_H2),NMi,NMi,NGi,leakFork2X_H2,NRi) ) +def Fork2Y_AddR(N) = ( Fork2Y(N*Xi*(1.0-badFork2Y_R ),NMi,NMi,NMi,NMi,NGi,leakFork2Y_R,NRi) ) +def Fork2Y_AddH1(N) = ( Fork2Y(NMi,N*Xi*(1.0-badFork2Y_H1),NMi,NMi,NMi,NGi,leakFork2Y_H1,NRi) ) +def Fork2Y_AddH2(N) = ( Fork2Y(NMi,NMi,N*Xi*(1.0-badFork2Y_H2),NMi,NMi,NGi,leakFork2Y_H2,NRi) ) + +def JoinBX_AddRev1(N) = ( JoinBXRev(NMi,NMi,N*Xi*(1.0-badJoinBX_R1),NGi,leakJoinBX_R1) | RepJoinRevB(NRi) ) +def JoinBX_AddRev2(N) = ( JoinBXRev(NMi,N*Xi*(1.0-badJoinBX_R2),NMi,NGi,leakJoinBX_R2) | RepJoinRevB(NRi) ) +def JoinBX_AddRev3(N) = ( JoinBXRev(N*Xi*(1.0-badJoinBX_R3),NMi,NMi,NGi,leakJoinBX_R3) | RepJoinRevB(NRi) ) +def JoinBY_AddRev1(N) = ( JoinBYRev(NMi,NMi,N*Xi*(1.0-badJoinBY_R1),NGi,leakJoinBY_R1) | RepJoinRevB(NRi) ) +def JoinBY_AddRev2(N) = ( JoinBYRev(NMi,N*Xi*(1.0-badJoinBY_R2),NMi,NGi,leakJoinBY_R2) | RepJoinRevB(NRi) ) +def JoinBY_AddRev3(N) = ( JoinBYRev(N*Xi*(1.0-badJoinBY_R3),NMi,NMi,NGi,leakJoinBY_R3) | RepJoinRevB(NRi) ) +def JoinXY_AddRev1(N) = ( JoinXYRev(NMi,NMi,N*Xi*(1.0-badJoinXY_R1),NGi,leakJoinXY_R1) | RepJoinRevX(NRi) ) +def JoinXY_AddRev2(N) = ( JoinXYRev(NMi,N*Xi*(1.0-badJoinXY_R2),NMi,NGi,leakJoinXY_R2) | RepJoinRevX(NRi) ) +def JoinXY_AddRev3(N) = ( JoinXYRev(N*Xi*(1.0-badJoinXY_R3),NMi,NMi,NGi,leakJoinXY_R3) | RepJoinRevX(NRi) ) + +def XY2B(Nx,Ny,X,NH,NG,NR) = ( JoinXY(X*Nx*(1.0-badXY2B_X),X*Ny*(1.0-badXY2B_Y),NH,NG,leakXY2B_J) | ForkXY2B(0.0,NH,NH,NH,NH,NG,leakXY2B_F,NR) ) +def BX2X(N,X,NH,NG,NR) = ( JoinBX(X*(1.0-badBX2X_B),X*N*(1.0-badBX2X_B),NH,NG,leakBX2X_J) | Fork2X(0.0,NH,NH,NH,NH,NG,leakBX2X_F,NR) ) +def BY2Y(N,X,NH,NG,NR) = ( JoinBY(X*(1.0-badBY2Y_B),X*N*(1.0-badBY2Y_B),NH,NG,leakBY2Y_J) | Fork2Y(0.0,NH,NH,NH,NH,NG,leakBY2Y_F,NR) ) +def AM(Nx,Ny) = ( XY2B(Nx,Ny,Xm,NHm,NGm,NRm) | BX2X(0.0,0.0,NHm,NGm,NRm) | BY2Y(0.0,0.0,NHm*1.2,NGm*1.2,NRm) | NHm * 0.8 * ) + +(* Specify circuit regime *) +def N = 0.4 +def Nx = 0.3 +def Ny = 0.7 +JoinBX_AddRev3(N) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Nature Nanotech 2013 - Consensus Parameterized.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Nature Nanotech 2013 - Consensus Parameterized.vdsd new file mode 100644 index 0000000..3adc68e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Nature Nanotech 2013 - Consensus Parameterized.vdsd @@ -0,0 +1,122 @@ +directive sample 15.0*3600.0 500 +directive compilation infinite +directive declare +directive simulation deterministic +directive plot ; ; + +directive parameters [ + (* Rates *) + kF1_YY = 4.3095e-06; + kJ1 = 7.9236e-06; + kJ1r = 8.2974e-05; + kJ2 = 1.2138e-04; + kJ2r = 1.0223e-06; + kJ3 = 5.0160e-04; + kJ3r = 1.0123e-06; + kF1 = 1.2721e-05; + kF1r = 2.3276e-04; + kF2 = 5.6530e-05; + kF2r = 1.2561e-04; + kF3 = 7.4418e-05; + kF3r = 1.0293e-06; + kF4 = 1.3428e-06; + kF5 = 9.7709e-04; + + (* Concentrations *) + X = 80.0; NG = 160.0; NH = 160.0; + + (* Initial conditions *) + Nx = 0.7; + + (* Leak parameters *) + leakXY2B_J = 0.0172; leakXY2B_F = 0.0090; + leakBX2X_J = 0.0114; leakBX2X_F = 2.2677e-06; + leakBY2Y_J = 0.0105; leakBY2Y_F = 0.0154; + badXY2B_X = 3.5686e-05; badXY2B_Y = 7.6834e-05; + badBX2X_B = 0.1504; badBX2X_X = 0.1195; + badBY2Y_B = 1.0204e-05; badBY2Y_Y = 0.2500 + ] + +(* Sweep over different input values *) +directive sweep mysweep = { Nx = [0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9] } + +new t@0.0,0.0 new u1@0.0,0.0 new u2@0.0,0.0 new u3@0.0,0.0 +new b new x new y new rbx new rby new rxy +new pb new px new py new ig +new fl@0.0,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = + +def Translator(r,tq) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Join(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def JoinAB(NA,NB,NH,NG,NV,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) +| rxn + Join(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join1(ta,a,tb,b,tr,r,tq) +| rxn + Join1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join2(ta,a,tb,b,tr,r,tq) +| rxn + Join2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join3(ta,a,tb,b,tr,r,tq) +) +def ForkXYZ(N,NH1,NH2,NH3,NH4,NG,Leak,i,tz,z,ty,y,tx,x,tr,r,tq,k1) = +( NG*(1.0-Leak) * Fork(i,tz,z,ty,y,tx,x,tr,r,tq) +| N * Translator(r,tq) +| NH1 * Output1R(x,tr) +| NH2 * Output2R(y,tx) +| NH3 * Output3R(z,ty) +| NH4 * End(i,tz) +| rxn + Fork(i,tz,z,ty,y,tx,x,tr,r,tq) <->{k1,kF1r} + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork1(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF2,kF2r} + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork2(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF3,kF3r} + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork3(i,tz,z,ty,y,tx,x,tr,r,tq) <->{kF4,kF2r} + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) +| rxn + Fork4(i,tz,z,ty,y,tx,x,tr,r,tq) ->{kF5} Fork5(i,tz,z,ty,y,tx,x,tr,r,tq) + +) + +(* Components *) +def JoinBX(NB,NX,NH,NG,Leak) = JoinAB(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB,NY,NH,NG,Leak) = JoinAB(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX,NY,NH,NG,Leak) = JoinAB(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def ForkBB(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF1) +def ForkXX(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF1) +def ForkYY(NT,NH1,NH2,NH3,NH4,NG,Leak) = ForkXYZ(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF1_YY) + +(* Circuits *) +def XY2B(Nx,Ny,X,NH,NG) = +( JoinXY(X*Nx*(1.0-badXY2B_X),X*Ny*(1.0-badXY2B_Y),NH,NG,leakXY2B_J) +| ForkBB(0.0,NH,NH,NH,NH,NG,leakXY2B_F) ) +def BX2X(N,X,NH,NG) = +( JoinBX(X*(1.0-badBX2X_B),X*N*(1.0-badBX2X_B),NH,NG,leakBX2X_J) +| ForkXX(0.0,NH,NH,NH,NH,NG,leakBX2X_F) ) +def BY2Y(N,X,NH,NG) = +( JoinBY(X*(1.0-badBY2Y_B),X*N*(1.0-badBY2Y_B),NH,NG,leakBY2Y_J) +| ForkYY(0.0,NH,NH,NH,NH,NG,leakBY2Y_F) ) +def AM() = +( XY2B(Nx,1.0-Nx,X,NH,NG) +| BX2X(0.0,0.0,NH,NG) +| BY2Y(0.0,0.0,NH*1.2,NG*1.2) +| NH * 0.8 * ) + +(* Specify circuit regime *) +def N = 0.4 +(*BX2X(N,X,NH,NG)*) +AM() \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Parameter Inference - Join + Reporter.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Parameter Inference - Join + Reporter.vdsd new file mode 100644 index 0000000..4f75a51 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Parameter Inference - Join + Reporter.vdsd @@ -0,0 +1,77 @@ +directive sample 6000.0 1000 +directive compilation infinite +directive simulation deterministic +directive time s +directive concentration nM +directive plot <_ fl^>; + +directive event inB * 10.0 * N * (1.0-badJoinBX_B) @ T1 +directive event inRepR * 4.0 * N * (1.0-badRepR) @ T1_Rep + +directive parameters [ + kint,(1.0e-5,1.0e-3),0.00003,log,random; + kextL,(1.0e-5,1.0e-3),0.0001,log,random; + kextR,(1.0e-5,1.0e-3),0.0003,log,random; + + JoinOn = 0.0; ForkOn = 0.0; NRepJ = 0.0; NRepF = 0.0; NMi = 100.0; NG = 30.0; + inB = 0.0; inX = 0.0; inH = 0.0; inRepL = 0.0; inRepR = 0.0; + inR = 0.0; inH1 = 0.0; inH2 = 0.0; + + leakJoinBX_B,(0.0,0.05),0.001,real,random; + badJoinBX_B,(0.0,0.3),0.0,real,random; + badRepR,(0.0,0.3),0.2,real,random; + + T1,(0.0,1800.0),600.0,real,random; + T1_Rep,(0.0,1800.0),600.0,real,random; + N,(0.0,1.0),0.6,real,fixed +] + +(* Directives for parameter inference *) +directive fit_run { burnin = 5000 + ; samples = 20000 + ; thin = 5 } +directive sweep sweepJoin_AddB = { N = [0.0,0.2,0.4,0.6], inB = [1.0], JoinOn = [1.0], NRepJ = [30.0] } +directive fit { sweepJoin_AddB; Join_Simulated; } +directive sweep sweepRepR = { N = [0.2,0.4,0.6,0.8], inRepR = [1.0], NRepJ = [30.0] } +directive fit { sweepRepR; Rep_Simulated; } + +new fl@0.0,0.0 +new tb@kextL,0.0 +new tx@kint,0.0 +new trbx@kint,0.0 +new u1@kextR,0.0 +new u2@kint,0.0 +new u3@kint,0.0 +new tF2@kint,0.0 +new tF4@kint,0.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Translator(x,tx) = +def Signal(c,fl) = +def Rep(tx,x) = {tx^*}[x] +def InputR(h,th) = +def CatalystR(h,th) = +def HelperR(r,tr) = +def Output(tz,z) = +def SignalR(fl,c) = +def RepR(x,tx) = [x]{tx^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Fork_ABC(i,tc,c,tb,b,ta,a,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[ta^ a]:[tr^ r]{tq^*} + +def Join(NA,NB,NH,NG,Leak,ta,a,tb,b,tr,r,tq) = +( NG*(1.0-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| NG*Leak * Translator(r,tq) +| NA * Input(ta,a) +| NB * Catalyst(tb,b) +| NH * Helper(tr,r) ) + +def RepJoin(N,NR,r,tq) = +( N * Translator(r,tq) +| NR * RepR(r,tq) +| 0 * SignalR(fl,r) ) + +( RepJoin(0.0,NRepJ,rbx,u1) +| JoinOn * Join((1.0-inB)*NMi,(1.0-inX)*NMi,(1.0-inH)*NMi,NG,inB*leakJoinBX_B,tb,b,tx,x,trbx,rbx,u1) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Parameter Inference - Reporter.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Parameter Inference - Reporter.vdsd new file mode 100644 index 0000000..62fb763 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Parameter Inference - Reporter.vdsd @@ -0,0 +1,25 @@ +directive sample 6000.0 1000 +directive compilation infinite +directive simulation deterministic +directive plot +directive event 4.0 * N * (1.0-bad) @ T1 +directive parameters [ + k,(1.0e-5,2.0e-3),0.0003,log,random; + bad,(0.0,0.3),0.2,real,random; + T1,(0.0,1800.0),600.0,real,random; + N=0.6 + ] + +(* Directives for parameter inference *) +directive fit_run { burnin = 2000 + ; samples = 10000 + ; thin = 10 } +directive sweep sweepRepR = { N = [0.2,0.4,0.6,0.8] } +directive fit { sweepRepR; Rep_Simulated; } + +new fl@0.0,0.0 +new u1@k,0.0 + +( 0.0 * +| 0.0 * +| 30.0 * [rbx]{u1^*} ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Scienze 2007 - Catalytic Directives.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Scienze 2007 - Catalytic Directives.vdsd new file mode 100644 index 0000000..0832d9d --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Scienze 2007 - Catalytic Directives.vdsd @@ -0,0 +1,15 @@ +(* A simple catalytic circuit based on Zhang (Science 2007), demonstrating each directive. *) +directive duration 7000.0 points 1000 +directive leak 1.0E-9 (* default leakage rate /nM/s *) +directive tau 0.1126 (* default merged rate /s *) +directive migrate 8000.0 (* default nucleotide migration rate /s *) +directive lengths 6 20 (* default toehold and normal domain lengths *) +directive tolerance 1.0E-6 (* default ODE tolerance for deterministic simulator *) +directive plot <2 3^ 4>; <4 5^>; <1 2>; <6 3^ 4>; <1>[2]:<6>[3^ 4]{5^*} (* plot a subset of gates and strands *) +directive scale 500.0 (* multiply concentrations, divide binding and leak rates *) +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Scienze 2007 - Catalytic.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Scienze 2007 - Catalytic.vdsd new file mode 100644 index 0000000..4fd67dc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Scienze 2007 - Catalytic.vdsd @@ -0,0 +1,9 @@ +(* A simple catalytic circuit based on Zhang (Science 2007).*) +directive duration 7000.0 points 1000 +directive scale 500.0 +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - AND Circuit.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - AND Circuit.vdsd new file mode 100644 index 0000000..8c263ac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - AND Circuit.vdsd @@ -0,0 +1,16 @@ +directive sample 1000000.0 1000 +directive plot <1^ 2>; <3 4^>; <2 3> +directive scale 100.0 +def N1 = 1 +def N2 = 1 +def N = 10 +def Input1() = <1^ 2> +def Input2() = <3 4^> +def Output() = <2 3> +def AND() = {1^*}[2 3]{4^*} + +( N1*Input1() +| N2*Input2() +| N*AND() +| 0*Output() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Hairpin-free HCR.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Hairpin-free HCR.vdsd new file mode 100644 index 0000000..78a88fc --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Hairpin-free HCR.vdsd @@ -0,0 +1,13 @@ +directive duration 10000.0 +directive simulation jit +directive polymers +def XS = 1000 +def N = 3 + +( (* Initiator *) +| N * {t^*}[a u^]{b*} (* Monomer 1 *) +| XS * [a]{u^*} (* Collector 1 *) +| XS * [b] (* Collector 2 *) +| N * [b t^] (* Monomer 2 *) +(*|{u^* b*} (* Initiator 2 *)*) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Migrations.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Migrations.vdsd new file mode 100644 index 0000000..2358636 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Migrations.vdsd @@ -0,0 +1,6 @@ +(* Example demonstrating the branch migration rate *) +directive compilation detailed +directive duration 1.0 points 1000 +( 1000 * [a1]:[a2 a3] +| 1000 * [b1]:[b2]:[b3] +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Monomers.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Monomers.vdsd new file mode 100644 index 0000000..c8514ac --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Simple - Monomers.vdsd @@ -0,0 +1,5 @@ +(* Example of the JIT state space expansion with a 5-monomer self-assembling chain. *) +directive duration 1000.0 points 100 +directive simulation jit +directive polymers +( 5 * {t^*}:[x]:[y]:: ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Square root - Qian and Winfree 4 bit square root circuit.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Square root - Qian and Winfree 4 bit square root circuit.vdsd new file mode 100644 index 0000000..8eac98a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Square root - Qian and Winfree 4 bit square root circuit.vdsd @@ -0,0 +1,329 @@ +(* Qian and Winfree 4 bit square root circuit *) +(* Simulate in Finite mode with Stochastic simulator withouts leaks and unproductive reactions *) + +(* Simulate for 10 hours and collect 10000 data points*) +directive duration 36000.0 points 10000 + +(* Simulate a population of 1000 molecules *) +directive scale 20.0 + +(* Plot the outputs *) +directive plot <_ _ _ y2_0> (* y2^0 *) +directive plot < _ _ _ y2_1> (* y2^1 *) +directive plot <_ _ _ y1_0> (* y1^0 *) +directive plot <_ _ _ y1_1> (* y1^1 *) + +(* Rates at 25 C from the Qian and Winfree 2011 (page 48 SI) *) +(* Long toeholds bind fast and unbind slowly while short toeholds bind slow and unbind faster*) +directive toeholds 2.0E-3 1.3 (* Long toehold binding rate 2x10^-3 /nM/s, unbinding rates 1.3/s*) +directive leak 1.0E-8 (* Leak rate 10^-8 /nM/s *) +directive tau 1.0 (* Branch migration rate 1/s (from Zhang and Winfree 2009)*) +def shorttoeholdunbind = 26.0 (* Short toehold dissociation rate constant 26/s *) +def shorttoeholdbind = 5.0E-5 (* Short toehold binding rate constant 5x10^-5/nM/s *) + +(* Short toehold *) +dom t={seq = TCT; bind=shorttoeholdbind; unbind=shorttoeholdunbind} +(* All other toeholds are long and have the default rates set in the toeholds directive above *) + +dom S1 = {seq=CATCCATTCCACTCA} +dom S2 = {seq=CAAAACAAAACCTCA} +dom S3 = {seq=CACCCTAAAATCTCA} +dom S4 = {seq=CACATAACAACCACA } +dom S5L = {seq=CACC} +dom S5 = {seq=ACCAAAC} +dom S5R = {seq=TTCA } +dom S6 = {seq=CATAACACAATCACA} +dom S7L = {seq=CAAC} +dom S7 = {seq=ATATCAA} +dom S7R = {seq=TTCA } +dom S8 = {seq=CACTAACATACAACA } +dom S9L = {seq=CACC} +dom S9 = {seq=ATCAAAT} +dom S9R = {seq=AACA} +dom S10 = {seq=CATACAACATCTACA } +dom S11L = {seq=CAAT} +dom S11 = {seq=ATCCATA} +dom S11R = {seq=ACCA } +dom S12L = {seq=CATC} +dom S12 = {seq=AATCAAC} +dom S12R = {seq=ACCA} +dom S13L = {seq=CACA} +dom S13 = {seq=ACTCATT} +dom S13R = {seq=ACCA } +dom S14L = {seq=CATT} +dom S14 = {seq=ATTCAAA} +dom S14R = {seq=CCCA } +dom S15L = {seq=CACA} +dom S15 = {seq=CTATAAT} +dom S15R = {seq=TCCA} +dom S16L = {seq=CACT} +dom S16 = {seq=TCATAAA} +dom S16R = {seq=TCCA } +dom S17L = {seq=CAAC} +dom S17 = {seq=TCCTAAT} +dom S17R = {seq=ATCA } +dom S18L = {seq=CATC} +dom S18 = {seq=TTCTAAC} +dom S18R = {seq=ATCA} +dom S19L = {seq=CACC} +dom S19 = {seq=TCTTAAA} +dom S19R = {seq=CACA } +dom S20L = {seq=CAAT} +dom S20 = {seq=CTAACAC} +dom S20R = {seq=TCCA } +dom S21L = {seq=CAAC} +dom S21 = {seq=CATACTA} +dom S21R = {seq=AACA} +dom S22L = {seq=CATT} +dom S22 = {seq=CCTACAT} +dom S22R = {seq=TTCA } +dom S23L = {seq=CAAA} +dom S23 = {seq=TCTTCAT} +dom S23R = {seq=CCCA } +dom S24 = {seq=CACTCATCCTTTACA} +dom S25 = {seq=CAATTCACTCAATCA } +dom S26 = {seq=CATTCATTACCTCCA } +dom S27 = {seq=CAAACACTCTATTCA} +dom S28L = {seq=CATC} +dom S28 = {seq=TACAATT} +dom S28R = {seq=CACA } +dom S29L = {seq=CACC} +dom S29 = {seq=AATACTC} +dom S29R = {seq=CTCA } +dom S30L = {seq=CACC} +dom S30 = {seq=ATTACAA} +dom S30R = {seq=TCCA} +dom S31L = {seq=CAAT} +dom S31 = {seq=CCACACT} +dom S31R = {seq=TCCA } +dom S32L = {seq=CACA} +dom S32 = {seq=CTTCAAA} +dom S32R = {seq=CTCA } +dom S33L = {seq=CAAC} +dom S33 = {seq=TCAAACA} +dom S33R = {seq=TACA} +dom S34L = {seq=CACA} +dom S34 = {seq=TAACAAA} +dom S34R = {seq=ACCA } +dom S35L = {seq=CACT} +dom S35 = {seq=CTCCATC} +dom S35R = {seq=ACCA } +dom S36L = {seq=CAAA} +dom S36 = {seq=CTAAACA} +dom S36R = {seq=ACCA} +dom S37L = {seq=CACC} +dom S37 = {seq=TCTTCCC} +dom S37R = {seq=TTCA } +dom S38L = {seq=CATA} +dom S38 = {seq=CCCTTTT} +dom S38R = {seq=CTCA } +dom S39L = {seq=CACT} +dom S39 = {seq=ATACACA} +dom S39R = {seq=CCCA} +dom S40L = {seq=CAAT} +dom S40 = {seq=ACAAATC} +dom S40R = {seq=CACA } +dom S41L = {seq=CAAC} +dom S41 = {seq=AAACCAT} +dom S41R = {seq=TACA } +dom S42L = {seq=CACT} +dom S42 = {seq=TTTCACT} +dom S42R = {seq=ATCA} +dom S43L = {seq=CATC} +dom S43 = {seq=ATACCTA} +dom S43R = {seq=CTCA } +dom S44L = {seq=CAAA} +dom S44 = {seq=ACTCTCT} +dom S44R = {seq=CTCA } +dom S45L = {seq=CACC} +dom S45 = {seq=CAAAACC} +dom S45R = {seq=CACA} +dom S46L = {seq=CAAA} +dom S46 = {seq=CCCAACT} +dom S46R = {seq=CACA } +dom S47L = {seq=CATT} +dom S47 = {seq=CTCCCAC} +dom S47R = {seq=CTCA } +dom S48L = {seq=CATC} +dom S48 = {seq=ACCACTA} +dom S48R = {seq=TACA} +dom S49L = {seq=CATC} +dom S49 = {seq=CTTAACT} +dom S49R = {seq=CCCA } +dom S50L = {seq=CATT} +dom S50 = {seq=ACCAACC} +dom S50R = {seq=ACCA } +dom S51L = {seq=CACA} +dom S51 = {seq=AACTACA} +dom S51R = {seq=TCCA} +dom S52L = {seq=CACT} +dom S52 = {seq=TCACAAC} +dom S52R = {seq=TACA } +dom S53L = {seq=CATA} +dom S53 = {seq=TCTAATC} +dom S53R = {seq=TCCA } +dom fL = {seq=CATT} +dom f = {seq=TTTTTTT} +dom fR = {seq=TTCA} + +(* Set concentration with 1x = 50 nM *) +def N = 5 (* 0.1x standard concentration *) +def OFF = 1*N (* logic OFF value = 0.1, conc = 5 nM *) +def ON = 9*N (* logic ON value = 0.9, conc = 45 nM*) + +(* a seesaw signal *) +def signal(N,(iL,i,iR),(jL,j,jR)) = ( N * ) + +(* a seesaw gate with signal bound by the left side *) +def gateL(N,(iL,i,iR),(jL,j,jR)) = ( N * {t^*}:[iL^ i iR^ t^] ) + +(* a seesaw gate with signal bound by the right side *) +def gateR(N,(iL,i,iR),(jL,j,jR)) = ( N * [t^ jL^ j jR^]:{t^*} ) + +(* a seesaw threshold with signal coming in from the left side *) +def thresholdL(N,(iL,i,iR),(jL,j,jR)) = ( N * {iR^* t^*}[jL^ j jR^] ) + +(* a seesaw threshold with signal coming in from the right side *) +def thresholdR(N,(iL,i,iR),(jL,j,jR)) = ( N * [iL^ i iR^]{t^* jL^*} ) + +(* a seesaw reporter *) +def reporter(N,(iL,i,iR),Fluor) = ( N * {t^*}:[iL^ i iR^] ) + +def F = (fL,f,fR) + + +(* 2-input 2-output seesaw OR gate *) +def seesawOR2I2O(I1,I2,K1,K2) = +( gateL(20*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| gateL(10*N,I2,K2) +| signal(40*N,I2,F)) + +(* 2-input 2-output seesaw AND gate *) +def seesawAND2I2O(I1,I2,K1,K2) = +( gateL(20*N,I1,I2) +| thresholdL(12*N,I1,I2) +| gateL(10*N,I2,K1) +| gateL(10*N,I2,K2) +| signal(40*N,I2,F)) + +(* 2-input 1-output seesaw OR gate *) +def seesawOR2I1O(I1,I2,K1) = +( gateL(20*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 2-input 1-output seesaw AND gate *) +def seesawAND2I1O(I1,I2,K1) = +( gateL(20*N,I1,I2) +| thresholdL(12*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 3-input 1-output seesaw AND gate *) +def seesawAND3I1O(I1,I2,K1) = +( gateL(30*N,I1,I2) +| thresholdL(22*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* 3-input 1-output seesaw OR gate *) +def seesawOR3I1O(I1,I2,K1) = +( gateL(30*N,I1,I2) +| thresholdL(6*N,I1,I2) +| gateL(10*N,I2,K1) +| signal(20*N,I2,F)) + +(* input fanout gate with 3 outputs *) +def inputfanout3O(J,I,K1,K2,K3) = +( thresholdL(2*N,J,I) +| gateL(10*N,I,K1) +| gateL(10*N,I,K2) +| gateL(10*N,I,K3) +| signal(60*N,I,F)) + +(* reporter with signal restoration *) +def reporterREST(I1,I2,I3) = +( gateL(10*N,I1,I2) +| thresholdL(4*N,I1,I2) +| gateL(10*N,I2,I3) +| signal(20*N,I2,F)) + + + +def X5 = (S5L,S5,S5R) +def X7 = (S7L,S7,S7R) +def X9 = (S9L,S9,S9R) +def X11 = (S11L,S11,S11R) +def X12 = (S12L,S12,S12R) +def X13 = (S13L,S13,S13R) +def X14 = (S14L,S14,S14R) +def X15 = (S15L,S15,S15R) +def X16 = (S16L,S16,S16R) +def X17 = (S17L,S17,S17R) +def X18 = (S18L,S18,S18R) +def X19 = (S19L,S19,S19R) +def X20 = (S20L,S20,S20R) +def X21 = (S21L,S21,S21R) +def X22 = (S22L,S22,S22R) +def X23 = (S23L,S23,S23R) +def X28 = (S28L,S28,S28R) +def X29 = (S29L,S29,S29R) +def X30 = (S30L,S30,S30R) +def X31 = (S31L,S31,S31R) +def X32 = (S32L,S32,S32R) +def X33 = (S33L,S33,S33R) +def X34 = (S34L,S34,S34R) +def X35 = (S35L,S35,S35R) +def X36 = (S36L,S36,S36R) +def X37 = (S37L,S37,S37R) +def X38 = (S38L,S38,S38R) +def X39 = (S39L,S39,S39R) +def X40 = (S40L,S40,S40R) +def X41 = (S41L,S41,S41R) +def X42 = (S42L,S42,S42R) +def X43 = (S43L,S43,S43R) +def X44 = (S44L,S44,S44R) +def X45 = (S45L,S45,S45R) +def X46 = (S46L,S46,S46R) +def X47 = (S47L,S47,S47R) +def X48 = (S48L,S48,S48R) +def X49 = (S49L,S49,S49R) +def X50 = (S50L,S50,S50R) +def X52 = (S52L,S52,S52R) +new S54L new S54 new S54R +def X54 = (S54L,S54,S54R) + + +(* 4 bit square root circuit in dual rail: Input set to 4 = 0100 *) +( signal(ON,X5,X22) (* x1^0 *) +| signal(OFF,X7,X20) (* x1^1 *) +| signal(ON,X9,X22) (* x2^0 *) +| signal(OFF,X11,X20) (* x2^1 *) +| signal(OFF,X12,X13) (* x3^0 *) +| signal(ON,X14,X15) (* x3^1 *) +| signal(ON,X16,X17) (* x4^0 *) +| signal(OFF,X18,X19) (* x4^1 *) +| seesawOR2I2O(X20,X21,X38,X40) +| seesawAND2I2O(X22,X23,X36,X42) +| seesawOR2I1O(X28,X29,X40) +| seesawAND2I1O(X30,X31,X42) +| seesawAND2I1O(X32,X33,X48) +| seesawOR2I1O(X34,X35,X50) +| seesawAND3I1O(X36,X37,X46) +| seesawOR3I1O(X38,X39,X44) +| seesawAND2I1O(X40,X41,X46) +| seesawOR2I1O(X42,X43,X44) +| seesawAND2I1O(X44,X45,X52) +| seesawOR2I1O(X46,X47,X54) +| inputfanout3O(X12,X13,X28,X32,X38) +| inputfanout3O(X14,X15,X30,X34,X36) +| inputfanout3O(X16,X17,X30,X32,X38) +| inputfanout3O(X18,X19,X28,X34,X36) +| reporter(15*N,X48,y2_0) +| reporter(15*N,X50,y2_1) +| reporter(15*N,X52,y1_0) +| reporter(15*N,X54,y1_1) +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Stack Machine, DNA17 - Ripple carry adder.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Stack Machine, DNA17 - Ripple carry adder.vdsd new file mode 100644 index 0000000..781a3c4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Stack Machine, DNA17 - Ripple carry adder.vdsd @@ -0,0 +1,324 @@ +directive sample 10000000.0 1000000 +directive compilation infinite +directive simulation jit +directive polymers +directive plot sum(<_ T^ pS1>); sum(<_ T^ pS2>); sum(<_ ^ pS3>); +sum(<_ T^ pS4>); sum(<_ T^ pS5>); sum(<_ T^ pS6>); sum(<_ T^ pS7>); +sum(<_ T^ pS8>); sum(<_ T^ pS9>); sum(<_ T^ pS10>); sum(<_ T^ pS11>); +sum(<_ T^ pS12>); sum(<_ T^ pS13>); sum(<_ T^ pAcc>); sum(<_ T^ pRej>) + +(* Keep relatively large concentrations of fuels etc *) +def lots = 20 + +(* Need a special sequence to represent "bottom", a domain for sealing irreversible gates and a single toehold. *) +new mBot new pBot new T + +(* Fuel needed to edit a stack of type Z *) +def EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) = +(* Fuel strand 1 *) +( lots * +(* Fuel strand 2 *) +| lots * {GlueZ T^} +(* Backbone monomer 1 *) +| lots * [GlueZ* T^*] +(* Backbone monomer 2 *) +| lots * {T^}[mPopZ T^]:[pPushZ T^]{GlueZ} ) + +(* The empty stack of type Z *) +def EmptyStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 1 element. *) +def OneStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 2 elements (final argument at the top). *) +def TwoStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 3 elements (final argument at the top). *) +def ThreeStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY,mW,pW) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 4 elements (final argument at the top). *) +def FourStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY,mW,pW,mU,pU) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 5 elements (final argument at the top). *) +def FiveStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY,mW,pW,mU,pU,mR,pR) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 6 elements (final argument at the top). *) +def SixStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mX,pX,mY,pY,mW,pW,mU,pU,mR,pR,mP,pP) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 7 elements (final argument at the top). *) +def SevenStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mA,pA,mB,pB,mC,pC,mD,pD,mE,pE,mF,pF,mG,pG) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Stack of type Z containing 8 elements (final argument at the top). *) +def EightStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ,mA,pA,mB,pB,mC,pC,mD,pD,mE,pE,mF,pF,mG,pG,mH,pH) = +( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]: +[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} +| EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ) ) + +(* Element strand for stack type Z, carrying signal X *) +def Element(mX,mPushZ,pPushZ,pX) = + +(* Three-domain signal strand carrying signal X *) +def Signal(mX,pX) = + +(* Irreversible reaction (3+3 -> 3+3) [X+Y -> A+B] *) +def Irrev33x33(mX,pX,mY,pY, mA,pA,mB,pB) = new mA +(* Reaction gate *) +( lots * {T^*}[pX T^]:[pY T^]:[mA T^]:[mB T^] +(* Fuel *) +| lots * ) + +(* Irreversible reaction 5+3 -> 3+5 [X(Z1)+Y -> B+A(Z2)] *) +def Irrev53x35(mX,mPushZ1,pPushZ1,pX,mY,pY, mB,pB,mA,mPushZ2,pPushZ2,pA) = new mB +(* Reaction gate *) +( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] +(* Fuel *) +| lots * ) + +(* Irreversible reaction 5+3 -> 3+3 [X(Z1)+Y -> A+B] *) +def Irrev53x33(mX,mPushZ1,pPushZ1,pX,mY,pY, mA,pA,mB,pB) = new mA +(* Reaction gate *) +( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^]:[mB T^] +(* Fuel *) +| lots * ) + +(* Irreversible reaction 5+3 -> 3 [X(Z1)+Y -> A] *) +def Irrev53x3(mX,mPushZ1,pPushZ1,pX,mY,pY, mA,pA) = new mA +(* Reaction gate *) +( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^] +(* Fuel *) +| lots * ) + +(* Irreversible reaction 3+3 -> 3+5 [X+Y -> B+A(Z2)] *) +def Irrev33x35(mX,pX,mY,pY, mB,pB,mA,mPushZ2,pPushZ2,pA) = new mB +(* Reaction gate *) +( lots * {T^*}[pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] +(* Fuel *) +| lots * ) + +(* *** EXAMPLE - RIPPLE CARRY ADDER *** *) +new mPushA new pPushA new mPopA new pPopA new GlueA +new mPushB new pPushB new mPopB new pPopB new GlueB +new mPushC new pPushC new mPopC new pPopC new GlueC +new mPushX new pPushX new mPopX new pPopX new GlueX +new mZero new pZero new mOne new pOne +new mS1 new pS1 new mS2 new pS2 new mS3 new pS3 new mS4 new pS4 +new mS5 new pS5 new mS6 new pS6 new mS7 new pS7 new mS8 new pS8 +new mS9 new pS9 new mS10 new pS10 new mS11 new pS11 new mS12 new pS12 +new mS13 new pS13 new mAcc new pAcc new mRej new pRej + +(* Input stacks A and B for 2-bit example A (in binary, 00 + 00) *) +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mZero,pZero) + +(* Input stacks A and B for 2-bit example B (in binary, 00 + 01) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example C (in binary, 00 + 10) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example D (in binary, 00 + 11) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example E (in binary, 01 + 00) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example F (in binary, 01 + 01) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example G (in binary, 01 + 10) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example H (in binary, 01 + 11) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example I (in binary, 10 + 00) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example J (in binary, 10 + 01) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example K (in binary, 10 + 10) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example L (in binary, 10 + 11) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example M (in binary, 11 + 00) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example N (in binary, 11 + 01) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero,mOne,pOne) +*) + +(* Input stacks A and B for 2-bit example O (in binary, 11 + 10) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mZero,pZero) +*) + +(* Input stacks A and B for 2-bit example P (in binary, 11 + 11) *) +(* +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne,mOne,pOne) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne,mOne,pOne) +*) + +(* Input stacks A and B for 8-bit example (in decimal, 111+222=333) *) +(* +( EightStack(mPushA,pPushA,mPopA,pPopA,GlueA, mZero,pZero, mOne,pOne, mOne,pOne, mZero,pZero, mOne,pOne, mOne,pOne, mOne,pOne, mOne,pOne) +| EightStack(mPushB,pPushB,mPopB,pPopB,GlueB, mOne,pOne, mOne,pOne, mZero,pZero, mOne,pOne, mOne,pOne, mOne,pOne, mOne,pOne, mZero,pZero) +*) + +(* Input stacks A and B for stochastic simulation example from paper *) +(* +( OneStack(mPushA,pPushA,mPopA,pPopA,GlueA, mOne,pOne) +| OneStack(mPushB,pPushB,mPopB,pPopB,GlueB, mZero,pZero) +*) + +(* Initial carry-in and output stacks - always the same *) +| OneStack(mPushC,pPushC,mPopC,pPopC,GlueC,mZero,pZero) +| EmptyStack(mPushX,pPushX,mPopX,pPopX,GlueX) +(* Initial state strand and initial "instruction" strand *) +| Signal(mS1, pS1) | Signal(mPopA, pPopA) +(* State transition #1 -> #2 [Bot_A + S1 -> S2 + Pop_B] *) +| Irrev53x33(mBot,mPushA,pPushA,pBot,mS1,pS1, mS2,pS2,mPopB,pPopB) +(* State transition #1 -> #3 [One_A + S1 -> S3 + Pop_B] *) +| Irrev53x33(mOne,mPushA,pPushA,pOne,mS1,pS1, mS3,pS3,mPopB,pPopB) +(* State transition #1 -> #4 [Zero_A + S1 -> S4 + Pop_B] *) +| Irrev53x33(mZero,mPushA,pPushA,pZero,mS1,pS1, mS4,pS4,mPopB,pPopB) +(* State transition #2 -> ACC [Bot_B + S2 -> ACC] *) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS2,pS2, mAcc,pAcc) +(* State transition #2 -> REJ [One_B + S2 -> REJ] *) +| Irrev53x3(mOne,mPushB,pPushB,pOne,mS2,pS2, mRej,pRej) +(* State transition #2 -> REJ [Zero_B + S2 -> REJ] *) +| Irrev53x3(mZero,mPushB,pPushB,pZero,mS2,pS2, mRej,pRej) +(* State transition #3 -> REJ [Bot_B + S3 -> REJ] *) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS3,pS3, mRej,pRej) +(* State transition #3 -> #5 [One_B + S3 -> S5 + Pop_C] *) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS3,pS3, mS5,pS5,mPopC,pPopC) +(* State transition #3 -> #6 [Zero_B + S3 -> S6 + Pop_C] *) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS3,pS3, mS6,pS6,mPopC,pPopC) +(* State transition #4 -> REJ [Bot_B + S4 -> REJ] *) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS4,pS4, mRej,pRej) +(* State transition #4 -> #6 [One_B + S4 -> S6 + Pop_C] *) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS4,pS4, mS6,pS6,mPopC,pPopC) +(* State transition #4 -> #7 [Zero_B + S4 -> S7 + Pop_C] *) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS4,pS4, mS7,pS7,mPopC,pPopC) +(* State transition #5 -> REJ [Bot_C + S5 -> REJ] *) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS5,pS5, mRej,pRej) +(* State transition #5 -> #8 [One_C + S5 -> S8 + One_C] *) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS5,pS5, mS8,pS8,mOne,mPushC,pPushC,pOne) +(* State transition #5 -> #9 [Zero_C + S5 -> S9 + One_C] *) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS5,pS5, mS9,pS9,mOne,mPushC,pPushC,pOne) +(* State transition #6 -> REJ [Bot_C + S6 -> REJ] *) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS6,pS6, mRej,pRej) +(* State transition #6 -> #9 [One_C + S6 -> S9 + One_C] *) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS6,pS6, mS9,pS9,mOne,mPushC,pPushC,pOne) +(* State transition #6 -> #10 [Zero_C + S6 -> S10 + Zero_C] *) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS6,pS6, mS10,pS10,mZero,mPushC,pPushC,pZero) +(* State transition #7 -> REJ [Bot_C + S7 -> REJ] *) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS7,pS7, mRej,pRej) +(* State transition #7 -> #10 [One_C + S7 -> S10 + Zero_C] *) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS7,pS7, mS10,pS10,mZero,mPushC,pPushC,pZero) +(* State transition #7 -> #11 [Zero_C + S7 -> S11 + Zero_C] *) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS7,pS7, mS11,pS11,mZero,mPushC,pPushC,pZero) +(* State transition #8 -> #13 [Pop_C + S8 -> S13 + One_X] *) +| Irrev33x35(mPopC,pPopC,mS8,pS8, mS13,pS13,mOne,mPushX,pPushX,pOne) +(* State transition #9 -> #12 [Pop_C + S9 -> S12 + Zero_X] *) +| Irrev33x35(mPopC,pPopC,mS9,pS9, mS12,pS12,mZero,mPushX,pPushX,pZero) +(* State transition #10 -> #13 [Pop_C + S10 -> S13 + One_X] *) +| Irrev33x35(mPopC,pPopC,mS10,pS10, mS13,pS13,mOne,mPushX,pPushX,pOne) +(* State transition #11 -> #12 [Pop_C + S11 -> S12 + Zero_X] *) +| Irrev33x35(mPopC,pPopC,mS11,pS11, mS12,pS12,mZero,mPushX,pPushX,pZero) +(* State transition #12 -> #1 [Pop_X + S12 -> S1 + Pop_A] *) +| Irrev33x33(mPopX,pPopX,mS12,pS12, mS1,pS1,mPopA,pPopA) +(* State transition #13 -> #1 [Pop_X + S13 -> S1 + Pop_A] *) +| Irrev33x33(mPopX,pPopX,mS13,pS13, mS1,pS1,mPopA,pPopA) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Directives.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Directives.vdsd new file mode 100644 index 0000000..5e33aef --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Directives.vdsd @@ -0,0 +1,17 @@ +directive duration 6000.0 points 1000 +directive plot Input1(); Input2(); Output(); Signal() +directive scale 1.0 +directive compilation infinite +directive simulation deterministic +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Events.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Events.vdsd new file mode 100644 index 0000000..ec4fdd0 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Events.vdsd @@ -0,0 +1,20 @@ +directive duration 6000.0 points 1000 +directive plot Signal() +directive scale 10.0 +directive compilation infinite +directive simulation deterministicstiff +directive event N*10.0 @ T1 +directive parameters [ N = 1.0; T1 = 600.0 ] +directive sweep N = [0.0,0.2,0.4,0.6] +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Fit.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Fit.vdsd new file mode 100644 index 0000000..26b8873 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Fit.vdsd @@ -0,0 +1,39 @@ +directive duration 6000.0 points 1000 +directive duration 6000.0 points 1000 +directive plot Signal() +directive scale 10.0 +directive compilation infinite +directive simulation deterministic +directive parameters [ +N = 1.0; +ktb,(1.0e-5,2.0e-3),0.0003,log,random; +ktx,(1.0e-5,2.0e-3),0.0003,log,random; +kto,(1.0e-5,2.0e-3),0.0003,log,random; +T1,(0.0,1800.0),600.0,real,random +] + +(* Directives for parameter inference *) +(* Burn-in, runs, optimisation burn-in, optimisation of maximum likelihood,... *) +directive fit_run { burnin = 2000 + ; samples = 10000 + ; thin = 10 } +directive fit { s1; Join_Simulated; } +directive sweep s1 = {N = [0.0,0.2,0.4,0.6]} + +def ut = 0.1 +new tb@ktb,ut +new tx@ktx,ut +new to@kto,ut + +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0*Input1() +| 30*Input2() +| 30*Join() +| 30*Reporter() +| 0*Signal() +) diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Reporter Z3.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Reporter Z3.vdsd new file mode 100644 index 0000000..3cfa4f3 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Reporter Z3.vdsd @@ -0,0 +1,35 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Signal() +directive scale 1.0 + +directive predicates all + +predicate min1 = {Input1() < Input2()} (* Input1 is less than Input2 *) +predicate min2 = {Input1() >= Input2()} (* Input2 is less than or equal to Input1 *) +predicate out1 = {Signal() = Input1()@[0]} (* the amount of signal is equal to the initial Input1 *) +predicate out2 = {Signal() = Input2()@[0]} (* the amount of signal is equal to the initial Input2 *) +predicate MinFn = {min1 -> out1 and min2 -> out2} (* the signal is equal to the min input *) +predicate Error = {not MinFn} (* an error is encountered when the min is not computed *) + +query correctComputation = { +abstraction stutter; +Init@[0] and Terminal@[5] and ConservationOfMass@[5] and MinFn@[5] (* correct computation *) +} + +query errorComputation = { +abstraction connected; +Init@[0] and Terminal@[1] and ConservationOfMass@[1] and Error@[1] (* incorrect computation *) +} + +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 1*Input1() +| 1*Input2() +| 3*Join() +| 3*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Reporter.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Reporter.vdsd new file mode 100644 index 0000000..a466614 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join Reporter.vdsd @@ -0,0 +1,15 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Signal() +directive scale 10.0 +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10*Input1() +| 10*Input2() +| 100*Join() +| 100*Reporter() +| 0*Signal() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join.vdsd new file mode 100644 index 0000000..a12b0d4 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Tutorial, VEMDP 2014 - Join.vdsd @@ -0,0 +1,12 @@ +directive duration 10000.0 points 1000 +directive plot Input1(); Input2(); Output() +directive scale 10.0 +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +( 10*Input1() +| 10*Input2() +| 100*Join() +| 0*Output() +) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.vdsd new file mode 100644 index 0000000..d381541 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.vdsd @@ -0,0 +1,200 @@ +directive declare + directive simulation deterministicstiff + directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] + (* Circuit component settings *) + (* + directive duration 10000.0 points 1000 + directive plot X(); X'(); Y(); Y'(); R(); + E(); E'(); V(); V'() + *) + (* PI Controller settings *) + + directive duration 150000.0 points 1000 + directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + + directive event R'() 2.0*x0 @ 50000.0 + directive event R() 2.0*x0 @ 100000.0 + + (* + directive event 2.0 @ 50000.0 + directive event 1.0 @ 100000.0 + *) + + (* + directive duration 500000.0 points 1000 + directive event Signal'(r) 2*x0 @ 50000.0 + directive event Signal(r) 2*x0 @ 100000.0 + directive event Signal'(r) 2*x0 @ 150000.0 + directive event Signal(r) 2*x0 @ 200000.0 + directive event Signal'(r) 2*x0 @ 250000.0 + directive event Signal(r) 2*x0 @ 300000.0 + directive event Signal'(r) 2*x0 @ 350000.0 + directive event Signal(r) 2*x0 @ 400000.0 + directive event Signal'(r) 2*x0 @ 450000.0 + *) + + (*------------------ 2Domain DNA Strand Displacement ------------------*) + + directive compilation infinite + new t@kt,unbind + new u@ku,unbind + new x new x' new v new v' new y new y' new r new r' + new e new e' new load new load' new i + + def Signal((x,x')) = + def Degradation(k,(x,x')) = Cmax/k * {t^(c)*}[x] + def Annihilation((x,x')) = + ( Cmax * {t^*}[x t^]:[x'] + | Cmax * {t^*}[x' t^]:[x] + | Cmax * + | Cmax * + ) + def Catalysis(k,(x,x'),(y,y')) = + ( Cmax*k * {t^(c)*}[x u^]:[y u^]:[i] + | Cmax*k * [i]:[t^ x]{u^*} + | Cmax*k * [i]:[t^ y]{u^*} + | Cmax*k * + | Cmax*k * + | Cmax*k * + ) + def Signal'((x,x')) = Signal((x',x)) + def Degradation'(k,(x,x')) = Degradation(k,(x',x)) + def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) + def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) + def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) + + def x = (x,x') + def y = (y,y') + def v = (v,v') + def e = (e,e') + def r = (r,r') + + (*------------------ Blocks --------------------------------*) + def Catalysis2(k,x,y) = + ( Catalysis(k,x,y) + | Catalysis'(k,x,y) + ) + def Catalysis2Inv(k,x,y) = + ( CatalysisInv(k,x,y) + | CatalysisInv'(k,x,y) + ) + def Degradation2(k,x) = + ( Degradation(k,x) + | Degradation'(k,x) + ) + def Integration(kI,x,y) = Catalysis2(kI,x,y) + def Gain(k,kD,x,y) = + ( Catalysis2(k,x,y) + | Degradation2(kD,y) + ) + def Summation(k1,k2,kD,x1,x2,y) = + ( Catalysis2(k1,x1,y) + | Catalysis2(k2,x2,y) + | Degradation2(kD,y) + ) + def SummationInv(k1,k2,kD,x1,x2,y) = + ( Catalysis2(k1,x1,y) + | Catalysis2Inv(k2,x2,y) + | Degradation2(kD,y) + ) + def PI(kP,kI, r, y, v,e) = + ( SummationInv(1.0,1.0,1.0,r,y,e) + | Integration(kI,e,x) + | Summation(kP,1.0,1.0,e,x,v) + | Annihilation(x) + ) + def R() = Signal(r) + def R'() = Signal'(r) + def E() = Signal(e) + def E'() = Signal'(e) + def V() = Signal(v) + def V'() = Signal'(v) + def Y() = Signal(y) + def Y'() = Signal'(y) + def X() = Signal(x) + def X'() = Signal'(x) + def L() = + def L'() = + def Plant(v, y) = + ( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) + | rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) + | rxn Signal(y) ->{0.1} + | rxn Signal'(y) ->{0.1} + | rxn Signal'(y) + Signal(y) ->{0.1} + | rxn L() + Signal(y) ->{0.01} L() + | rxn L'() + Signal'(y) ->{0.01} L'() + | rxn L() + L'() ->{1.0} + ) + (*------------------ Full system ----------------------------*) + def System() = + ( 0 * V() | 0 * V'() + | 0 * Y() | 0 * Y'() + | 0 * L() | 0 * L'() + | x0* R() | 0 * R'() + | PI(1.0,1.0,r,y,v,e) + | Plant(v,y) + | Annihilation(r) + | Annihilation(v) + | Annihilation(e) + ) + (*------------------ Tests -----------------------------------*) + def TestAnnihilation() = + ( 2 * X() | X'() + | Annihilation(x) + ) + def TestCatalysis() = + ( X() | 0 * Y() + | Catalysis(1.0,x,y) + ) + def TestDegradation() = + ( X() | 0 * X'() + | Degradation(1.0,x) + ) + def TestGain() = + ( X() | 0 * Y() | 0 * Y'() + | Gain(1.0,2.0,x,y) + | Annihilation(y) + ) + def TestSummation() = + ( 2 * X() | E() | 0 * V() | 0 * V'() + | Summation(1.0,1.0,1.0,x,e,v) + | Annihilation(v) + ) + def TestSummationInv() = + ( 2 * Y() | R() | 0 * E() | 0 * E'() + | SummationInv(1.0,1.0,1.0,y,r,e) + | Annihilation(e) + ) + (*------------------ Run -------------------------------------*) + System() + (* + System() + TestAnnihilation() + TestCatalysis() + TestDegradation() + TestGain() + TestSummation() + TestSummationInv() + *) + + \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.vdsd new file mode 100644 index 0000000..8aea858 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.vdsd @@ -0,0 +1,211 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ 4Domain DNA Strand Displacement ------------------*) +(*directive toeholds 0.001 0.1126*) +directive compilation infinite + +dom x1 = {colour = "red"; bind = kt} dom x1' = {colour = "red"; bind = kt} +dom x3 = {colour = "red"; bind = kt} dom x3' = {colour = "red"; bind = kt} +dom r1 = {colour = "purple"; bind = kt} dom r1' = {colour = "purple"; bind = kt} +dom r3 = {colour = "purple"; bind = kt} dom r3' = {colour = "purple"; bind = kt} +dom e1 = {colour = "blue"; bind = kt} dom e1' = {colour = "blue"; bind = kt} +dom e3 = {colour = "blue"; bind = kt} dom e3' = {colour = "blue"; bind = kt} +dom v1 = {colour = "orange"; bind = kt} dom v1' = {colour = "orange"; bind = kt} +dom v3 = {colour = "orange"; bind = kt} dom v3' = {colour = "orange"; bind = kt} +dom y1 = {colour = "green"; bind = kt} dom y1' = {colour = "green"; bind = kt} +dom y3 = {colour = "green"; bind = kt} dom y3' = {colour = "green"; bind = kt} +dom load = {colour = "black"; bind = kt} dom load' = {colour = "black"; bind = kt} +dom load = {colour = "black"; bind = kt} dom load' = {colour = "black"; bind = kt} +dom t = {colour = "magenta"; bind = kt; unbind = unbind} + +new xh new x2 new xh' new x2' new vh new v2 new vh' new v2' new yh new y2 new yh' new y2' +new rh new r2 new rh' new r2' new eh new e2 new eh' new e2' + +def Signal0((xh,x1,x2,x3),x') = +def Degradation0(k,(xh,x1,x2,x3),x') = Cmax/k * {x1^(c)*}[x2 x3^] +def Annihilation0((xh,x1,x2,x3),(xh',x1',x2',x3')) = +( Cmax * {x1^*}[x2 x3^ x1'^]:[x2' x3'^] +| Cmax * +| Cmax * {x1'^*}[x2' x3'^ x1^]:[x2 x3^] +| Cmax * +) +def Catalysis0(k,(xh,x1,x2,x3),x',(yh,y1,y2,y3),y') = +( Cmax*k * {x1^(c)*}[x2 x3^] +| Cmax*k * {x3^*}[yh y1^]:[xh x1^] +) +def Signal((x,x')) = Signal0(x,x') +def Degradation(k,(x,x')) = Degradation0(k,x,x') +def Catalysis(k,(x,x'),(y,y')) = Catalysis0(k,x,x',y,y') +def Annihilation((x,x')) = Annihilation0(x,x') + +def Signal'((x,x')) = Signal((x',x)) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) + +def x = ((xh,x1,x2,x3),(xh',x1',x2',x3')) +def y = ((yh,y1,y2,y3),(yh',y1',y2',y3')) +def v = ((vh,v1,v2,v3),(vh',v1',v2',v3')) +def e = ((eh,e1,e2,e3),(eh',e1',e2',e3')) +def r = ((rh,r1,r2,r3),(rh',r1',r2',r3')) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.vdsd new file mode 100644 index 0000000..2d1440b --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.vdsd @@ -0,0 +1,204 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ CRN ------------------*) + +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' +def Signal((x,x')) = +def Signal'((x,x')) = Signal((x',x)) +def Degradation(k,x) = (rxn Signal(x) ->{deg/k}) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis(k,x,y) = (rxn Signal(x) ->{cat*k} Signal(x) + Signal(y)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) +def Annihilation(x) = (rxn Signal(x) + Signal'(x) ->{ann}) +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') + +(*--------- CRN [Catalytic Degradation] ----------*) +(* +directive sweep s1 = {ann = [0.1,0.01,0.001,0.0001]} +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' +def Signal((x,x')) = +def Signal'((x,x')) = Signal((x',x)) +def DegradationIdeal(k,x) = (rxn Signal(x) ->{deg/k} ) +def Degradation(k,x) = + ( rxn Signal(x) ->{deg/k} Signal(x) + Signal'(x) + | rxn Signal(x) + Signal'(x) ->{ann}) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis(k,x,y) = (rxn Signal(x) ->{cat*k} Signal(x) + Signal(y)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) +def Annihilation(x) = (rxn Signal(x) + Signal'(x) ->{ann}) +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') +*) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.vdsd new file mode 100644 index 0000000..504829a --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.vdsd @@ -0,0 +1,232 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ DNA Enzymes ------------------*) + +directive compilation default +directive unproductive + +dom x1 = {colour = "red"; bind = bind; unbind = unbind} +dom x2 = {colour = "red"; bind = bind; unbind = unbind} +dom r1 = {colour = "purple"; bind = bind; unbind = unbind} +dom r2 = {colour = "purple"; bind = bind; unbind = unbind} +dom e1 = {colour = "blue"; bind = bind; unbind = unbind} +dom e2 = {colour = "blue"; bind = bind; unbind = unbind} +dom v1 = {colour = "orange"; bind = bind; unbind = unbind} +dom v2 = {colour = "orange"; bind = bind; unbind = unbind} +dom y1 = {colour = "green"; bind = bind; unbind = unbind} +dom y2 = {colour = "green"; bind = bind; unbind = unbind} +dom load = {colour = "black"} +dom load' = {colour = "black"} +dom dx = {bind = ann; subdomains = [x1;x2]} +dom dr = {bind = ann; subdomains = [r1;r2]} +dom de = {bind = ann; subdomains = [e1;e2]} +dom dv = {bind = ann; subdomains = [v1;v2]} +dom dy = {bind = ann; subdomains = [y1;y2]} + +def Signal((x1,x2)) = +def Signal'((x1,x2)) = +def Template((x1,x2),(y1,y2)) = [x2^]:[y1^ y2^] +def Template'((x1,x2),(y1,y2)) = [x1^*]:[y2^* y1^*] +def TemplateOff((x1,x2),(y1,y2)) = {x2^*}[y1^ y2^] +def TemplateOff'((x1,x2),(y1,y2)) = {x1^}[y2^* y1^*] +def TemplateDS((x1,x2),(y1,y2)) = [x2^ y1^ y2^] +def TemplateDS'((x1,x2),(y1,y2)) = [x1^* y2^* y1^*] +def TemplateOffInv((x1,x2),(y1,y2)) = {x2^*}[y2^* y1^*] +def TemplateOffInv'((x1,x2),(y1,y2)) = {x1^}[y1^ y2^] +def TemplateInv((x1,x2),(y1,y2)) = [x2^]:[y2^* y1^*] +def TemplateInv'((x1,x2),(y1,y2)) = [x1^*]:[y1^ y2^] +def TemplateDSInv((x1,x2),(y1,y2)) = [x2^ y2^* y1^*] +def TemplateDSInv'((x1,x2),(y1,y2)) = [x1^* y1^ y2^] +def Ann((x1,x2)) = [x1^ x2^] + +def r = (r1,r2) +def e = (e1,e2) +def v = (v1,v2) +def y = (y1,y2) +def x = (x1,x2) + +def Catalysis(k,x,y) = +( Cmax*k * TemplateOff(x,y) +| rxn Template(x,y) ->{pol} TemplateDS(x,y) + Signal(y) +| rxn TemplateDS(x,y) ->{nick} Template(x,y) +| 0 * Template(x,y) | 0 * TemplateDS(x,y) +) +def Catalysis'(k,x,y) = +( Cmax*k * TemplateOff'(x,y) +| rxn Template'(x,y) ->{pol} TemplateDS'(x,y) + Signal'(y) +| rxn TemplateDS'(x,y) ->{nick} Template'(x,y) +) +def CatalysisInv(k,x,y) = +( Cmax*k * TemplateOffInv(x,y) +| rxn TemplateInv(x,y) ->{pol} TemplateDSInv(x,y) + Signal'(y) +| rxn TemplateDSInv(x,y) ->{nick} TemplateInv(x,y) +| 0 * TemplateInv(x,y) | 0 * TemplateDSInv(x,y) +) +def CatalysisInv'(k,x,y) = +( Cmax*k * TemplateOffInv'(x,y) +| rxn TemplateInv'(x,y) ->{pol} TemplateDSInv'(x,y) + Signal(y) +| rxn TemplateDSInv'(x,y) ->{nick} TemplateInv'(x,y) +) +def Annihilation(x) = 0*Ann(x) +def Degradation(k,x) = CatalysisInv(1.0/k,x,x) +def Degradation'(k,x) = CatalysisInv'(1.0/k,x,x) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.vdsd new file mode 100644 index 0000000..2d62dad --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.vdsd @@ -0,0 +1,250 @@ +directive declare +directive simulation deterministicstiff +directive parameters + [ deg = 0.0008 + ; cat = 0.0008 + ; pol = 0.0167 + ; nick = 0.0167 + ; x0 = 4.0 (* 4.0, 8.0 *) + ; ann = 0.01 (* 0.01, 0.001 *) + ; bind = 5.4e-6 + ; bind2 = 0.001 (* 0.001, 5.4e-6 *) + ; bind1 = 0.00005 + ; unbind = 0.1126 + ; Cmax = 1000.0 + ; c = 0.0008 + ; kt = 0.001 + ; ku = 0.001 + ; s = 2.0 + ] +(* Circuit component settings *) +(* +directive duration 10000.0 points 1000 +directive plot X(); X'(); Y(); Y'(); R(); +E(); E'(); V(); V'() +*) +(* PI Controller settings *) + +directive duration 150000.0 points 1000 +directive plot + sub (R(); R'()); + sub (V(); V'()); + sub (Y(); Y'()); + sub (L(); L'()) + +directive event R'() 2.0*x0 @ 50000.0 +directive event R() 2.0*x0 @ 100000.0 + +(* +directive event 2.0 @ 50000.0 +directive event 1.0 @ 100000.0 +*) + +(* +directive duration 500000.0 points 1000 +directive event Signal'(r) 2*x0 @ 50000.0 +directive event Signal(r) 2*x0 @ 100000.0 +directive event Signal'(r) 2*x0 @ 150000.0 +directive event Signal(r) 2*x0 @ 200000.0 +directive event Signal'(r) 2*x0 @ 250000.0 +directive event Signal(r) 2*x0 @ 300000.0 +directive event Signal'(r) 2*x0 @ 350000.0 +directive event Signal(r) 2*x0 @ 400000.0 +directive event Signal'(r) 2*x0 @ 450000.0 +*) +(*------------------ RNA Enzymes ------------------*) + +directive compilation infinite +def kbind = bind1 +dom x1 = {colour = "red"; bind = kbind; unbind = unbind} +dom x2 = {colour = "red"; bind = kbind; unbind = unbind} +dom r1 = {colour = "purple"; bind = kbind; unbind = unbind} +dom r2 = {colour = "purple"; bind = kbind; unbind = unbind} +dom e1 = {colour = "blue"; bind = kbind; unbind = unbind} +dom e2 = {colour = "blue"; bind = kbind; unbind = unbind} +dom v1 = {colour = "orange"; bind = kbind; unbind = unbind} +dom v2 = {colour = "orange"; bind = kbind; unbind = unbind} +dom y1 = {colour = "green"; bind = kbind; unbind = unbind} +dom y2 = {colour = "green"; bind = kbind; unbind = unbind} +dom t = {colour = "cyan"; bind = bind2; unbind = unbind} +dom u = {colour = "magenta"; bind = bind2; unbind = unbind} +dom rh = {colour = "brown"} +dom eh = {colour = "brown"} +dom vh = {colour = "brown"} +dom xh = {colour = "brown"} +dom yh = {colour = "brown"} +dom dx = {bind = ann; subdomains = [x1;x2]} +dom dr = {bind = ann; subdomains = [r1;r2]} +dom de = {bind = ann; subdomains = [e1;e2]} +dom dv = {bind = ann; subdomains = [v1;v2]} +dom dy = {bind = ann; subdomains = [y1;y2]} + +new rs new rs' new es new es' new vs new vs' +new xs new xs' new ys new ys' new load new load' new prom + +def Signal((x1,x2,xs,xs',xh)) = +def Signal'((x1,x2,xs,xs',xh)) = +def Template((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs* t^*]::[prom ys y1^ y2^ yh] +def Template'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs'* t^*]::[prom ys' y2^* y1^* yh] +def TemplateOff((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs*]::[prom ys y1^ y2^ yh] +def TemplateOff'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs'*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs'*]::[prom ys y1^ y2^ yh] +def TemplateInv((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs* t^*]::[prom ys' y2^* y1^* yh] +def TemplateInv'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs'* t^*]::[prom ys y1^ y2^ yh] +def Transducer((x1,x2,xs,xs',xh)) = [t^ xs]{x1^*} +def Transducer'((x1,x2,xs,xs',xh)) = [t^ xs']{x2^} +def TransducerRev((x1,x2,xs,xs',xh)) = {t^*}[xs x1^] +def TransducerRev'((x1,x2,xs,xs',xh)) = {t^*}[xs' x2^*] +def Rev((x1,x2,xs,xs',xh)) = +def Rev'((x1,x2,xs,xs',xh)) = +def Fwd(t,(x1,x2,xs,xs',xh)) = +def Fwd'(t,(x1,x2,xs,xs',xh)) = +def Ann((x1,x2,xs,xs',xh)) = {xh}[x1^ x2^]{xs'} + +def r = (r1,r2,rs,rs',rh) +def e = (e1,e2,es,es',eh) +def v = (v1,v2,vs,vs',vh) +def y = (y1,y2,ys,ys',yh) +def x = (x1,x2,xs,xs',xh) + +def Catalysis(k,x,y) = +( Cmax*k * TemplateOff(x,y) +| Cmax*k * Transducer(x) +| Cmax*k * TransducerRev(x) +| Cmax*k * Rev(x) +| rxn Template(x,y) ->{pol} Template(x,y) + Signal(y) +| 0 * Template(x,y) | 0* Fwd(t,x) +) +def Catalysis'(k,x,y) = +( Cmax*k * TemplateOff'(x,y) +| Cmax*k * Transducer'(x) +| Cmax*k * TransducerRev'(x) +| Cmax*k * Rev'(x) +| rxn Template'(x,y) ->{pol} Template'(x,y) + Signal'(y) +) +def CatalysisInv(k,x,y) = +( Cmax*k * TemplateOffInv(x,y) +| Cmax*k * Transducer(x) +| Cmax*k * TransducerRev(x) +| Cmax*k * Rev(x) +| rxn TemplateInv(x,y) ->{pol} TemplateInv(x,y) + Signal'(y) +) +def CatalysisInv'(k,x,y) = +( Cmax*k * TemplateOffInv'(x,y) +| Cmax*k * Transducer'(x) +| Cmax*k * TransducerRev'(x) +| Cmax*k * Rev'(x) +| rxn TemplateInv'(x,y) ->{pol} TemplateInv'(x,y) + Signal(y) +) +def Degradation(k,x) = (rxn Signal(x) ->{deg/k}) +def Degradation'(k,x) = (rxn Signal'(x) ->{deg/k}) +def Annihilation(x) = 0*Ann(x) + +(*------------------ Blocks --------------------------------*) +def Catalysis2(k,x,y) = +( Catalysis(k,x,y) +| Catalysis'(k,x,y) +) +def Catalysis2Inv(k,x,y) = +( CatalysisInv(k,x,y) +| CatalysisInv'(k,x,y) +) +def Degradation2(k,x) = +( Degradation(k,x) +| Degradation'(k,x) +) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = +( Catalysis2(k,x,y) +| Degradation2(kD,y) +) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1.0,1.0,1.0,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1.0,1.0,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() ->{1.0} +) +(*------------------ Full system ----------------------------*) +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1.0,1.0,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +(*------------------ Tests -----------------------------------*) +def TestAnnihilation() = +( 2 * X() | X'() +| Annihilation(x) +) +def TestCatalysis() = +( X() | 0 * Y() +| Catalysis(1.0,x,y) +) +def TestDegradation() = +( X() | 0 * X'() +| Degradation(1.0,x) +) +def TestGain() = +( X() | 0 * Y() | 0 * Y'() +| Gain(1.0,2.0,x,y) +| Annihilation(y) +) +def TestSummation() = +( 2 * X() | E() | 0 * V() | 0 * V'() +| Summation(1.0,1.0,1.0,x,e,v) +| Annihilation(v) +) +def TestSummationInv() = +( 2 * Y() | R() | 0 * E() | 0 * E'() +| SummationInv(1.0,1.0,1.0,y,r,e) +| Annihilation(e) +) +(*------------------ Run -------------------------------------*) +System() +(* +System() +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - And Gate.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - And Gate.vdsd new file mode 100644 index 0000000..465c859 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - And Gate.vdsd @@ -0,0 +1,33 @@ +(* A representation of an And Gate, requiring two species to release, from Fig S11 *) +directive plot ; Gate() + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} (* x *) +dom S2b = { seq=TCTCCA; bind=4.2E-4; unbind=4.0E-2} (* y *) +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} (* x *) +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} +dom S9b = {seq=CCTACG} (* x *) +dom S10 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S31 = {seq=CACACA} +dom S32 = {seq=ACTTCAGTCATTAAGC} +dom S33 = {seq = AGAC } +dom S34 = {seq = CCATACAAGTATCA } + + +def FuelOne() = +def FuelTwo() = +def Gate() = {S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*} + +def AndGate(N) = + ( N*Gate() | N* + | N* + | N*FuelOne() | N*FuelTwo()) + +AndGate(10) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Autocatalytic.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Autocatalytic.vdsd new file mode 100644 index 0000000..ec79f1e --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Autocatalytic.vdsd @@ -0,0 +1,26 @@ +(* An auto-catalyzing circuit, with a fluorescing output, from Fig 4*) +directive duration 1000.0 points 100 +directive scale 500.0 +directive polymers +directive plot Fuel(); Autocatalyst(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} +dom S2b = { seq=TCTCCA} +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} +dom S6 = {seq=CCACATACATCATATT} + +def Fuel() = +def Autocatalyst() = +def Substrate() = [S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*} + +def Autocatalytic(N) = (N* Fuel() |N* Autocatalyst() |N* Substrate() ) + +def FluorescingAutocatalytic(N) = +(Autocatalytic(N) | N* [S6 S3^]{S4a^* S4b^*}) + +FluorescingAutocatalytic(100) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Cross Catalytic.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Cross Catalytic.vdsd new file mode 100644 index 0000000..6819dfd --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Cross Catalytic.vdsd @@ -0,0 +1,31 @@ +(* Circuit which cross catalyzes between Substrate0 and Substrate1, from Fig S10 *) +directive plot catalyst0(); catalyst1(); + +dom S1 = { seq=CTTTCCTACA } +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} + +dom x = {seq=CCTACG} +dom y = {seq=TCTCCA; bind=6.5E-4; unbind = 4.0E-3} + +def Fuel0() = < x^ y^ S7 S8^ S9a x^> +def Substrate0() = [x^ y^ S7]:[S8^ S9a x^]{y^*} +def Fuel1() = +def Substrate1() = [x^ y^ S2c]:[S3^ S4a^ x^]{y^*} + +def catalyst0() = +def catalyst1() = + +def crosscatalytic(N,M) = + (N* Fuel0() | N* Substrate0() | + N* Fuel1() | N* Substrate1() | + M* catalyst0() | M*catalyst1()) + +def reporter(N) = N * [S6 S3^]{S4a^*} + +(crosscatalytic(10,5) | reporter(10) ) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Feed forward.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Feed forward.vdsd new file mode 100644 index 0000000..7fa84fb --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Feed forward.vdsd @@ -0,0 +1,31 @@ +(* A two-stage cascaded circuit, from Fig 3. *) +directive plot F0(); F1(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} (* x *) +dom S2b = { seq=TCTCCA; bind=4.2E-4; unbind=4.0E-2} (* y *) +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4a = { seq=CATTCAATAC} +dom S4b = {seq=CCTACG} (* x *) +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) +dom S6 = {seq=CCACATACATCATATT} +dom S7 = {seq=TACTTATTAGCC} +dom S8 = {seq=GACA; bind=5.0E-4; unbind=1.9E-4} +dom S9a = {seq=CTACTTTCAC} +dom S9b = {seq=CCTACG} (* x *) +dom S10 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} (* y *) + +def F0() = +def F1() = +def OBSB0() = [S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*} +def C0() = +def OBSB1() = [S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*} + +def Feedforward(N) = + ( N*F0() | N*OBSB0() | N*C0() | N*F1() | N*OBSB1() ) + +def FluorescingFeedforward(N) = + (Feedforward(N) | N*[S1 S2a]{S2b^*} ) + +FluorescingFeedforward(100) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Fluorescent Catalytic.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Fluorescent Catalytic.vdsd new file mode 100644 index 0000000..cd96884 --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Fluorescent Catalytic.vdsd @@ -0,0 +1,31 @@ +(* A catalytic converter, with a fluorescent output and declared sequences, from Fig 1*) +directive duration 7000.0 points 1000 +directive scale 500.0 +directive plot Fuel _; Reporter(); + +dom S1 = { seq=CTTTCCTACA } +dom S2a = { seq=CCTACG} +dom S2b = { seq=TCTCCA} +dom S2c = { seq=ACTAACTTACGG} +dom S3 = { seq=CCCT; bind=4.2E-4; unbind=4.0E-2} +dom S4 = { seq=CATTCAATACCCTACG} +dom S5 = {seq=TCTCCA; bind=6.5E-4; unbind=4.0E-3} +dom S6 = {seq=CCACATACATCATATT} + +def S2 = (S2a,S2b,S2c) + +def Fuel((ta,tb,tc)) = +def Substrate(o,(ta,tb,tc),s,t,r,f) = [ta tb^ tc]:[t^ r]:{f^*} +def Catalyst() = +def Reporter() = [S1 S2a]{S2b^*} + +def Catalytic(N) = +( (N+5)*Fuel(S2) +| N*Substrate(S1,S2,S6,S3,S4,S5) +| N*Catalyst()) + +def FluoresingCatalytic(N) = +( Catalytic(N) +| N*Reporter()) + +FluoresingCatalytic(10) \ No newline at end of file diff --git a/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Independent Input.vdsd b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Independent Input.vdsd new file mode 100644 index 0000000..a9ef47c --- /dev/null +++ b/ClassicDSD/ClassicDSDTests/testData/visualDsd/Zhang, Science 2007 - Independent Input.vdsd @@ -0,0 +1,13 @@ +directive plot ; fuel _ +dom S11 = { seq = ACCTAATAGC } +dom S12 = { seq = ACCACATCAA } +dom S13 = { seq = TCTCGATCCAGTAC } +dom S14 = { seq = ACCT } +dom S15 = { seq = CTTCACGAACATTTCA } +dom S16 = { seq = TAGCCA } + +def catalyst(N) = N* +def fuel(N) = N* +def substrate(N) = N* [S12^]:[S13 S14^]{S15^*} + +( fuel(100) | substrate(100) | catalyst(10)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/2-domain, DCM - Two domain fork-join.txt b/ClassicDSD/Examples/DSDModels/2-domain, DCM - Two domain fork-join.txt new file mode 100644 index 0000000..c5f1e6a --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/2-domain, DCM - Two domain fork-join.txt @@ -0,0 +1,30 @@ +directive simulation { + initial=0; final=300; points=1000; + plots=[ ; ; ; ; sum([[t^ _]:[_ t^]]) ] +} +directive compilation infinite +new t @ 1.0, 1.0 +def F(N, x, y, z) = + (new a + ( N * + | N * + | N * + | N * {t^*}[x t^]:[a t^]:[a] + | N * [x]:[t^ z]:[t^ y]:[t^ a]{t^*})) +def J(N, x, y, z) = + (new a + new b + ( N * + | N * + | N * + | N * {t^*}[x t^]:[y t^]:[a t^]:[a] + | N * [x]:[t^ b]:[t^ z]:[t^ a]{t^*} + | N * {t^*}[b y]{t^*})) +( F(10.0,x,y,z) +| F(10.0,u,v,w) +| J(10.0,y,v,yv) +| J(10.0,y,w,yw) +| J(10.0,z,v,zv) +| J(10.0,z,w,zw) +| 1.0 * +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/2-domain, DCM - Two-domain transducer.txt b/ClassicDSD/Examples/DSDModels/2-domain, DCM - Two-domain transducer.txt new file mode 100644 index 0000000..8369ccb --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/2-domain, DCM - Two-domain transducer.txt @@ -0,0 +1,11 @@ +directive simulation {initial=0; final=10000; points=1000; plots=[; ; ]} +directive compilation infinite +new t +def T(N, x, y) = + (new a + ( N * + | N * + | N * {t^*}[x t^]:[a t^]:[a] + | N * [x]:[t^ y]:[t^ a]{t^*})) +( +| T(1.0,x,y)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Fork.txt b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Fork.txt new file mode 100644 index 0000000..f41103e --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Fork.txt @@ -0,0 +1,22 @@ +directive simulation {initial=0; final=30000; points=1000; plots=[sum([<_ tx^ x>]); [B]:[tx^]; sum([<_ ty^ y>]); sum([<_ tz^ z>]); [tB^ B]{tx^}:[x ta^]:[a ty]:[b tz^]:[c tB^]]} +directive stochastic {scale = 100.000000; trajectories = 1} +def bind = 0.0003 +def unbind = 0.1126 +def Buff = 100.0 +new tx @ bind, unbind +new ty @ bind, unbind +new tz @ bind, unbind +def BF2(M, N, tx, x, ty, y, tz, z) = + (new ta @ bind, unbind + new a + new b + new c + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] + | M * + | M * [x]{ta^*} + | M * [B]{tx^*} + | N * )) +( BF2(Buff,1.0,tx,x,ty,y,tz,z) +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Join.txt b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Join.txt new file mode 100644 index 0000000..f4876ed --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Join.txt @@ -0,0 +1,29 @@ +directive simulation {initial=0; final=100000; points=1000; plots=[sum([<_ tx^ x>]); sum([<_ ty^ y>]); sum([<_ tz^ z>]); sum([<_ tw^ w>]); ; [tB^ B]{tx^}:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^]]} +directive stochastic {scale = 100.000000; trajectories = 1} +def bind = 0.0003 +def unbind = 0.1126 +def Buff = 100.0 +new tx @ bind, unbind +new ty @ bind, unbind +new tz @ bind, unbind +new tw @ bind, unbind +def BJ2x2(M, N, tx, x, ty, y, tz, z, tw, w) = + (new ta @ bind, unbind + new a + new b + new c + new td @ bind, unbind + new d + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] + | M * + | M * [B]{tx^*} + | M * [x]:[ty^ d]:[td^ y]{ta^*} + | M * + | M * {td^*}[y] + | M * {ty^*}[d] + | N * )) +( BJ2x2(Buff,1.0,tx,x,ty,y,tz,z,tw,w) +| 1.0 * +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Transducer.txt b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Transducer.txt new file mode 100644 index 0000000..b6a7a59 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Buffered Transducer.txt @@ -0,0 +1,20 @@ +directive simulation {initial=0; final=30000; points=1000; plots=[sum([<_ tx^ x>]); sum([<_ ty^ y>]); [tB^ B]{tx^}:[x ta^]:[a ty^]:[b tB^]]} +directive stochastic {scale = 100.000000; trajectories = 1} +def bind = 0.0003 +def unbind = 0.1126 +def Buff = 100.0 +new tx @ bind, unbind +new ty @ bind, unbind +def BTr(M, N, tx, x, ty, y) = + (new ta @ bind, unbind + new a + new b + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^] + | M * + | M * [x]{ta^*} + | M * [B]{tx^*} + | N * )) +( BTr(Buff,1.0,tx,x,ty,y) +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Oscillating.txt b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Oscillating.txt new file mode 100644 index 0000000..e9e0dc4 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Oscillating.txt @@ -0,0 +1,31 @@ +directive simulation {initial=0; final=500000; points=1000; plots=[sum([<_ tp^ p>]); sum([<_ tq^ q>]); sum([<_ tr^ r>]); sum([]); [tB^ B]{tp^}:[p tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]]} +directive stochastic {scale = 100.000000; trajectories = 1} +def bind = 0.0003 +def unbind = 0.1126 +def Buff = 100.0 +new tp @ bind, unbind +new tq @ bind, unbind +new tr @ bind, unbind +def BJ2x2(M, N, tx, x, ty, y, tz, z, tw, w) = + (new ta @ bind, unbind + new a + new b + new c + new td @ bind, unbind + new d + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] + | M * + | M * [B]{tx^*} + | M * [x]:[ty^ d]:[td^ y]{ta^*} + | M * + | M * {td^*}[y] + | M * {ty^*}[d] + | N * )) +( BJ2x2(Buff,1.0,tp,p,tq,q,tq,q,tq,q) +| BJ2x2(Buff,1.0,tq,q,tr,r,tr,r,tr,r) +| BJ2x2(Buff,1.0,tr,r,tp,p,tp,p,tp,p) +| 3.0 * +| 2.0 * +| 2.0 *
) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Transducer Composition.txt b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Transducer Composition.txt new file mode 100644 index 0000000..8a6c474 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Transducer Composition.txt @@ -0,0 +1,16 @@ +directive simulation {initial=0; final=5000; points=1000; plots=[<_ tx^ x>; <_ ty^ y>; <_ tz^ z>]} +directive stochastic {scale = 1000.000000; trajectories = 1} +def bind = 0.0003 +def unbind = 0.1126 +new tx @ bind, unbind +new ty @ bind, unbind +new tz @ bind, unbind +def Tr(N, tx, x, ty, y) = + (new a + new ta @ bind, unbind + ( N * {tx^*}[x ta^]:[a ty^] + | N * + | N * [x]{ta^*})) +( Tr(10.0,tx,x,ty,y) +| Tr(10.0,ty,y,tz,z) +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Transducer.txt b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Transducer.txt new file mode 100644 index 0000000..0b21cfe --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Transducer.txt @@ -0,0 +1,14 @@ +directive simulation {initial=0; final=5000; points=1000; plots=[<_ tx^ x>; <_ ty^ y>]} +directive stochastic {scale = 1000.000000; trajectories = 1} +def bind = 0.0003 +def unbind = 0.1126 +new tx @ bind, unbind +new ty @ bind, unbind +def Tr(N, tx, x, ty, y) = + (new a + new ta @ bind, unbind + ( N * {tx^*}[x ta^]:[a ty^] + | N * + | N * [x]{ta^*})) +( Tr(10.0,tx,x,ty,y) +| 1.0 * ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Ultrasensitive.txt b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Ultrasensitive.txt new file mode 100644 index 0000000..6725a6f --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/3-domain, DNA 2016 - Ultrasensitive.txt @@ -0,0 +1,62 @@ +directive simulation { + initial=0; final=500000; points=1000; + plots=[ sum([<_ tl1p^ l1p>]); sum([<_ tl2p^ l2p>]); sum([<_ tl3p^ l3p>]) ] +} +def bind = 3E-05 +def unbind = 0.1126 +def Buff = 10000.0 +new tstim @ bind, unbind +new tl1 @ bind, unbind +new tl1p @ bind, unbind +new tl2 @ bind, unbind +new tl2p @ bind, unbind +new tl3 @ bind, unbind +new tl3p @ bind, unbind +def BTr(M, N, tx, x, ty, y) = + (new ta @ bind, unbind + new a + new b + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tB^] + | M * + | M * [x]{ta^*} + | M * [B]{tx^*} + | N * )) +def BF2(M, N, tx, x, ty, y, tz, z) = + (new ta @ bind, unbind + new a + new b + new c + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ta^]:[a ty^]:[b tz^]:[c tB^] + | M * + | M * [x]{ta^*} + | M * [B]{tx^*} + | N * )) +def BJ2x2(M, N, tx, x, ty, y, tz, z, tw, w) = + (new ta @ bind, unbind + new a + new b + new c + new td @ bind, unbind + new d + new tB @ bind, unbind + new B + ( M * {tB^*}[B tx^]:[x ty^]:[y ta^]:[a tz^]:[b tw^]:[c tB^] + | M * + | M * [B]{tx^*} + | M * [x]:[ty^ d]:[td^ y]{ta^*} + | M * + | M * {td^*}[y] + | M * {ty^*}[d] + | N * )) +( BF2(Buff,10.0,tstim,stim,tl1,l1,tstim,stim) +| BTr(Buff,10.0,tl1,l1,tl1p,l1p) +| BJ2x2(Buff,10.0,tl1p,l1p,tl2,l2,tl1,l1,tl2p,l2p) +| BJ2x2(Buff,10.0,tl2p,l2p,tl3,l3,tl2,l2,tl3p,l3p) +| BTr(Buff,1.0,tl3p,l3p,tl3,l3) +| 1000.0 * +| 1000.0 * +| 10.0 * ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Catalytic.txt b/ClassicDSD/Examples/DSDModels/Catalytic.txt new file mode 100644 index 0000000..7f5042f --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Catalytic.txt @@ -0,0 +1,9 @@ +directive simulation {initial=0; final=7000} + +new 3@ 4.2E-4 , 4.0E-2 +new 5@ 6.5E-4 , 4.0E-3 + +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/CatalyticSequenceRates.txt b/ClassicDSD/Examples/DSDModels/CatalyticSequenceRates.txt new file mode 100644 index 0000000..612beba --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/CatalyticSequenceRates.txt @@ -0,0 +1,14 @@ +directive simulation {initial=0; final=7000} +directive sequenceRates + +dom 1 = { seq = CCCAAAACAAAACAAAACAA } +dom 2 = { seq = CCCTTTTCTAAACTAAACAA } +dom 3 = { bind = 4.2E-4; unbind = 4.0E-2; seq = TATTCC } +dom 4 = { seq = CCCTTATCATATCAATACAA } +dom 5 = { bind = 6.5E-4; unbind = 4.0E-3; seq = GCTA } +dom 6 = { seq = CCCTTTACATTACATAACAA } + +( 13 * <2 3^ 4> +| 10 * <4 5^> +| 10 * <1>[2]:<6>[3^ 4]{5^*} +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Co-operative - Lotka.txt b/ClassicDSD/Examples/DSDModels/Co-operative - Lotka.txt new file mode 100644 index 0000000..a0dd226 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Co-operative - Lotka.txt @@ -0,0 +1,23 @@ +directive simulation {initial=0; final=20000; points=1000; plots=[; ]} +directive deterministic {stiff=false; reltolerance=1E-07; abstolerance=1E-06} +def bind = 1E-05 +def unbind = 0.1 +def Excess = 100.0 +new x @ bind, unbind +new t @ bind, unbind +def SpeciesL(N, al, a) = N * +def SpeciesR(N, a, ar) = N *
+def BinaryLRxRR(N, al, a, b, br, c, cr, d, dr) = + (new i + ( constant N * {t^*}[a x^ b]{t^*} + | constant (N * Excess) * {x^*}[b i]:[t^ cr]:[t^ dr])) +def UnaryLxLL(N, al, a, cl, c, dl, d) = + (new i + ( constant N * {t^*}[a x^] + | constant (N * Excess) * {x^*}[i]:[cl t^]:[dl t^])) +def UnaryRx(N, a, ar) = constant N * [a]{t^*} +( UnaryLxLL(1000.0,y1l,y1,y1l,y1,y1l,y1) +| BinaryLRxRR(30000.0,y1l,y1,y2,y2r,y2,y2r,y2,y2r) +| UnaryRx(1000.0,y2,y2r) +| SpeciesL(1000.0,y1l,y1) +| SpeciesR(1000.0,y2,y2r)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Co-operative - Mapk.txt b/ClassicDSD/Examples/DSDModels/Co-operative - Mapk.txt new file mode 100644 index 0000000..3c4aa9b --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Co-operative - Mapk.txt @@ -0,0 +1,56 @@ +directive simulation {initial=0; final=20000; points=1000; plots=[; ; ; ; ; ; ; ]} +directive stochastic {scale = 10.000000; trajectories = 1} +def bind = 0.0003 +def unbind = 0.1126 +def Init = 50.0 +def Low = 1.0 +def Excess = 100.0 +new x @ bind, unbind +new t @ bind, unbind +def SpeciesL(N, al, a) = N * +def SpeciesR(N, a, ar) = N * +def BinaryLRxLR(N, al, a, b, br, cl, c, d, dr) = + (new i + ( constant N * {t^*}[a x^ b]{t^*} + | constant (N * Excess) * {x^*}[b i]:[cl t^]:[i]:[t^ dr])) +new e1l +new e1 +new kkk +new kkkr +new kkl +new kk +new k +new kr +new e2l +new e2 +new kkpase +new kkpaser +new kpasel +new kpase +new kkks +new kkksr +new kkpl +new kkp +new kkppl +new kkpp +new kp +new kpr +new kpp +new kppr +( SpeciesL(1.0,e1l,e1) +| SpeciesR(10.0,kkk,kkkr) +| SpeciesL(100.0,kkl,kk) +| SpeciesR(100.0,k,kr) +| SpeciesL(1.0,e2l,e2) +| SpeciesR(1.0,kkpase,kkpaser) +| SpeciesL(1.0,kpasel,kpase) +| BinaryLRxLR(Init,e1l,e1,kkk,kkkr,e1l,e1,kkks,kkksr) +| BinaryLRxLR(Low,e2l,e2,kkks,kkksr,e2l,e2,kkk,kkkr) +| BinaryLRxLR(Init,kkl,kk,kkks,kkksr,kkpl,kkp,kkks,kkksr) +| BinaryLRxLR(Init,kkpl,kkp,kkks,kkksr,kkppl,kkpp,kkks,kkksr) +| BinaryLRxLR(Low,kkppl,kkpp,kkpase,kkpaser,kkpl,kkp,kkpase,kkpaser) +| BinaryLRxLR(Low,kkpl,kkp,kkpase,kkpaser,kkl,kk,kkpase,kkpaser) +| BinaryLRxLR(Init,kkppl,kkpp,k,kr,kkppl,kkpp,kp,kpr) +| BinaryLRxLR(Init,kkppl,kkpp,kp,kpr,kkppl,kkpp,kpp,kppr) +| BinaryLRxLR(Low,kpasel,kpase,kpp,kppr,kpasel,kpase,kp,kpr) +| BinaryLRxLR(Low,kpasel,kpase,kp,kpr,kpasel,kpase,k,kr)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized Fanout) SQRT.txt b/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized Fanout) SQRT.txt new file mode 100644 index 0000000..1d64f14 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized Fanout) SQRT.txt @@ -0,0 +1,87 @@ +directive simulation {initial=0; final=36000; points=2000; plots=[; ; ; ]} +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def num = 15.0 +def Copies = 1000.0 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + (( ((1.0 - x) * ON) * STRAND(T,x_0a,x_0b) + | (x * ON) * STRAND(T,x_1a,x_1b))) +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def THREEINPUTOR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] + | {Ti3^*}[Input3a]:[Input3b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE(Ti, Inputa, Inputb, To, Outputa, Outputb) = ( {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + (( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def x1 = (((num + 1.0) / 2.0) - (num / 2.0)) +def x2 = ((((num / 2.0) + 1.0) / 2.0) - (num / 4.0)) +def x3 = ((((num / 4.0) + 1.0) / 2.0) - (num / 8.0)) +def x4 = ((((num / 8.0) + 1.0) / 2.0) - (num / 16.0)) +def MSB(N) = + (( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,Tmsb_0,MSB_0a,MSB_0b) + | N * REPORTER(Tmsb_0,MSB_0a,MSB_0b) + | N * OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,Tmsb_1,MSB_1a,MSB_1b) + | N * REPORTER(Tmsb_1,MSB_1a,MSB_1b))) +def LSB1(N) = + (( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * FANOUT(T,x4_1a,x4_1b,Tx4_1o,x4_1oa,x4_1ob,2.0) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta1,a1a,a1b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta2,a2a,a2b) + | N * OR(Tx4_1o,x4_1oa,x4_1ob,T,x3_0a,x3_0b,Ta3,a3a,a3b) + | N * THREEINPUTAND(Tx4_1o,x4_1oa,x4_1ob,T,x3_1a,x3_1b,Ta2,a2a,a2b,Ta4,a4a,a4b) + | N * AND(Ta1,a1a,a1b,Ta3,a3a,a3b,Ta5,a5a,a5b) + | N * OR(Ta4,a4a,a4b,Ta5,a5a,a5b,Tlsb_1,LSB_1a,LSB_1b) + | N * REPORTER(Tlsb_1,LSB_1a,LSB_1b))) +def LSB0(N) = + (( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * FANOUT(T,x4_0a,x4_0b,Tx4_0o,x4_0oa,x4_0ob,2.0) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta6,a6a,a6b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta7,a7a,a7b) + | N * AND(T,x3_1a,x3_1b,Tx4_0o,x4_0oa,x4_0ob,Ta8,a8a,a8b) + | N * THREEINPUTOR(Ta6,a6a,a6b,T,x3_0a,x3_0b,Tx4_0o,x4_0oa,x4_0ob,Ta9,a9a,a9b) + | N * OR(Ta7,a7a,a7b,Ta8,a8a,a8b,Ta10,a10a,a10b) + | N * AND(Ta9,a9a,a9b,Ta10,a10a,a10b,Tlsb_0,LSB_0a,LSB_0b) + | N * REPORTER(Tlsb_0,LSB_0a,LSB_0b))) +def M0() = +def M1() = +def L0() = +def L1() = +def SQUAREROOT(N) = + (( 0.0 * M0() + | 0.0 * M1() + | 0.0 * L0() + | 0.0 * L1() + | LSB0(N) + | LSB1(N) + | MSB(N))) +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized) Fanout.txt b/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized) Fanout.txt new file mode 100644 index 0000000..84c03d7 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized) Fanout.txt @@ -0,0 +1,23 @@ +directive simulation {initial=0; final=3600; points=2000; plots=[]} +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( 0.0 * OUTPUT() +| 1.0 * INPUT() +| 1.0 * FANOUT(tA,Aa,Ab,tC,Ca,Cb,2.0) +| 10.0 * REPORTER(tC,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized) SQRT.txt b/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized) SQRT.txt new file mode 100644 index 0000000..95ca941 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Formal Analysis - (localized) SQRT.txt @@ -0,0 +1,178 @@ +directive simulation {initial=0; final=36000; points=2000; plots=[; ; ; ]} +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def num = 15.0 +def Copies = 1000.0 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + (( ((1.0 - x) * ON) * STRAND(T,x_0a,x_0b) + | (x * ON) * STRAND(T,x_1a,x_1b))) +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def THREEINPUTOR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] + | {Ti3^*}[Input3a]:[Input3b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE(Ti, Inputa, Inputb, To, Outputa, Outputb) = ( {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + (( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def x1 = (((num + 1.0) / 2.0) - (num / 2.0)) +def x2 = ((((num / 2.0) + 1.0) / 2.0) - (num / 4.0)) +def x3 = ((((num / 4.0) + 1.0) / 2.0) - (num / 8.0)) +def x4 = ((((num / 8.0) + 1.0) / 2.0) - (num / 16.0)) +def MSB(N) = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new T @ untetheredbind, untetheredunbind + new Tmsb_0 @ tetheredbind, tetheredunbind + new Tmsb_1 @ tetheredbind, tetheredunbind + ( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,Tmsb_0,MSB_0a,MSB_0b) + | N * REPORTER(Tmsb_0,MSB_0a,MSB_0b) + | N * OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,Tmsb_1,MSB_1a,MSB_1b) + | N * REPORTER(Tmsb_1,MSB_1a,MSB_1b))) +def LSB1(N) = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new x4_1oa + new x4_1ob + new a1a + new a1b + new a2a + new a2b + new a3a + new a3b + new a4a + new a4b + new a5a + new a5b + new T @ untetheredbind, untetheredunbind + new Tx4_1o @ tetheredbind, tetheredunbind + new Ta1 @ tetheredbind, tetheredunbind + new Ta2 @ tetheredbind, tetheredunbind + new Ta3 @ tetheredbind, tetheredunbind + new Ta4 @ tetheredbind, tetheredunbind + new Ta5 @ tetheredbind, tetheredunbind + new Tlsb_1 @ tetheredbind, tetheredunbind + ( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * FANOUT(T,x4_1a,x4_1b,Tx4_1o,x4_1oa,x4_1ob,2.0) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta1,a1a,a1b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta2,a2a,a2b) + | N * OR(Tx4_1o,x4_1oa,x4_1ob,T,x3_0a,x3_0b,Ta3,a3a,a3b) + | N * THREEINPUTAND(Tx4_1o,x4_1oa,x4_1ob,T,x3_1a,x3_1b,Ta2,a2a,a2b,Ta4,a4a,a4b) + | N * AND(Ta1,a1a,a1b,Ta3,a3a,a3b,Ta5,a5a,a5b) + | N * OR(Ta4,a4a,a4b,Ta5,a5a,a5b,Tlsb_1,LSB_1a,LSB_1b) + | N * REPORTER(Tlsb_1,LSB_1a,LSB_1b))) +def LSB0(N) = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new x4_0oa + new x4_0ob + new a6a + new a6b + new a7a + new a7b + new a8a + new a8b + new a9a + new a9b + new a10a + new a10b + new T @ untetheredbind, untetheredunbind + new Tx4_0o @ tetheredbind, tetheredunbind + new Ta6 @ tetheredbind, tetheredunbind + new Ta7 @ tetheredbind, tetheredunbind + new Ta8 @ tetheredbind, tetheredunbind + new Ta9 @ tetheredbind, tetheredunbind + new Ta10 @ tetheredbind, tetheredunbind + new Tlsb_0 @ tetheredbind, tetheredunbind + ( N * INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | N * INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | N * INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | N * INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | N * FANOUT(T,x4_0a,x4_0b,Tx4_0o,x4_0oa,x4_0ob,2.0) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta6,a6a,a6b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta7,a7a,a7b) + | N * AND(T,x3_1a,x3_1b,Tx4_0o,x4_0oa,x4_0ob,Ta8,a8a,a8b) + | N * THREEINPUTOR(Ta6,a6a,a6b,T,x3_0a,x3_0b,Tx4_0o,x4_0oa,x4_0ob,Ta9,a9a,a9b) + | N * OR(Ta7,a7a,a7b,Ta8,a8a,a8b,Ta10,a10a,a10b) + | N * AND(Ta9,a9a,a9b,Ta10,a10a,a10b,Tlsb_0,LSB_0a,LSB_0b) + | N * REPORTER(Tlsb_0,LSB_0a,LSB_0b))) +def M0() = +def M1() = +def L0() = +def L1() = +def SQUAREROOT(N) = + (( 0.0 * M0() + | 0.0 * M1() + | 0.0 * L0() + | 0.0 * L1() + | LSB0(N) + | LSB1(N) + | MSB(N))) +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Formal Analysis - And.txt b/ClassicDSD/Examples/DSDModels/Formal Analysis - And.txt new file mode 100644 index 0000000..7aa91f3 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Formal Analysis - And.txt @@ -0,0 +1,23 @@ +directive simulation {initial=0; final=3600; points=2000; plots=[]} +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( 0.0 * OUTPUT() +| 0.0 * INPUT_A() +| 0.0 * INPUT_B() +| 10.0 * AND(tA,Aa,Ab,tB,Ba,Bb,tC,Ca,Cb) +| 10.0 * REPORTER(tC,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Formal Analysis - Fanout.txt b/ClassicDSD/Examples/DSDModels/Formal Analysis - Fanout.txt new file mode 100644 index 0000000..e071ce7 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Formal Analysis - Fanout.txt @@ -0,0 +1,23 @@ +directive simulation {initial=0; final=3600; points=2000; plots=[]} +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def FANOUT(Ti, Ia, Ib, To, Oa, Ob) = + (( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT() = +( 0.0 * OUTPUT() +| 1.0 * INPUT() +| 1.0 * FANOUT(tA,Aa,Ab,tC,Ca,Cb) +| 10.0 * REPORTER(tC,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Formal Analysis - Or.txt b/ClassicDSD/Examples/DSDModels/Formal Analysis - Or.txt new file mode 100644 index 0000000..2459a21 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Formal Analysis - Or.txt @@ -0,0 +1,25 @@ +directive simulation {initial=0; final=3600; points=2000; plots=[]} +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def ON = 1.0 +def STRAND(T, sa, sb) = +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def OUTPUT() = +def INPUT_A() = +def INPUT_B() = +( 0.0 * OUTPUT() +| 0.0 * INPUT_A() +| 0.0 * INPUT_B() +| 10.0 * OR(tA,Aa,Ab,tB,Ba,Bb,tC,Ca,Cb) +| 10.0 * REPORTER(tC,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Formal Analysis - SQRT.txt b/ClassicDSD/Examples/DSDModels/Formal Analysis - SQRT.txt new file mode 100644 index 0000000..59a4ac2 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Formal Analysis - SQRT.txt @@ -0,0 +1,81 @@ +directive simulation {initial=0; final=36000; points=2000; plots=[; ; ; ]} +directive compilation infinite +directive leak 1E-08 +directive tau 1 +def num = 12.0 +def Copies = 20.0 +def ON = 20.0 +def lambda = 1.0 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = (50.0 * 5E-05) +def untetheredunbind = shorttoeholdunbind +def untetheredbind = shorttoeholdbind +def tetheredunbind = untetheredunbind +def tetheredbind = (untetheredbind * lambda) +def STRAND(T, sa, sb) = +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + (( ((1.0 - x) * ON) * STRAND(T,x_0a,x_0b) + | (x * ON) * STRAND(T,x_1a,x_1b))) +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def THREEINPUTOR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] + | {Ti3^*}[Input3a]:[Input3b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE(Ti, Inputa, Inputb, To, Outputa, Outputb) = ( {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def FANOUT2(Ti, Ia, Ib, To, Oa, Ob) = + (( + | {Ti^*}[Ia]:[Ib To^]:[Fa]:[Fb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def x1 = (((num + 1.0) / 2.0) - (num / 2.0)) +def x2 = ((((num / 2.0) + 1.0) / 2.0) - (num / 4.0)) +def x3 = ((((num / 4.0) + 1.0) / 2.0) - (num / 8.0)) +def x4 = ((((num / 8.0) + 1.0) / 2.0) - (num / 16.0)) +def MSB(N) = + (( N * AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,Tmsb_0,MSB_0a,MSB_0b) + | N * REPORTER(Tmsb_0,MSB_0a,MSB_0b) + | N * OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,Tmsb_1,MSB_1a,MSB_1b) + | N * REPORTER(Tmsb_1,MSB_1a,MSB_1b))) +def LSB1(N) = + (( N * FANOUT2(T,x4_1a,x4_1b,Tx4_1o,x4_1oa,x4_1ob) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta1,a1a,a1b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta2,a2a,a2b) + | N * OR(Tx4_1o,x4_1oa,x4_1ob,T,x3_0a,x3_0b,Ta3,a3a,a3b) + | N * THREEINPUTAND(Tx4_1o,x4_1oa,x4_1ob,T,x3_1a,x3_1b,Ta2,a2a,a2b,Ta4,a4a,a4b) + | N * AND(Ta1,a1a,a1b,Ta3,a3a,a3b,Ta5,a5a,a5b) + | N * OR(Ta4,a4a,a4b,Ta5,a5a,a5b,Tlsb_1,LSB_1a,LSB_1b) + | N * REPORTER(Tlsb_1,LSB_1a,LSB_1b))) +def LSB0(N) = + (( N * FANOUT2(T,x4_0a,x4_0b,Tx4_0o,x4_0oa,x4_0ob) + | N * OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,Ta6,a6a,a6b) + | N * AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,Ta7,a7a,a7b) + | N * AND(T,x3_1a,x3_1b,Tx4_0o,x4_0oa,x4_0ob,Ta8,a8a,a8b) + | N * THREEINPUTOR(Ta6,a6a,a6b,T,x3_0a,x3_0b,Tx4_0o,x4_0oa,x4_0ob,Ta9,a9a,a9b) + | N * OR(Ta7,a7a,a7b,Ta8,a8a,a8b,Ta10,a10a,a10b) + | N * AND(Ta9,a9a,a9b,Ta10,a10a,a10b,Tlsb_0,LSB_0a,LSB_0b) + | N * REPORTER(Tlsb_0,LSB_0a,LSB_0b))) +def Input() = + (( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b))) +def M0() = +def M1() = +def L0() = +def L1() = +def SQUAREROOT(N) = + (( 0.0 * M0() + | 0.0 * M1() + | 0.0 * L0() + | 0.0 * L1() + | Input() + | LSB0(N) + | LSB1(N) + | MSB(N))) +SQUAREROOT(Copies) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Kim et al., Mol Syst Biol 2011 - Oscillator.txt b/ClassicDSD/Examples/DSDModels/Kim et al., Mol Syst Biol 2011 - Oscillator.txt new file mode 100644 index 0000000..17e1434 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Kim et al., Mol Syst Biol 2011 - Oscillator.txt @@ -0,0 +1,148 @@ +directive simulation { final=72000; plots=[T21(); T12()] } //; rI2(); A2() +directive deterministic { stiff=true } +directive simulator deterministic +directive compilation infinite +directive polymers +directive parameters [ +kTA21 = 74000.0e-9; +kTA12 = 14000.0e-9; +kAI1 = 53000.0e-9; +krAI1 = 24000.0e-9; +kAI2 = 31000.0e-9; +kTAI21 = 28000.0e-9; +kTAI12 = 140000.0e-9; +kAIrA1 = 28000.0e-9; +cRNaseH = 1.5e+1; +cRNAP = 1.25e+2; +kRNAP = 0.0323; +kRNaseH = 0.0196; +S = 0.02; +] +//directive sweeps [ sweep1 = [S = [0.1;0.09;0.08;0.07;0.06;0.05;0.04;0.02;0.01]] ] +dom ta2 = {bind = kTAI12; colour = "lightblue"} +dom a2 = {bind = kTA12; colour = "red"} +dom t = {bind = 0.0; colour = "blue"} (* negligible binding rate *) +dom p = {bind = 0.0; colour = "purple"} (* negligible binding rate *) +dom ta1 = {bind = kTAI21; colour = "darkgreen"} +dom a1 = {bind = kTA21; colour = "magenta" } +dom tdI1 = {bind = kAIrA1; colour = "black"} +dom AI1 = {bind = kAI1; subdomains = [p;a1;ta1]} +dom AI2 = {bind = kAI2; subdomains = [ta2;a2;t]} +dom rAI1 = {bind = krAI1; subdomains = [a1;ta1;tdI1]} +dom TA12 = {bind = kTA12; subdomains = [a2;t] } +dom TA21 = {bind = kTA21; subdomains = [t*;p;a1] } +(* +dom prom = {colour = "blue"} +dom h = {colour = "brown"} +dom trI2 = {colour = "lightgreen"} +*) + +new RNaseH new RNaseHA2rI2 new RNaseHrA1dI1 +new RNAP new RNAPT12A2 new RNAPT21A1 new RNAPT12 new RNAPT21 +def RNaseH() = +def RNaseHA2rI2() = +def RNaseHrA1dI1() = +def RNAP() = +def RNAPT12A2() = +def RNAPT21A1() = +def RNAPT12() = +def RNAPT21() = + +def rA1() = +def A1() = +def dI1() = +def A2() = +def rI2() = +def A2rI2() = [ta2^ a2^ t^] +def rA1dI1() = {p^*}[a1^ ta1^ tdI1^] +def A1dI1() = [p^ a1^ ta1^]{tdI1^*} +def T12() = [prom tra1 a1^ ta1^ tdI1^ t^ h] +def T12A2() = {ta2^*}[a2^ t^]::[prom tra1 a1^ ta1^ tdI1^ t^ h] +def T21() = [prom trI2 ta2^ a2^ t^ h] +def T21A1() = {ta1^}[a1^* p^* t^]::[prom trI2 ta2^ a2^ t^ h] +def T11A2() = {ta2^*}[a2^ t^]::[prom trI2 ta2^ a2^ t^ h] +def T11() = [prom trI2 ta2^ a2^ t^ h] + +def kplus = 1.0e-1 +def kplusH = 1.0e-1 +def kminusON12 = 6.8 +def kminusOFF12 = 262.0 +def kminusON21 = 24.7 +def kminusOFF21 = 267.0 +def kminusH1 = 7.6 +def kminusH2 = 1.6 +def kcatON12 = 0.05 +def kcatOFF12 = 0.002 +def kcatON21 = 0.08 +def kcatOFF21 = 0.02 +def kcatH1 = 0.05 +def kcatH2 = 0.24 + +def KMH1 = (kminusH1 + kcatH1) / kplusH +def KMH2 = (kminusH2 + kcatH2) / kplusH +def KMON12 = (kminusON12 + kcatON12) / kplus +def KMON21 = (kminusON21 + kcatON21) / kplus +def KMOFF12 = (kminusOFF12 + kcatOFF12) / kplus +def KMOFF21 = (kminusOFF21 + kcatOFF21) / kplus + +def Activation() = +( 1.2e+2*T11() +| 5.0e+2*A2() +| 0*A2rI2() +| 0*T11A2() +| rxn A2rI2() ->{kRNaseH} A2() +| rxn T11A2() ->{kRNAP} T11A2() + rI2() +| 0*rI2() +) +def RNaseH_enzymatic() = +( 1.5e+1*RNaseH() +| rxn RNaseH() + A2rI2() <->{kplusH}{kminusH2} RNaseHA2rI2() +| rxn RNaseHA2rI2() ->{kcatH2} RNaseH() + A2() +| rxn RNaseH() + rA1dI1() <->{kplusH}{kminusH1} RNaseHrA1dI1() +| rxn RNaseHrA1dI1() ->{kcatH1} RNaseH() + dI1() +) +def RNaseH_firstorder() = +( rxn A2rI2() ->{S*kcatH2*cRNaseH/KMH2} A2() +| rxn rA1dI1() ->{S*kcatH1*cRNaseH/KMH1} dI1() +) +def RNAP_enzymatic() = +( 1.25e+2*RNAP() +| rxn RNAP() + T12A2() <->{kplus}{kminusON12} RNAPT12A2() +| rxn RNAPT12A2() ->{kcatON12} RNAP() + T12A2() + rA1() +| rxn RNAP() + T21A1() <->{kplus}{kminusON21} RNAPT21A1() +| rxn RNAPT21A1() ->{kcatON21} RNAP() + T21A1() + rI2() +| rxn RNAP() + T12() <->{kplus}{kminusOFF12} RNAPT12() +| rxn RNAPT12() ->{kcatOFF12} RNAP() + T12() + rA1() +| rxn RNAP() + T21() <->{kplus}{kminusOFF21} RNAPT21() +| rxn RNAPT21() ->{kcatOFF21} RNAP() + T21() + rI2() +) +def RNAP_firstorder() = +( rxn T12A2() ->{kcatON12*cRNAP/(KMON12 + cRNAP)} T12A2() + rA1() +| rxn T21A1() ->{kcatON21*cRNAP/(KMON21 + cRNAP)} T21A1() + rI2() +| rxn T12() ->{kcatOFF12*cRNAP/(KMOFF12 + cRNAP)} T12() + rA1() +| rxn T21() ->{kcatOFF21*cRNAP/(KMOFF21 + cRNAP)} T21() + rI2() +) +def System() = +( 1.2e+2*T12() +| 5.0e+2*A2() +| 2.5e+2*T21() +| 2.5e+2*A1() +| 1.0e+3*dI1() +| 0*rA1() +| 0*rI2() +| 0*A2rI2() +| 0*T12A2() +| 0*T21A1() +| 0*rA1dI1() +| 0*A1dI1() +| RNaseH_firstorder() +// | RNaseH_enzymatic() +| RNAP_firstorder() +// | RNAP_enzymatic() +) + +(* +System() +Activation() +*) +System() \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Remote transmission lines.txt b/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Remote transmission lines.txt new file mode 100644 index 0000000..a97c8d9 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Remote transmission lines.txt @@ -0,0 +1,23 @@ +directive simulation {initial=0; final=40000; points=1000; plots=[input(); fuel(); probe(); reporter()]} +directive deterministic {stiff=true; reltolerance=1E-05; abstolerance=1E-06} +directive simulator deterministic +directive polymers +directive locations [a = 100000; b = 100000] +dom a0 = {colour = "red"} +dom x = {colour = "green"} +dom y = {colour = "blue"} +dom r = {colour = "purple"} +dom Q = {colour = "black"} +dom F = {colour = "black"} +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami1() = [[ {tether(a) a0^*}[s]{y^> | {tether(a, b) x^*}[s]{y^> | {tether(b) x^*}[s]]] +def origami2() = [[ {tether(a) b0^*}[s]{y^> | {tether(a, b) x^*}[s]{y^> | {tether(b) x^*}[s]{r^>]] +def reporter() = {s F^} +( input() +| 4.0 * fuel() +| probe() +| origami1() +| origami2() +| 0.0 * reporter()) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.txt b/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.txt new file mode 100644 index 0000000..f95643a --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Threshold spatial (reporter) AND.txt @@ -0,0 +1,21 @@ +directive simulation {initial=0; final=40000; points=1000; plots=[reporter()]} +directive deterministic {stiff=true; reltolerance=1E-05; abstolerance=1E-06} +directive simulator deterministic +directive polymers +directive locations [a = 1000000; b = 100000; c = 1000000; d = 100000] +dom a0 = {colour = "red"} +dom x = {colour = "green"} +dom y = {colour = "blue"} +dom b0 = {colour = "purple"} +dom blank = {colour = "black"} +def input1() = +def input2() = +def fuel() = [s*]{x^> +def probe() = [s*]{F} +def reporter() = {s F} +def origami() = [[ {tether(a, b) a0^*}[s]{y^> | {tether(c, d) b0^*}[s]{y^> | {tether(a, c) x^*}[s]{blank^> | {tether(b, d) x^*}[s]{z^>]] +( input1() +| 2.0 * fuel() +| probe() +| 0.0 * reporter() +| origami()) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Threshold spatial AND.txt b/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Threshold spatial AND.txt new file mode 100644 index 0000000..187654c --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Threshold spatial AND.txt @@ -0,0 +1,17 @@ +directive simulation {initial=0; final=10000; points=1000; plots=[]} +directive deterministic {stiff=true; reltolerance=1E-05; abstolerance=1E-06} +directive simulator deterministic +directive polymers +directive locations [a = 1000000; b = 100000; c = 1000000; d = 100000] +dom a0 = {colour = "red"} +dom x = {colour = "green"} +dom y = {colour = "blue"} +dom b0 = {colour = "purple"} +dom blank = {colour = "black"} +def input1() = +def input2() = +def fuel() = [s*]{x^> +def origami() = [[ {tether(a, b) a0^*}[s]{y^> | {tether(c, d) b0^*}[s]{y^> | {tether(a, c) x^*}[s]{blank^> | {tether(b, d) x^*}[s]{y^>]] +( input1() +| 3.0 * fuel() +| origami()) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Transmission lines.txt b/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Transmission lines.txt new file mode 100644 index 0000000..63ea7ac --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Lakin et al., DNA 2014 - Transmission lines.txt @@ -0,0 +1,21 @@ +directive simulation {initial=0; final=40000; points=1000; plots=[input(); fuel(); probe(); reporter()]} +directive deterministic {stiff=true; reltolerance=1E-05; abstolerance=1E-06} +directive simulator deterministic +directive polymers +directive locations [a = 100000; b = 100000] +dom a0 = {colour = "red"} +dom x = {colour = "green"} +dom y = {colour = "blue"} +dom r = {colour = "purple"} +dom Q = {colour = "black"} +dom F = {colour = "black"} +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami() = [[ {tether(a) a0^*}[s]{y^> | {tether(a, b) x^*}[s]{y^> | {tether(b) x^*}[s]{r^>]] +def reporter() = {s F^} +( input() +| 2.0 * fuel() +| probe() +| origami() +| 0.0 * reporter()) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Buffered oscillators.txt b/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Buffered oscillators.txt new file mode 100644 index 0000000..b12ab52 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Buffered oscillators.txt @@ -0,0 +1,34 @@ +directive simulation {initial=0; final=250000; points=1000; plots=[sum([<_ t^ A>]); sum([<_ t^ B>]); sum([<_ t^ C>]); {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I]]} +directive stochastic {scale = 100.000000; trajectories = 1} +directive deterministic {stiff=false; reltolerance=0.0001; abstolerance=1E-06} +def bind = 0.0003 +def unbind = 0.1126 +new t @ bind, unbind +def Species(M, h, A) = M * +def BJ2x2(Buffer, Fuel, Init, A, B, C, D) = + (new I + new J + new K + new Ch + new Dh + ( Buffer * {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * [K]{t^*} + | (Init * 10.0) * + | Init * )) +def Buffer = 100.0 +def Init = 10.0 +def Fuel = 1000.0 +new Ah +new A +new Bh +new B +new Ch +new C +( BJ2x2(Buffer,Fuel,Init,A,B,B,B) +| BJ2x2(Buffer,Fuel,Init,B,C,C,C) +| BJ2x2(Buffer,Fuel,Init,C,A,A,A) +| Species(2.0,Ah,A) +| Species(4.0,Bh,B) +| Species(2.0,Ch,C)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Join gates.txt b/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Join gates.txt new file mode 100644 index 0000000..32604df --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Join gates.txt @@ -0,0 +1,35 @@ +directive simulation {initial=0; final=2000000; points=1000; plots=[sum([<_ t^ A>]); sum([<_ t^ B>]); sum([<_ t^ C>]); sum([<_ t^ D>]); ; {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; {t^*}[K t^]:[B t^]:[C t^]:[Ch t^]:[Dh t^]:[J t^]:[I]; {t^*}[K t^]:[C t^]:[A t^]:[Ch t^]:[Dh t^]:[J t^]:[I]]} +directive stochastic {scale = 100.000000; trajectories = 1} +def bind = 0.0003 +def unbind = 0.1126 +new t @ bind, unbind +def Species(M, h, A) = M * +def BJ2x2(Buffer, Fuel, Init, A, B, C, D) = + (new I + new J + new K + new Ch + new Dh + ( Buffer * {t^*}[K t^]:[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * [K]{t^*} + | (Init * 10.0) * + | Init * )) +def J2x2(Fuel, N, A, B, C, D) = + (new I + new J + new K + new Ch + new Dh + ( N * {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^]:[J t^]:[I] + | Fuel * + | Fuel * [J]{t^*} + | Fuel * {t^*}[K] + | (N * 10.0) * )) +def Buffer = 1000.0 +def Fuel = 1000.0 +def Init = 1.0 +( BJ2x2(Buffer,Fuel,Init,A,B,C,D) +| Species(1.0,hA,A) +| Species(1.0,hB,B)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Unbuffered oscillators.txt b/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Unbuffered oscillators.txt new file mode 100644 index 0000000..5c6fb16 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Lakin et al., Interface 2012 - Unbuffered oscillators.txt @@ -0,0 +1,31 @@ +directive simulation {initial=0; final=5000000; points=10000; plots=[sum([<_ t^ A>]); sum([<_ t^ B>]); sum([<_ t^ C>]); {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^]; {t^*}[B t^]:[C t^]:[Ch t^]:[Dh t^]; {t^*}[C t^]:[A t^]:[Ch t^]:[Dh t^]]} +directive stochastic {scale = 100.000000; trajectories = 1} +directive deterministic {stiff=true; reltolerance=0.0001; abstolerance=1E-06} +directive simulator deterministic +def bind = 0.0003 +def unbind = 0.1126 +new t @ bind, unbind +def Species(M, h, A) = M * +def J2x2_NoGC(Fuel, N, A, B, C, D) = + (new I + new J + new K + new Ch + new Dh + ( N * {t^*}[A t^]:[B t^]:[Ch t^]:[Dh t^] + | Fuel * + | (N * 10.0) * )) +def N = 100.0 +def Fuel = 1000.0 +new Ah +new A +new Bh +new B +new Ch +new C +( J2x2_NoGC(Fuel,N,A,B,B,B) +| J2x2_NoGC(Fuel,N,B,C,C,C) +| J2x2_NoGC(Fuel,N,C,A,A,A) +| Species(2.0,Ah,A) +| Species(4.0,Bh,B) +| Species(2.0,Ch,C)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Lakin, Parker et al., Interface 2012 - Model-checking examples.txt b/ClassicDSD/Examples/DSDModels/Lakin, Parker et al., Interface 2012 - Model-checking examples.txt new file mode 100644 index 0000000..89e5ca0 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Lakin, Parker et al., Interface 2012 - Model-checking examples.txt @@ -0,0 +1,55 @@ +directive simulation {initial=0; final=300000; points=1000; plots=[; ; ]} +directive compilation infinite +def kt = 1000000.0 +def exp_DeltaG_over_RT = 3.75479E-07 +def bind = (kt * 1E-09) +def unbind = (kt * exp_DeltaG_over_RT) +new t @ bind, unbind +def S(N, x) = N * +def T(N, x, y) = + (new c + ( N * + | N * + | N * {t^*}[x t^]:[c]:[a t^]:[a] + | N * [x]:[t^ y]:[c]:[t^ a]{t^*})) +def T2(N, x, y) = + (new a + new c + ( N * + | N * + | N * {t^*}[x t^]:[c]:[a t^]:[a] + | N * [x]:[t^ y]:[c]:[t^ a]{t^*})) +def C(N, x, y, z) = + (new a + new c + ( N * {t^*}[x t^]:[y t^]:[c]:[a t^]:[a] + | N * + | N * [x]:[t^ z]:[c]:[t^ y]:[t^ a]{t^*} + | N * )) +def C_NoGC(N, x, y, z) = + (new a + new c + ( N * {t^*}[x t^]:[y t^]:[c]:[a t^] + | N * + | N * [t^ z]:[c]:[t^ y]:[t^ a]{t^*} + | N * )) +def C_NoGC_Constant(N, x, y, z) = + (new a + new c + ( constant N * {t^*}[x t^]:[y t^]:[c]:[a t^] + | constant N * + | constant N * + | constant N * [t^ z]:[c]:[t^ y]:[t^ a]{t^*} + | constant N * + | constant N * [t^ x]:[t^ y]:[t^ c a]{t^*} + | constant N * {t^*}[z c t^]:[y t^]:[a t^] + | constant N * + | constant N * + | constant N * )) +new x0 +new x1 +new x2 +def N = 1.0 +( S(N,x0) +| T(N,x0,x1) +| T(N,x1,x2)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Localization - AND gate with nicks.txt b/ClassicDSD/Examples/DSDModels/Localization - AND gate with nicks.txt new file mode 100644 index 0000000..179c1fb --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Localization - AND gate with nicks.txt @@ -0,0 +1,25 @@ +directive simulation {initial=0; final=18000; points=1000; plots=[]} +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive leaks +directive leak (1E-09 * c) +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, sa, sb) = +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +new T @ (c * bind), unbind +( in1 * STRAND(T,Aa,Ab) +| in2 * STRAND(T,Ba,Bb) +| AND(T,Aa,Ab,T,Ba,Bb,T,Ca,Cb) +| REPORTER(T,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Localization - AND gate.txt b/ClassicDSD/Examples/DSDModels/Localization - AND gate.txt new file mode 100644 index 0000000..27e27cd --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Localization - AND gate.txt @@ -0,0 +1,22 @@ +directive simulation {initial=0; final=18000; points=1000; plots=[]} +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, s) = +def AND(Ti1, Input1, Ti2, Input2, To, Output) = {Ti1^*}[Input1 Ti2^]:[Input2 To^] +def REPORTER(Ti, Input) = {Ti^*}[Input] +new T @ (c0 * bind), unbind +( in1 * STRAND(T,A) +| in2 * STRAND(T,B) +| AND(T,A,T,B,T,C) +| REPORTER(T,C)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Localization - OR gate with nicks.txt b/ClassicDSD/Examples/DSDModels/Localization - OR gate with nicks.txt new file mode 100644 index 0000000..b17b518 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Localization - OR gate with nicks.txt @@ -0,0 +1,26 @@ +directive simulation {initial=0; final=18000; points=1000; plots=[]} +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive leaks +directive leak (1E-09 * c) +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, sa, sb) = +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +new T @ (c * bind), unbind +( in1 * STRAND(T,Aa,Ab) +| in2 * STRAND(T,Ba,Bb) +| OR(T,Aa,Ab,T,Ba,Bb,T,Ca,Cb) +| REPORTER(T,Ca,Cb)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Localization - OR gate.txt b/ClassicDSD/Examples/DSDModels/Localization - OR gate.txt new file mode 100644 index 0000000..5a0152b --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Localization - OR gate.txt @@ -0,0 +1,24 @@ +directive simulation {initial=0; final=18000; points=1000; plots=[]} +directive simulator cme +directive parameters [ + in1 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + in2 = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + mysweep = [in1 = [0; 1]; in2 = [0; 1]]; +] +directive compilation infinite +directive tau 1 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, s) = +def OR(Ti1, Input1, Ti2, Input2, To, Output) = + (( {Ti1^*}[Input1 To^] + | {Ti2^*}[Input2 To^])) +def REPORTER(Ti, Input) = {Ti^*}[Input] +new T @ (c0 * bind), unbind +( in1 * STRAND(T,A) +| in2 * STRAND(T,B) +| OR(T,A,T,B,T,C) +| REPORTER(T,C)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Localization - OR of ANDs.txt b/ClassicDSD/Examples/DSDModels/Localization - OR of ANDs.txt new file mode 100644 index 0000000..755c324 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Localization - OR of ANDs.txt @@ -0,0 +1,33 @@ +directive simulation {initial=0; final=720; points=1000; plots=[]} +directive simulator cme +directive parameters [ + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + sweep_1 = [c = [50; 500; 5000; 50000; 500000; 5000000]]; +] +directive compilation infinite +directive leaks +directive leak (1E-09 * c) +directive tau 1 +def Si1 = 0.0 +def Si2 = 0.0 +def Si3 = 0.0 +def Si4 = 1.0 +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, sa, sb) = +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +new T @ (c * bind), unbind +( Si1 * STRAND(T,Aa,Ab) +| Si2 * STRAND(T,Ba,Bb) +| Si3 * STRAND(T,Ca,Cb) +| Si4 * STRAND(T,Da,Db) +| AND(T,Aa,Ab,T,Ba,Bb,T,Ea,Eb) +| AND(T,Ca,Cb,T,Da,Db,T,Fa,Fb) +| OR(T,Ea,Eb,T,Fa,Fb,T,Ga,Gb) +| REPORTER(T,Ga,Gb)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Localization - Square root.txt b/ClassicDSD/Examples/DSDModels/Localization - Square root.txt new file mode 100644 index 0000000..c3167fa --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Localization - Square root.txt @@ -0,0 +1,223 @@ +directive simulation {initial=0; final=5000; points=1000; plots=[; ; ; ]} +directive simulator cme +directive parameters [ + c0 = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + sweep_1 = [c = [50; 500; 5000; 50000]]; +] +directive compilation infinite +directive leaks +directive polymers +directive declare +directive leak (1E-09 * c) +directive tau 1 +def num = 0.0 +def x1 = (num % 2.0) +def r1 = ((num - x1) / 2.0) +def x2 = (r1 % 2.0) +def r2 = ((r1 - x2) / 2.0) +def x3 = (r2 % 2.0) +def r3 = ((r2 - x3) / 2.0) +def x4 = (r3 % 2.0) +def bind = 5E-05 +def unbind = 26.0 +def untetheredbind = (c * bind) +def untetheredunbind = unbind +def tetheredbind = (c * bind) +def tetheredunbind = unbind +def STRAND(T, sa, sb) = +def CIN = (c0 / c) +def INPUT(T, x, x_0a, x_0b, x_1a, x_1b) = + (( constant (CIN * (1.0 - x)) * STRAND(T,x_0a,x_0b) + | constant (CIN * x) * STRAND(T,x_1a,x_1b))) +def OR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^])) +def THREEINPUTOR(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = + (( {Ti1^*}[Input1a]:[Input1b To^] + | {Ti2^*}[Input2a]:[Input2b To^] + | {Ti3^*}[Input3a]:[Input3b To^])) +def AND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b To^] +def THREEINPUTAND(Ti1, Input1a, Input1b, Ti2, Input2a, Input2b, Ti3, Input3a, Input3b, To, Outputa, Outputb) = {Ti1^*}[Input1a]:[Input1b Ti2^]:[Input2a]:[Input2b Ti3^]:[Input3a]:[Input3b To^] +def WIRE(Ti, Inputa, Inputb, To, Outputa, Outputb) = ( {Ti^*}[Inputa]:[Inputb To^]) +def FANOUT(Ti, Inputa, Inputb, To, Outputa, Outputb, Degree) = + (( (Degree - 1.0) * + | Degree * {Ti^*}[Inputa]:[Inputb To^])) +def REPORTER(Ti, Inputa, Inputb) = {Ti^*}[Inputa Inputb] +def MSB1() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new MSB_1a + new MSB_1b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,T,MSB_1a,MSB_1b) + | REPORTER(T,MSB_1a,MSB_1b))) +def MSB0() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new MSB_0a + new MSB_0b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,T,MSB_0a,MSB_0b) + | REPORTER(T,MSB_0a,MSB_0b))) +def MSB() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new MSB_0a + new MSB_0b + new MSB_1a + new MSB_1b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | AND(T,x3_0a,x3_0b,T,x4_0a,x4_0b,T,MSB_0a,MSB_0b) + | REPORTER(T,MSB_0a,MSB_0b) + | OR(T,x3_1a,x3_1b,T,x4_1a,x4_1b,T,MSB_1a,MSB_1b) + | REPORTER(T,MSB_1a,MSB_1b))) +def LSB1() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new x4_1oa + new x4_1ob + new LSB_1a + new LSB_1b + new a1a + new a1b + new a2a + new a2b + new a3a + new a3b + new a4a + new a4b + new a5a + new a5b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | FANOUT(T,x4_1a,x4_1b,T,x4_1oa,x4_1ob,2.0) + | OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,T,a1a,a1b) + | AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,T,a2a,a2b) + | OR(T,x4_1oa,x4_1ob,T,x3_0a,x3_0b,T,a3a,a3b) + | THREEINPUTAND(T,x4_1oa,x4_1ob,T,x3_1a,x3_1b,T,a2a,a2b,T,a4a,a4b) + | AND(T,a1a,a1b,T,a3a,a3b,T,a5a,a5b) + | OR(T,a4a,a4b,T,a5a,a5b,T,LSB_1a,LSB_1b) + | REPORTER(T,LSB_1a,LSB_1b))) +def LSB0() = + (new x1_0a + new x1_0b + new x1_1a + new x1_1b + new x2_0a + new x2_0b + new x2_1a + new x2_1b + new x3_0a + new x3_0b + new x3_1a + new x3_1b + new x4_0a + new x4_0b + new x4_1a + new x4_1b + new x4_0oa + new x4_0ob + new LSB_0a + new LSB_0b + new a6a + new a6b + new a7a + new a7b + new a8a + new a8b + new a9a + new a9b + new a10a + new a10b + new T @ untetheredbind, untetheredunbind + ( INPUT(T,x4,x4_0a,x4_0b,x4_1a,x4_1b) + | INPUT(T,x3,x3_0a,x3_0b,x3_1a,x3_1b) + | INPUT(T,x2,x2_0a,x2_0b,x2_1a,x2_1b) + | INPUT(T,x1,x1_0a,x1_0b,x1_1a,x1_1b) + | FANOUT(T,x4_0a,x4_0b,T,x4_0oa,x4_0ob,2.0) + | OR(T,x1_1a,x1_1b,T,x2_1a,x2_1b,T,a6a,a6b) + | AND(T,x1_0a,x1_0b,T,x2_0a,x2_0b,T,a7a,a7b) + | AND(T,x3_1a,x3_1b,T,x4_0oa,x4_0ob,T,a8a,a8b) + | THREEINPUTOR(T,a6a,a6b,T,x3_0a,x3_0b,T,x4_0oa,x4_0ob,T,a9a,a9b) + | OR(T,a7a,a7b,T,a8a,a8b,T,a10a,a10b) + | AND(T,a9a,a9b,T,a10a,a10b,T,LSB_0a,LSB_0b) + | REPORTER(T,LSB_0a,LSB_0b))) +def SQUAREROOT() = + (( LSB0() + | LSB1() + | MSB())) +LSB1() \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Localization - Wires.txt b/ClassicDSD/Examples/DSDModels/Localization - Wires.txt new file mode 100644 index 0000000..d471221 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Localization - Wires.txt @@ -0,0 +1,125 @@ +directive simulation {initial=0; final=10000; points=1000; plots=[]} +directive simulator cme +directive parameters [ + length = 0, {interval=Real; distribution=Uniform(0,0); variation=Fixed}; + c = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; +] +directive sweeps [ + sweep_1 = [length = [0; 1; 2; 3; 4; 5; 6; 7; 8; 9]]; +] +directive compilation infinite +directive leaks +directive leak (1E-09 * c) +directive tau 1 +def num = (2.0 ** length) +def x0 = (num % 2.0) +def r0 = ((num - x0) / 2.0) +def x1 = (r0 % 2.0) +def r1 = ((r0 - x1) / 2.0) +def x2 = (r1 % 2.0) +def r2 = ((r1 - x2) / 2.0) +def x3 = (r2 % 2.0) +def r3 = ((r2 - x3) / 2.0) +def x4 = (r3 % 2.0) +def r4 = ((r3 - x4) / 2.0) +def x5 = (r4 % 2.0) +def r5 = ((r4 - x5) / 2.0) +def x6 = (r5 % 2.0) +def r6 = ((r5 - x6) / 2.0) +def x7 = (r6 % 2.0) +def r7 = ((r6 - x7) / 2.0) +def x8 = (r7 % 2.0) +def r8 = ((r7 - x8) / 2.0) +def x9 = (r8 % 2.0) +def r9 = ((r8 - x9) / 2.0) +def bind = 5E-05 +def unbind = 26.0 +def STRAND(T, sa, sb) = +def WIRE(T, Inputa, Inputb, To, Outputa, Outputb) = ( {T^*}[Inputa]:[Inputb To^]) +def REPORTER(T, Inputa, Inputb) = {T^*}[Inputa Inputb] +new T @ (c * bind), unbind +def WIRES0() = + (( STRAND(T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES1() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES2() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES3() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES4() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES5() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES6() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,fa,fb) + | WIRE(T,fa,fb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES7() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,fa,fb) + | WIRE(T,fa,fb,T,ga,gb) + | WIRE(T,ga,gb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES8() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,fa,fb) + | WIRE(T,fa,fb,T,ga,gb) + | WIRE(T,ga,gb,T,ha,hb) + | WIRE(T,ha,hb,T,ra,rb) + | REPORTER(T,ra,rb))) +def WIRES9() = + (( STRAND(T,aa,ab) + | WIRE(T,aa,ab,T,ba,bb) + | WIRE(T,ba,bb,T,ca,cb) + | WIRE(T,ca,cb,T,da,db) + | WIRE(T,da,db,T,ea,eb) + | WIRE(T,ea,eb,T,fa,fb) + | WIRE(T,fa,fb,T,ga,gb) + | WIRE(T,ga,gb,T,ha,hb) + | WIRE(T,ha,hb,T,ia,ib) + | WIRE(T,ia,ib,T,ra,rb) + | REPORTER(T,ra,rb))) +( x0 * WIRES0() +| x1 * WIRES1() +| x2 * WIRES2() +| x3 * WIRES3() +| x4 * WIRES4() +| x5 * WIRES5() +| x6 * WIRES6() +| x7 * WIRES7() +| x8 * WIRES8() +| x9 * WIRES9()) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-CME.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-CME.txt new file mode 100644 index 0000000..1b6bc94 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-CME.txt @@ -0,0 +1,24 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive stochastic {scale = 1} +directive simulator cme +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-CTMC.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-CTMC.txt new file mode 100644 index 0000000..b0dd1a0 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-CTMC.txt @@ -0,0 +1,23 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive simulator cme +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Inference-Samples.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Inference-Samples.txt new file mode 100644 index 0000000..29c6ba9 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Inference-Samples.txt @@ -0,0 +1,28 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive simulator deterministic +directive parameters [ + k = 0.003, {distribution=Uniform(0.0001,1)}; + u = 0.1; +] +directive inference { burnin = 1000; samples = 1000; } +directive data [Join_data] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Inference.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Inference.txt new file mode 100644 index 0000000..2878d9f --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Inference.txt @@ -0,0 +1,28 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive simulator deterministic +directive parameters [ + k = 0.003, {distribution=Uniform(0.0001,1)}; + u = 0.1; +] +directive inference {burnin=100; samples=100} +directive data [Join_data] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Initials.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Initials.txt new file mode 100644 index 0000000..ca98d14 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Initials.txt @@ -0,0 +1,23 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive simulator deterministic +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() @ 50 +| 10 Input2() @ 50 +| 0 Output() +| constant 100 Join() +| constant 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-JIT.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-JIT.txt new file mode 100644 index 0000000..87145d5 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-JIT.txt @@ -0,0 +1,18 @@ +directive simulation {final=600} +directive simulator stochastic +directive jit +directive polymers +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Join() = {tb^*}[x tx^]:[x]{to^> +def Reporter() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Leaks.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Leaks.txt new file mode 100644 index 0000000..c9dfa4f --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Leaks.txt @@ -0,0 +1,24 @@ +directive simulation { + final=72000; + plots=[Input1();Input2();Output();Signal()]; +} +directive simulator deterministic +directive parameters [k=0.003;u=0.1] +directive compilation infinite +directive leaks +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Localised.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Localised.txt new file mode 100644 index 0000000..4b98507 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Localised.txt @@ -0,0 +1,23 @@ +directive simulation { + final=600; + plots = [Input1(); Input2(); Signal()]; +} +directive simulator deterministic +directive parameters [k=0.003;u=0.1] +directive compilation infinite +directive polymers +directive locations [l=10000] +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tether(l) tb^*}[b tx^]:[x]{to^> +def Reporter() = [x]{to^* tether(l)} +def Signal() = +( 10 Input1() +| 10 Input2() +| 100 [[ Join() | Reporter() ]] +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Nucleotides.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Nucleotides.txt new file mode 100644 index 0000000..1aa5f59 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Nucleotides.txt @@ -0,0 +1,27 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive simulator deterministic +directive parameters [k=0.003;u=0.1] +directive compilation infinite +directive rendering {mode = nucleotides} +dom tb = {bind=k;unbind=u;colour="red";seq=CTGCTA} +dom tx = {bind=k;unbind=u;colour="green";seq=TTCCAC} +dom to = {bind=k;unbind=u;colour="blue";seq=TCCTAC} +dom b = {seq=CATTGCTTCTACGAGTCATCC} +dom x = {seq=CATTGCACCTTAGAGTCCGAA} +dom fl = {seq=T} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Reactions.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Reactions.txt new file mode 100644 index 0000000..f6c29c5 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Reactions.txt @@ -0,0 +1,26 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive simulator deterministic +directive parameters [k=0.003;u=0.1;r=0.01] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 0 Input1() +| ->{0.1} Input1() +| Input1() ->{0.01} +| Output() + Reporter() ->{r} [x to^] + Signal() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Spatial.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Spatial.txt new file mode 100644 index 0000000..6520d6c --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Spatial.txt @@ -0,0 +1,35 @@ +directive simulation { + final=600; + plots=[Signal()]; +} +directive simulator pde +directive spatial { + boundary = ZeroFlux; + dimensions = 1; + diffusibles = [Input1() = 0.5; Input2() = 0.5]; + xmax = 50; + nx = 101; + dt = 1; +} +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( Input1() = { spatial = { points = + [ {x=0.3; y=0.3; width=0.4; value=10.0}] + } } +| Input2() = { spatial = { points = + [ {x=0.7; y=0.7; width=0.4; value=10.0}] + } } +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Stochastic.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Stochastic.txt new file mode 100644 index 0000000..ef4a8ec --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Stochastic.txt @@ -0,0 +1,24 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive stochastic {scale = 1} +directive simulator stochastic +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Subdomains.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Subdomains.txt new file mode 100644 index 0000000..70c2e75 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Subdomains.txt @@ -0,0 +1,27 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Threshold();Signal()]; +} +directive simulator deterministic +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +dom t = {bind=k; unbind=u; colour="red"} +dom th = {bind=100*k; unbind=u; subdomains=[t;tb]} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Threshold() = {t^* tb^*}[b] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 2 Threshold() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join-Unique.txt b/ClassicDSD/Examples/DSDModels/Manual/Join-Unique.txt new file mode 100644 index 0000000..9a65351 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join-Unique.txt @@ -0,0 +1,26 @@ +directive simulation { + final=600; + plots=[;;;]; +} +directive simulator deterministic +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1(b) = +def Input2(x) = +def Output(x) = +def Join(b,x) = {tb^*}[b tx^]:[x to^] +def Reporter(x) = [x]{to^*} +def Signal(x) = +def System() = + new b new x + ( 10 Input1(b) + | 10 Input2(x) + | 0 Output(x) + | 100 Join(b,x) + | 100 Reporter(x) + | 0 Signal(x) + ) +( System() | System() ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Manual/Join.txt b/ClassicDSD/Examples/DSDModels/Manual/Join.txt new file mode 100644 index 0000000..f97601b --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Manual/Join.txt @@ -0,0 +1,23 @@ +directive simulation { + final=600; + plots=[Input1();Input2();Output();Signal()]; +} +directive simulator deterministic +directive parameters [k=0.003;u=0.1] +directive compilation infinite +dom tb = {bind=k;unbind=u;colour="red"} +dom tx = {bind=k;unbind=u;colour="green"} +dom to = {bind=k;unbind=u;colour="blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Montagne et al., Mol Syst Biol 2011 - Oscillator.txt b/ClassicDSD/Examples/DSDModels/Montagne et al., Mol Syst Biol 2011 - Oscillator.txt new file mode 100644 index 0000000..b54ebd2 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Montagne et al., Mol Syst Biol 2011 - Oscillator.txt @@ -0,0 +1,92 @@ +directive simulation { final=100000; plots=[A(); B(); Inh()] } +directive deterministic { stiff=true } +directive simulator deterministic +directive parameters [ + ka = 4.3333e-04; + kda = 0.0383; + kdb = 0.0135; + kdInhT1 = 9.5e-5; + kdInhT3 = 3.5e-5; + kpol = 0.2833; + kIpol = 0.1150; + knick = 0.05; + kexoa = 0.0053; + kexob = 0.0062; + kexoInh = 0.02; + ku = 0.0; +] +//directive sweeps [ s2 = [inh0 = [0.0;0.1;0.3;0.5;0.8;1.0]] ] +directive unproductive + +dom a = {bind = ka; unbind = kda; colour = "red"} +dom b = {bind = ka; unbind = kdb; colour = "green"} +dom inh = {bind = ka; unbind = kdInhT3; colour = "blue"} + +def Signal(x) = +def Primed(x,y) = [x^]{y^*} +def Extended(x,y) = [x^ y^] +def Template(x,y) = {x^* y^*} +def LHTemplate(x,y) = [x^]{y^*} +def RHTemplate(x,y) = {x^*}[y^] +def Nicked(x,y) = [x^]:[y^] +def Inhibited(x,y) = [y^ x^ y^] + +def Activation(N,x,y,kp,kn) = +( N * Template(x,y) +| rxn Primed(x,y) ->{kp} Extended(x,y) +| rxn Extended(x,y) ->{kn} Nicked(x,y) +| rxn Nicked(x,y) ->{kp} Extended(x,y) + Signal(y) +| 0*Primed(x,y) +| 0*Extended(x,y) +| 0*Nicked(x,y) +) +def Repression(N,x,y,kp,kn) = +( Activation(N,y,y,kp,kn) +| rxn Signal(x) + Template(y,y) <->{ka,kdInhT1} Inhibited(x,y) +| rxn Signal(x) + LHTemplate(y,y) <->{ka,ku} Inhibited(x,y) + Signal(y) +| rxn Signal(x) + RHTemplate(y,y) <->{ka,ku} Inhibited(x,y) + Signal(y) +| 0*Inhibited(x,y) +) +def Exo(x,k) =(rxn Signal(x) ->{k} ) +def A() = Signal(a) +def B() = Signal(b) +def Inh() = Signal(inh) +def Oscillator() = +( 0.1 * A() +| 0.1 * B() +| 0.1 * Inh() +| Activation(5.0,a,b,kpol,knick) +| Activation(30.0,b,inh,kIpol,knick) +| Repression(30.0,inh,a,kpol,knick) +| Exo(a,kexoa) +| Exo(b,kexob) +| Exo(inh,kexoInh) +) +def Catalysis() = +( 0.1 * A() +| 0.1 * B() +| Activation(5.0,a,b,kpol,knick) +) + +(* +Oscillator() +Catalysis() +(Signal(A) | Activation(1.0,A,A) | Exo(A)) + +(inh0 * Signal(Inh) +|0.01 * Signal(A) +| Repression(1.0,Inh,A)) + +(0.1 * Signal(A) +|0.1 * Signal(B) +|0.1 * Signal(C) +| Activation(1.0,A,B) +| Activation(1.0,B,C) +| Repression (10.0,C,A) +| Exo(A) +| Exo(B) +| Exo(C) +) +*) +Oscillator() + diff --git a/ClassicDSD/Examples/DSDModels/Nature Nanotech 2013 - Consensus Modules.txt b/ClassicDSD/Examples/DSDModels/Nature Nanotech 2013 - Consensus Modules.txt new file mode 100644 index 0000000..c0db03a --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Nature Nanotech 2013 - Consensus Modules.txt @@ -0,0 +1,301 @@ +directive simulation {initial=0; final=43200; points=1000; plots=[; ; ]} +directive simulator deterministic +directive parameters [ + ka = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + kq = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + kr = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + kb = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + kc = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ua = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + ub = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + ur = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uq = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uc = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + kt = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ku1 = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ku2 = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ku3 = 0.0003, {interval=Log; distribution=Uniform(1E-05,0.002); variation=Random}; + ut = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uu1 = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uu2 = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + uu3 = 0.1, {interval=Log; distribution=Uniform(0.0001,20); variation=Fixed}; + X = 50, {interval=Real; distribution=Uniform(50,50); variation=Fixed}; + NG = 75, {interval=Real; distribution=Uniform(75,75); variation=Fixed}; + NH = 100, {interval=Real; distribution=Uniform(100,100); variation=Fixed}; + NR = 150, {interval=Real; distribution=Uniform(150,150); variation=Fixed}; + Xv = 40, {interval=Real; distribution=Uniform(40,40); variation=Fixed}; + NGv = 120, {interval=Real; distribution=Uniform(120,120); variation=Fixed}; + NHv = 120, {interval=Real; distribution=Uniform(120,120); variation=Fixed}; + NRv = 120, {interval=Real; distribution=Uniform(120,120); variation=Fixed}; + Xh = 10, {interval=Real; distribution=Uniform(10,10); variation=Fixed}; + NGh = 15, {interval=Real; distribution=Uniform(15,15); variation=Fixed}; + NHh = 20, {interval=Real; distribution=Uniform(20,20); variation=Fixed}; + NRh = 30, {interval=Real; distribution=Uniform(30,30); variation=Fixed}; + Xi = 10, {interval=Real; distribution=Uniform(10,10); variation=Fixed}; + NGi = 30, {interval=Real; distribution=Uniform(30,30); variation=Fixed}; + NHi = 30, {interval=Real; distribution=Uniform(30,30); variation=Fixed}; + NRi = 30, {interval=Real; distribution=Uniform(30,30); variation=Fixed}; + NMi = 100, {interval=Real; distribution=Uniform(100,100); variation=Fixed}; + Xr = 1, {interval=Real; distribution=Uniform(1,1); variation=Fixed}; + NRr = 3, {interval=Real; distribution=Uniform(3,3); variation=Fixed}; + Xm = 40, {interval=Real; distribution=Uniform(40,40); variation=Fixed}; + NGm = 80, {interval=Real; distribution=Uniform(80,80); variation=Fixed}; + NHm = 80, {interval=Real; distribution=Uniform(80,80); variation=Fixed}; + NRm = 120, {interval=Real; distribution=Uniform(120,120); variation=Fixed}; + leakXY2B_J = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badXY2B_X = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakXY2B_F = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badXY2B_Y = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakBX2X_J = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badBX2X_B = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakBX2X_F = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badBX2X_X = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakBY2Y_J = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badBY2Y_B = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakBY2Y_F = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badBY2Y_Y = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_B = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_B = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_X = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_X = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_H = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_H = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_B = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_B = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_Y = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_Y = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_H = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_H = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_X = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_X = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_Y = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_Y = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_H = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_H = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2B_R = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2B_R = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2B_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2B_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2B_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2B_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2X_R = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2X_R = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2X_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2X_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2X_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2X_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2Y_R = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2Y_R = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2Y_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2Y_H1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakFork2Y_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badFork2Y_H2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBX_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBX_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinBY_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinBY_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_R1 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_R2 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; + leakJoinXY_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.1); variation=Fixed}; + badJoinXY_R3 = 0.01, {interval=Real; distribution=Uniform(0,0.3); variation=Fixed}; +] +directive compilation infinite +directive declare +new fl @ 0.0, 0.0 +def Input(ta, a) = +def Catalyst(tb, b) = +def Helper(tr, r) = +def Output(tc, c) = +def Translator(r, tq) = +def InputR(a, tb) = +def OutputR(c, tr) = +def CatalystR(b, tr) = +def Output1R(b, tr) = +def Output2R(c, tb) = +def Output3R(d, tc) = +def End(i, tc) = +def Signal_Fork(c, fl) = +def Signal_Join(fl, r) = +def Rep_Fork(tc, c) = {tc^*}[c] +def Rep_Join(r, tq) = [r]{tq^*} +def Join_AB(ta, a, tb, b, tr, r, tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join_ABRev(ta, a, tb, b, tr, r, tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork_C(i, tc, c, tr, r, tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i, tc, c, tb, b, tr, r, tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i, td, d, tc, c, tb, b, tr, r, tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Join(NA, NB, NH, NG, NV, Leak, ta, a, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Join_AB(ta,a,tb,b,tr,r,tq) + | (NG * Leak) * Translator(r,tq) + | NA * Input(ta,a) + | NB * Catalyst(tb,b) + | NH * Helper(tr,r) + | NV * InputR(a,tb) + | NV * CatalystR(b,tr))) +def JoinRev(NA, NB, NH, NG, NV, Leak, ta, a, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Join_ABRev(ta,a,tb,b,tr,r,tq) + | (NG * Leak) * Input(ta,a) + | NA * Translator(r,tq) + | NB * CatalystR(b,tr) + | NH * InputR(a,tb) + | NV * Helper(tr,r) + | NV * Catalyst(tb,b))) +def Fork(N, NH1, NH2, NG, Leak, i, tc, c, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Fork_C(i,tc,c,tr,r,tq) + | (NG * Leak) * Output(tc,c) + | N * Translator(r,tq) + | NH1 * OutputR(c,tr) + | NH2 * End(i,tc) + | 0.0 * Helper(tr,r))) +def Fork2(N, NH1, NH2, NH3, NG, Leak, i, tc, c, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Fork_BC(i,tc,c,tb,b,tr,r,tq) + | (NG * Leak) * Output(tc,c) + | N * Translator(r,tq) + | NH1 * CatalystR(b,tr) + | NH2 * OutputR(c,tb) + | NH3 * End(i,tc) + | 0.0 * Helper(tr,r) + | 0.0 * Catalyst(tb,b))) +def Fork3(N, NH1, NH2, NH3, NH4, NG, Leak, i, td, d, tc, c, tb, b, tr, r, tq) = + (( (NG * (1.0 - Leak)) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) + | N * Translator(r,tq) + | NH1 * Output1R(b,tr) + | NH2 * Output2R(c,tb) + | NH3 * Output3R(d,tc) + | NH4 * End(i,td) + | 0.0 * Helper(tr,r))) +def RepJoin(N, NR, r, tq) = + (( N * Translator(r,tq) + | NR * Rep_Join(r,tq) + | 0.0 * Signal_Join(fl,r))) +def RepFork(N, NR, tc, c) = + (( N * Output(tc,c) + | NR * Rep_Fork(tc,c) + | 0.0 * Signal_Fork(c,fl))) +dom t = {seq = CTGATC; bind = kt; unbind = ut} +dom u1 = {seq = CTTCAG; bind = ku1; unbind = ut} +dom u2 = {seq = CCATAC; bind = ku2; unbind = ut} +dom u3 = {seq = ATACCC; bind = ku3; unbind = ut} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} +def RepJoinBX(NR) = RepJoin(0.0,NR,rbx,u1) +def RepJoinBY(NR) = RepJoin(0.0,NR,rby,u1) +def RepJoinXY(NR) = RepJoin(0.0,NR,rxy,u1) +def RepJoinRevB(NR) = RepFork(0.0,NR,t,b) +def RepJoinRevX(NR) = RepFork(0.0,NR,t,x) +def JoinBX(NB, NX, NH, NG, Leak) = Join(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBY(NB, NY, NH, NG, Leak) = Join(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXY(NX, NY, NH, NG, Leak) = Join(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def JoinBXRev(NB, NX, NH, NG, Leak) = JoinRev(NB,NX,NH,NG,0.0,Leak,t,b,t,x,t,rbx,u1) +def JoinBYRev(NB, NY, NH, NG, Leak) = JoinRev(NB,NY,NH,NG,0.0,Leak,t,b,t,y,t,rby,u1) +def JoinXYRev(NX, NY, NH, NG, Leak) = JoinRev(NX,NY,NH,NG,0.0,Leak,t,x,t,y,t,rxy,u1) +def Fork2B(NT, NH1, NH2, NH3, NH4, NG, Leak, NR) = + (( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) + | RepFork((NG * Leak),NR,u3,pb))) +def ForkXY2B(NT, NH1, NH2, NH3, NH4, NG, Leak, NR) = + (( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1) + | RepFork((NG * Leak),NR,t,b))) +def Fork2X(NT, NH1, NH2, NH3, NH4, NG, Leak, NR) = + (( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1) + | RepFork((NG * Leak),NR,u3,px))) +def Fork2Y(NT, NH1, NH2, NH3, NH4, NG, Leak, NR) = + (( Fork3(NT,NH1,NH2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1) + | RepFork((NG * Leak),NR,u3,py))) +def JoinBX_AddB(N) = + (( JoinBX(((N * Xi) * (1.0 - badJoinBX_B)),NMi,NMi,NGi,leakJoinBX_B) + | RepJoinBX(NRi))) +def JoinBX_AddX(N) = + (( JoinBX(NMi,((N * Xi) * (1.0 - badJoinBX_X)),NMi,NGi,leakJoinBX_X) + | RepJoinBX(NRi))) +def JoinBX_AddH(N) = + (( JoinBX(NMi,NMi,((N * Xi) * (1.0 - badJoinBX_H)),NGi,leakJoinBX_H) + | RepJoinBX(NRi))) +def JoinBY_AddB(N) = + (( JoinBY(((N * Xi) * (1.0 - badJoinBY_B)),NMi,NMi,NGi,leakJoinBY_B) + | RepJoinBY(NRi))) +def JoinBY_AddY(N) = + (( JoinBY(NMi,((N * Xi) * (1.0 - badJoinBY_Y)),NMi,NGi,leakJoinBY_Y) + | RepJoinBY(NRi))) +def JoinBY_AddH(N) = + (( JoinBY(NMi,NMi,((N * Xi) * (1.0 - badJoinBY_H)),NGi,leakJoinBY_H) + | RepJoinBY(NRi))) +def JoinXY_AddX(N) = + (( JoinXY(((N * Xi) * (1.0 - badJoinXY_X)),NMi,NMi,NGi,leakJoinXY_X) + | RepJoinXY(NRi))) +def JoinXY_AddY(N) = + (( JoinXY(NMi,((N * Xi) * (1.0 - badJoinXY_Y)),NMi,NGi,leakJoinXY_Y) + | RepJoinXY(NRi))) +def JoinXY_AddH(N) = + (( JoinXY(NMi,NMi,((N * Xi) * (1.0 - badJoinXY_H)),NGi,leakJoinXY_H) + | RepJoinXY(NRi))) +def Fork2B_AddR(N) = ( Fork2B(((N * Xi) * (1.0 - badFork2B_R)),NMi,NMi,NMi,NMi,NGi,leakFork2B_R,NRi)) +def Fork2B_AddH1(N) = ( Fork2B(NMi,((N * Xi) * (1.0 - badFork2B_H1)),NMi,NMi,NMi,NGi,leakFork2B_H1,NRi)) +def Fork2B_AddH2(N) = ( Fork2B(NMi,NMi,((N * Xi) * (1.0 - badFork2B_H2)),NMi,NMi,NGi,leakFork2B_H2,NRi)) +def Fork2X_AddR(N) = ( Fork2X(((N * Xi) * (1.0 - badFork2X_R)),NMi,NMi,NMi,NMi,NGi,leakFork2X_R,NRi)) +def Fork2X_AddH1(N) = ( Fork2X(NMi,((N * Xi) * (1.0 - badFork2X_H1)),NMi,NMi,NMi,NGi,leakFork2X_H1,NRi)) +def Fork2X_AddH2(N) = ( Fork2X(NMi,NMi,((N * Xi) * (1.0 - badFork2X_H2)),NMi,NMi,NGi,leakFork2X_H2,NRi)) +def Fork2Y_AddR(N) = ( Fork2Y(((N * Xi) * (1.0 - badFork2Y_R)),NMi,NMi,NMi,NMi,NGi,leakFork2Y_R,NRi)) +def Fork2Y_AddH1(N) = ( Fork2Y(NMi,((N * Xi) * (1.0 - badFork2Y_H1)),NMi,NMi,NMi,NGi,leakFork2Y_H1,NRi)) +def Fork2Y_AddH2(N) = ( Fork2Y(NMi,NMi,((N * Xi) * (1.0 - badFork2Y_H2)),NMi,NMi,NGi,leakFork2Y_H2,NRi)) +def JoinBX_AddRev1(N) = + (( JoinBXRev(NMi,NMi,((N * Xi) * (1.0 - badJoinBX_R1)),NGi,leakJoinBX_R1) + | RepJoinRevB(NRi))) +def JoinBX_AddRev2(N) = + (( JoinBXRev(NMi,((N * Xi) * (1.0 - badJoinBX_R2)),NMi,NGi,leakJoinBX_R2) + | RepJoinRevB(NRi))) +def JoinBX_AddRev3(N) = + (( JoinBXRev(((N * Xi) * (1.0 - badJoinBX_R3)),NMi,NMi,NGi,leakJoinBX_R3) + | RepJoinRevB(NRi))) +def JoinBY_AddRev1(N) = + (( JoinBYRev(NMi,NMi,((N * Xi) * (1.0 - badJoinBY_R1)),NGi,leakJoinBY_R1) + | RepJoinRevB(NRi))) +def JoinBY_AddRev2(N) = + (( JoinBYRev(NMi,((N * Xi) * (1.0 - badJoinBY_R2)),NMi,NGi,leakJoinBY_R2) + | RepJoinRevB(NRi))) +def JoinBY_AddRev3(N) = + (( JoinBYRev(((N * Xi) * (1.0 - badJoinBY_R3)),NMi,NMi,NGi,leakJoinBY_R3) + | RepJoinRevB(NRi))) +def JoinXY_AddRev1(N) = + (( JoinXYRev(NMi,NMi,((N * Xi) * (1.0 - badJoinXY_R1)),NGi,leakJoinXY_R1) + | RepJoinRevX(NRi))) +def JoinXY_AddRev2(N) = + (( JoinXYRev(NMi,((N * Xi) * (1.0 - badJoinXY_R2)),NMi,NGi,leakJoinXY_R2) + | RepJoinRevX(NRi))) +def JoinXY_AddRev3(N) = + (( JoinXYRev(((N * Xi) * (1.0 - badJoinXY_R3)),NMi,NMi,NGi,leakJoinXY_R3) + | RepJoinRevX(NRi))) +def XY2B(Nx, Ny, X, NH, NG, NR) = + (( JoinXY(((X * Nx) * (1.0 - badXY2B_X)),((X * Ny) * (1.0 - badXY2B_Y)),NH,NG,leakXY2B_J) + | ForkXY2B(0.0,NH,NH,NH,NH,NG,leakXY2B_F,NR))) +def BX2X(N, X, NH, NG, NR) = + (( JoinBX((X * (1.0 - badBX2X_B)),((X * N) * (1.0 - badBX2X_B)),NH,NG,leakBX2X_J) + | Fork2X(0.0,NH,NH,NH,NH,NG,leakBX2X_F,NR))) +def BY2Y(N, X, NH, NG, NR) = + (( JoinBY((X * (1.0 - badBY2Y_B)),((X * N) * (1.0 - badBY2Y_B)),NH,NG,leakBY2Y_J) + | Fork2Y(0.0,NH,NH,NH,NH,NG,leakBY2Y_F,NR))) +def AM(Nx, Ny) = + (( XY2B(Nx,Ny,Xm,NHm,NGm,NRm) + | BX2X(0.0,0.0,NHm,NGm,NRm) + | BY2Y(0.0,0.0,(NHm * 1.2),(NGm * 1.2),NRm) + | (NHm * 0.8) * )) +def N = 0.4 +def Nx = 0.3 +def Ny = 0.7 +JoinBX_AddRev3(N) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Nature Nanotech 2013 - Consensus Parameterized.txt b/ClassicDSD/Examples/DSDModels/Nature Nanotech 2013 - Consensus Parameterized.txt new file mode 100644 index 0000000..a67e3ce --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Nature Nanotech 2013 - Consensus Parameterized.txt @@ -0,0 +1,498 @@ +//no_auto_test +directive compilation infinite // detailed, infinite +directive declare +directive units {time=h; concentration=nM} +directive simulator deterministic //deterministic, sundials +directive deterministic { reltolerance = 1e-8; stiff = true } +directive inference { burnin=5000; samples=10000; thin=5; partial=true } + +directive sweeps [ + Rep_rxyu1 = [ N = [0.2;0.4;0.6;0.8]; runRep_rxyu1 = [1] ]; + Rep_rbxu1 = [ N = [0.2;0.4;0.6;0.8]; runRep_rbxu1 = [1] ]; + Rep_rbyu1 = [ N = [0.2;0.4;0.6;0.8]; runRep_rbyu1 = [1] ]; + Rep_u3pb = [ N = [0.2;0.4;0.6;0.8]; runRep_u3pb = [1] ]; + Rep_u3px = [ N = [0.2;0.4;0.6;0.8]; runRep_u3px = [1] ]; + Rep_u3py = [ N = [0.2;0.4;0.6]; runRep_u3py = [1] ]; + Rep_tb = [ N = [0.2;0.4;0.6;0.8]; runRep_tb = [1] ]; + Rep_tx = [ N = [0.2;0.4;0.6;0.8]; runRep_tx = [1] ]; + JoinBX_AddB = [ N = [0.0;0.2;0.4;0.6]; runJoinBX_AddB = [1] ]; + JoinBX_AddX = [ N = [0.0;0.2;0.4;0.6]; runJoinBX_AddX = [1] ]; + JoinBX_AddH = [ N = [0.0;0.2;0.4;0.6]; runJoinBX_AddH = [1] ]; + JoinBX_AddRev1 = [ N = [0.0;0.2;0.4;0.6]; runJoinBX_AddRev1 = [1] ]; + JoinBX_AddRev2 = [ N = [0.0;0.2;0.4;0.6]; runJoinBX_AddRev2 = [1] ]; + JoinBX_AddRev3 = [ N = [0.0;0.2;0.4;0.6]; runJoinBX_AddRev3 = [1] ]; + JoinBY_AddB = [ N = [0.0;0.2;0.4;0.6]; runJoinBY_AddB = [1] ]; + JoinBY_AddY = [ N = [0.0;0.2;0.4;0.6]; runJoinBY_AddY = [1] ]; + JoinBY_AddH = [ N = [0.0;0.2;0.4;0.6]; runJoinBY_AddH = [1] ]; + JoinBY_AddRev1 = [ N = [0.0;0.2;0.4;0.6]; runJoinBY_AddRev1 = [1] ]; + JoinBY_AddRev2 = [ N = [0.0;0.2;0.4;0.6]; runJoinBY_AddRev2 = [1] ]; + JoinBY_AddRev3 = [ N = [0.0;0.2;0.4;0.6]; runJoinBY_AddRev3 = [1] ]; + JoinXY_AddX = [ N = [0.0;0.2;0.4;0.6]; runJoinXY_AddX = [1] ]; + JoinXY_AddY = [ N = [0.0;0.2;0.4;0.6]; runJoinXY_AddY = [1] ]; + JoinXY_AddH = [ N = [0.0;0.2;0.4;0.6]; runJoinXY_AddH = [1] ]; + JoinXY_AddRev1 = [ N = [0.0;0.2;0.4;0.6]; runJoinXY_AddRev1 = [1] ]; + JoinXY_AddRev2 = [ N = [0.0;0.2;0.4;0.6]; runJoinXY_AddRev2 = [1] ]; + JoinXY_AddRev3 = [ N = [0.0;0.2;0.4;0.6]; runJoinXY_AddRev3 = [1] ]; + Fork2X_AddR = [ N = [0.0;0.2;0.4;0.6]; runFork2X_AddR = [1] ]; + Fork2X_AddH1 = [ N = [0.0;0.2;0.4;0.6]; runFork2X_AddH1 = [1] ]; + Fork2X_AddH2 = [ N = [0.0;0.2;0.4;0.6]; runFork2X_AddH2 = [1] ]; + Fork2B_AddR = [ N = [0.0;0.2;0.4;0.6]; runFork2B_AddR = [1] ]; + Fork2B_AddH1 = [ N = [0.0;0.2;0.4;0.6]; runFork2B_AddH1 = [1] ]; + Fork2B_AddH2 = [ N = [0.0;0.2;0.4;0.6]; runFork2B_AddH2 = [1] ]; + Fork2Y_AddR = [ N = [0.0;0.2;0.4;0.6]; runFork2Y_AddR = [1] ]; + Fork2Y_AddH1 = [ N = [0.0;0.2;0.4;0.6]; runFork2Y_AddH1 = [1] ]; + Fork2Y_AddH2 = [ N = [0.0;0.2;0.4;0.6]; runFork2Y_AddH2 = [1] ]; + BX2X = [ N = [0.0;0.1;0.3;1.0]; runBX2X = [1] ]; + BY2Y = [ N = [0.0;0.1;0.3;1.0]; runBY2Y = [1] ]; + XY2B = [ (Nx,Ny) = [(0.0,0.0);(0.7,0.3);(0.3,0.7);(0.8,0.2)]; runXY2B = [1] ]; + AM80_87 = [ (Nx,Ny) = [(0.8,0.2);(0.2,0.8);(0.7,0.3);(0.3,0.7)]; runAM = [1] ]; + AM80_96 = [ (Nx,Ny) = [(0.9,0.1);(0.1,0.9);(0.6,0.4);(0.4,0.6)]; runAM = [1] ]; + AM80_87_XYB = [ (Nx,Ny) = [(0.8,0.2);(0.2,0.8);(0.7,0.3);(0.3,0.7)]; runAM = [1] ]; + AM80_96_XYB = [ (Nx,Ny) = [(0.9,0.1);(0.1,0.9);(0.6,0.4);(0.4,0.6)]; runAM = [1] ]; +] +directive simulation {sweeps = [Rep_rxyu1]; data = [Rep_rxyu1]; plots = []; final = 9.9; prune = true } +directive data [ + Rep_rxyu1; Rep_rbxu1; Rep_rbyu1; Rep_u3pb; Rep_u3px; Rep_u3py; Rep_tb; Rep_tx; //Reporters + JoinBX_AddB; JoinBX_AddX; JoinBX_AddH; JoinBX_AddRev1; JoinBX_AddRev2; JoinBX_AddRev3; //JoinBX + JoinBY_AddB; JoinBY_AddY; JoinBY_AddH; JoinBY_AddRev1; JoinBY_AddRev2; JoinBY_AddRev3; //JoinBY + JoinXY_AddX; JoinXY_AddY; JoinXY_AddH; JoinXY_AddRev1; JoinXY_AddRev2; JoinXY_AddRev3; //JoinXY + Fork2X_AddR; Fork2X_AddH1; Fork2X_AddH2; //Fork2X + Fork2B_AddR; Fork2B_AddH1; Fork2B_AddH2; //Fork2B + Fork2Y_AddR; Fork2Y_AddH1; Fork2Y_AddH2; //Fork2Y + BX2X; BY2Y; XY2B; AM80_87; AM80_96; AM80_87_XYB; AM80_96_XYB; //AM +] + +directive simulations [ + Rep_rxyu1 = {sweeps = [Rep_rxyu1]; data = [Rep_rxyu1]; plots = []; final = 9.9; prune = true }; + Rep_rbxu1 = {sweeps = [Rep_rbxu1]; data = [Rep_rbxu1]; plots = []; final = 1.1; prune = true }; + Rep_rbyu1 = {sweeps = [Rep_rbyu1]; data = [Rep_rbyu1]; plots = []; final = 2.0; prune = true }; + Rep_u3pb = {sweeps = [Rep_u3pb]; data = [Rep_u3pb]; plots = []; final = 1.1; prune = true }; + Rep_u3px = {sweeps = [Rep_u3px]; data = [Rep_u3px]; plots = []; final = 1.3; prune = true }; + Rep_u3py = {sweeps = [Rep_u3py]; data = [Rep_u3py]; plots = []; final = 1.7; prune = true }; + Rep_tb = {sweeps = [Rep_tb]; data = [Rep_tb]; plots = []; final = 1.5; prune = true }; + Rep_tx = {sweeps = [Rep_tx]; data = [Rep_tx]; plots = []; final = 1.5; prune = true }; + JoinBX_AddB = {sweeps = [JoinBX_AddB]; data = [JoinBX_AddB]; plots = []; final = 7.1; prune = true }; + JoinBX_AddX = {sweeps = [JoinBX_AddX]; data = [JoinBX_AddX]; plots = []; final = 13.9; prune = true }; + JoinBX_AddH = {sweeps = [JoinBX_AddH]; data = [JoinBX_AddH]; plots = []; final = 2.6; prune = true }; + JoinBX_AddRev1 = {sweeps = [JoinBX_AddRev1]; data = [JoinBX_AddRev1]; plots = []; final = 1.9; prune = true }; + JoinBX_AddRev2 = {sweeps = [JoinBX_AddRev2]; data = [JoinBX_AddRev2]; plots = []; final = 4.2; prune = true }; + JoinBX_AddRev3 = {sweeps = [JoinBX_AddRev3]; data = [JoinBX_AddRev3]; plots = []; final = 13.4; prune = true }; + JoinBY_AddB = {sweeps = [JoinBY_AddB]; data = [JoinBY_AddB]; plots = []; final = 15.9; prune = true }; + JoinBY_AddY = {sweeps = [JoinBY_AddY]; data = [JoinBY_AddY]; plots = []; final = 4.9; prune = true }; + JoinBY_AddH = {sweeps = [JoinBY_AddH]; data = [JoinBY_AddH]; plots = []; final = 2.3; prune = true }; + JoinBY_AddRev1 = {sweeps = [JoinBY_AddRev1]; data = [JoinBY_AddRev1]; plots = []; final = 2.5; prune = true }; + JoinBY_AddRev2 = {sweeps = [JoinBY_AddRev2]; data = [JoinBY_AddRev2]; plots = []; final = 6.4; prune = true }; + JoinBY_AddRev3 = {sweeps = [JoinBY_AddRev3]; data = [JoinBY_AddRev3]; plots = []; final = 12.9; prune = true }; + JoinXY_AddX = {sweeps = [JoinXY_AddX]; data = [JoinXY_AddX]; plots = []; final = 12.5; prune = true }; + JoinXY_AddY = {sweeps = [JoinXY_AddY]; data = [JoinXY_AddY]; plots = []; final = 3.5; prune = true }; + JoinXY_AddH = {sweeps = [JoinXY_AddH]; data = [JoinXY_AddH]; plots = []; final = 3.5; prune = true }; + JoinXY_AddRev1 = {sweeps = [JoinXY_AddRev1]; data = [JoinXY_AddRev1]; plots = []; final = 2.1; prune = true }; + JoinXY_AddRev2 = {sweeps = [JoinXY_AddRev2]; data = [JoinXY_AddRev2]; plots = []; final = 5.0; prune = true }; + JoinXY_AddRev3 = {sweeps = [JoinXY_AddRev3]; data = [JoinXY_AddRev3]; plots = []; final = 12.6; prune = true }; + Fork2X_AddR = {sweeps = [Fork2X_AddR]; data = [Fork2X_AddR]; plots = []; final = 14.9; prune = true }; + Fork2X_AddH1 = {sweeps = [Fork2X_AddH1]; data = [Fork2X_AddH1]; plots = []; final = 8.2; prune = true }; + Fork2X_AddH2 = {sweeps = [Fork2X_AddH2]; data = [Fork2X_AddH2]; plots = []; final = 6.1; prune = true }; + Fork2B_AddR = {sweeps = [Fork2B_AddR]; data = [Fork2B_AddR]; plots = []; final = 4.4; prune = true }; + Fork2B_AddH1 = {sweeps = [Fork2B_AddH1]; data = [Fork2B_AddH1]; plots = []; final = 11.1; prune = true }; + Fork2B_AddH2 = {sweeps = [Fork2B_AddH2]; data = [Fork2B_AddH2]; plots = []; final = 4.4; prune = true }; + Fork2Y_AddR = {sweeps = [Fork2Y_AddR]; data = [Fork2Y_AddR]; plots = []; final = 19.2; prune = true }; + Fork2Y_AddH1 = {sweeps = [Fork2Y_AddH1]; data = [Fork2Y_AddH1]; plots = []; final = 24.7; prune = true }; + Fork2Y_AddH2 = {sweeps = [Fork2Y_AddH2]; data = [Fork2Y_AddH2]; plots = []; final = 16.9; prune = true }; + BX2X = {sweeps = [BX2X]; data = [BX2X]; plots = []; final = 18.9; prune = true }; //19.0 + BY2Y = {sweeps = [BY2Y]; data = [BY2Y]; plots = []; final = 17.0; prune = true }; //17.1 + XY2B = {sweeps = [XY2B]; data = [XY2B]; plots = []; final = 7.0; prune = true }; //7.1 + AM80_87 = {sweeps = [AM80_87]; data = [AM80_87]; plots = [;;]; final = 15.0; prune = true }; + AM80_96 = {sweeps = [AM80_96]; data = [AM80_96]; plots = [;;]; final = 15.0; prune = true }; + //AM80_87_XYB = {sweeps = [AM80_87_XYB]; data = [AM80_87_XYB]; plots = [ + - ; + - ; 2 * - - ]; final = 15.0 }; + //AM80_96_XYB = {sweeps = [AM80_96_XYB]; data = [AM80_96_XYB]; plots = [ + - ; + - ; 2 * - - ]; final = 15.0 }; +] + +directive parameters [ + kt = 2.39907822407132, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + +(* Unique context *) + mRepJoinBX = 0.330409478372343, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepJoinBY = 0.195022555302614, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepJoinXY = 0.28792982640174, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepB = 0.936212548050403, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepX = 1.89623194461531, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepFork2B = 0.705992340255082, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepFork2X = 2.33651032891356, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepFork2Y = 0.390195181800155, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + t0Rep_rxyu1 = 0.107939489147304, {distribution = Uniform(0.0833, 0.16211); variation = Fixed}; + t0Rep_rbxu1 = 0.113303470294027, {distribution = Uniform(0.0833, 0.15467); variation = Fixed}; + t0Rep_rbyu1 = 0.111461253376227, {distribution = Uniform(0.0833, 0.16094); variation = Fixed}; + t0Rep_u3pb = 0.0836562120255087, {distribution = Uniform(0.0833, 0.15131); variation = Fixed}; + t0Rep_u3px = 0.0877810388094365, {distribution = Uniform(0.0833, 0.156); variation = Fixed}; + t0Rep_u3py = 0.0834781314697647, {distribution = Uniform(0.0833, 0.15036); variation = Fixed}; + t0Rep_tb = 0.0942529381496787, {distribution = Uniform(0.0833, 0.14628); variation = Fixed}; + t0Rep_tx = 0.105530280335228, {distribution = Uniform(0.0833, 0.13692); variation = Fixed}; + + leakBX2X_J = 0.0, {distribution = Uniform(0.0, 0.3); interval = Real}; + leakBY2Y_J = 0.0, {distribution = Uniform(0.0, 0.3); interval = Real}; + + kJ1 = 0.0204964555980685, {distribution = Uniform(0.01, 100.0)}; + kJ1r = 0.585039224523331, {distribution = Uniform(0.01, 100.0)}; + kJ2 = 1.42853444981608, {distribution = Uniform(0.01, 100.0)}; + kJ2r = 0.237572367092801, {distribution = Uniform(0.01, 100.0)}; + kJ3 = 1.48828869653376, {distribution = Uniform(0.01, 100.0)}; + kJ3r = 0.0196729632011412, {distribution = Uniform(0.01, 100.0)}; + kF1 = 0.079210535760631, {distribution = Uniform(0.01, 100.0)}; + kF1r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0)}; + kF2 = 0.0788609544911219, {distribution = Uniform(0.01, 100.0)}; + kF2r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + kF3 = 0.102518024423917, {distribution = Uniform(0.01, 100.0)}; + kF3r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + kF4 = 0.102518024423917, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + kF5 = 0.102518024423917, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + kF2Y1 = 0.0137493238867182, {distribution = Uniform(0.01, 100.0)}; + + kl = 2.51055199657701E-05, {distribution = Uniform(1.0E-8, 1.0E-3); variation = Fixed}; + + (* Separate rate per fluorophore + mRepJoin =75892.794458, {distribution = Uniform(10.0,10000000.0)}; + *) + + (* Detailed model + ku1 = 1.0, {distribution = Uniform(0.01,100.0)}; + ku2 = 1.0, {distribution = Uniform(0.01,100.0)}; + ku3 = 1.0, {distribution = Uniform(0.01,100.0)}; + ut = 100.0, {distribution = Uniform(100.0,10000.0)}; + uu1 = 100.0, {distribution = Uniform(100.0,10000.0)}; + uu2 = 100.0, {distribution = Uniform(100.0,10000.0)}; + uu3 = 100.0, {distribution = Uniform(100.0,10000.0)}; + *) + + (* Concentrations *) + X = 50.0; NG = 75.0; NH = 100.0; NR = 150.0; (* Default *) + Xv = 40.0; NGv = 120.0; NHv = 120.0; NRv = 120.0; (* Reversibles *) + Xh = 10.0; NGh = 15.0; NHh = 20.0; NRh = 30.0; (* Halves *) + Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; (* Intermediates *) + Xr = 4.0; NRr = 12.0; (* Reporters *) + (*Xm = 40.0; NGm = 80.0; NHm = 80.0; NRm = 120.0; *) + Xm = 80.0; NGm = 160.0; NHm = 160.0; NRm = 240.0; (* Consensus *) + N = 0.0; Nx = 0.0; Ny = 0.0; + + (* Run variables *) + runRep_rxyu1 = 0.0; runRep_rbxu1 = 0.0; runRep_rbyu1 = 0.0; + runRep_u3pb = 0.0; runRep_u3px = 0.0; runRep_u3py = 0.0; + runRep_tb = 0.0; runRep_tx = 0.0; tend = 2.0; + runJoinBX_AddB = 0.0; runJoinBX_AddX = 0.0; runJoinBX_AddH = 0.0; + runJoinBY_AddB = 0.0; runJoinBY_AddY = 0.0; runJoinBY_AddH = 0.0; + runJoinXY_AddX = 0.0; runJoinXY_AddY = 0.0; runJoinXY_AddH = 0.0; + runFork2B_AddR = 0.0; runFork2B_AddH1 = 0.0; runFork2B_AddH2 = 0.0; + runFork2X_AddR = 0.0; runFork2X_AddH1 = 0.0; runFork2X_AddH2 = 0.0; + runFork2Y_AddR = 0.0; runFork2Y_AddH1 = 0.0; runFork2Y_AddH2 = 0.0; + runJoinBX_AddRev1 = 0.0; runJoinBX_AddRev2 = 0.0; runJoinBX_AddRev3 = 0.0; + runJoinBY_AddRev1 = 0.0; runJoinBY_AddRev2 = 0.0; runJoinBY_AddRev3 = 0.0; + runJoinXY_AddRev1 = 0.0; runJoinXY_AddRev2 = 0.0; runJoinXY_AddRev3 = 0.0; + runXY2B = 0.0; runBX2X = 0.0; runBY2Y = 0.0; runAM = 0.0; +] + +(* Trying to constrain the fork rates *) +def kF2r = kF1r +def kF3r = kF1r +def kF4 = kF3 +def kF5 = kF3 + +def kJBX1 = kJ1 def kJBX1r = kJ1r def kJBX2 = kJ2 def kJBX2r = kJ2r def kJBX3 = kJ3 def kJBX3r = kJ3r +def kJBY1 = kJ1 def kJBY1r = kJ1r def kJBY2 = kJ2 def kJBY2r = kJ2r def kJBY3 = kJ3 def kJBY3r = kJ3r +def kJXY1 = kJ1 def kJXY1r = kJ1r def kJXY2 = kJ2 def kJXY2r = kJ2r def kJXY3 = kJ3 def kJXY3r = kJ3r +def kF2B1 = kF1 def kF2B1r = kF1r def kF2B2 = kF2 def kF2B2r = kF2r def kF2B3 = kF3 def kF2B3r = kF3r def kF2B4 = kF4 def kF2B5 = kF5 +def kF2X1 = kF1 def kF2X1r = kF1r def kF2X2 = kF2 def kF2X2r = kF2r def kF2X3 = kF3 def kF2X3r = kF3r def kF2X4 = kF4 def kF2X5 = kF5 + def kF2Y1r = kF1r def kF2Y2 = kF2 def kF2Y2r = kF2r def kF2Y3 = kF3 def kF2Y3r = kF3r def kF2Y4 = kF4 def kF2Y5 = kF5 +(*def kF2Y1 = kF1*) + +(* Separate rate for fluorophore +def mRepFork2B = mRepX +def mRepJoinBX = mRepJoin +def mRepJoinBY = mRepJoin +def mRepJoinXY = mRepJoin +*) + +def ku1 = kt def ku2 = kt def ku3 = kt +def ut =0.0 def uu1=0.0 def uu2 = 0.0 def uu3=0.0 + +(* Base *) +new X0 new Y0 + +def t0JoinBX_B = 1.0 def leakJoinBX_B = 0.24322014 def badJoinBX_B = (6.0 + 0.32425231 - 5.9000668) / 6.0 +def t0JoinBX_X = 1.0 def leakJoinBX_X = 0.11946842 def badJoinBX_X = (6.0 + 0.24609909 - 6.5566584) / 6.0 (* negative *) +def t0JoinBX_H = 1.0 def leakJoinBX_H = 0.097396333 def badJoinBX_H = (6.0 + 0.108521 - 5.9101173) / 6.0 +def t0JoinBX_R1 = 0.5 def leakJoinBX_R1 = 0.5971527 def badJoinBX_R1 = (6.0 + 0.61825693 - 5.3644739) / 6.0 +def t0JoinBX_R2 = 0.5 def leakJoinBX_R2 = 0.78391903 def badJoinBX_R2 = (6.0 + 1.0986007 - 6.1368419) / 6.0 +def t0JoinBX_R3 = 0.5 def leakJoinBX_R3 = 0.79910888 def badJoinBX_R3 = (6.0 + 1.5157708 - 7.0041442) / 6.0 (* negative *) +def t0JoinBY_B = 1.0 def leakJoinBY_B = 0.48863012 def badJoinBY_B = (6.0 + 0.79579046 - 6.0939745) / 6.0 (* 15.9 *) +def t0JoinBY_Y = 1.0 def leakJoinBY_Y = 0.27052827 def badJoinBY_Y = (6.0 + 0.38219716 - 6.6560031) / 6.0 (* negative 4.9 *) +def t0JoinBY_H = 1.0 def leakJoinBY_H = 0.055916679 def badJoinBY_H = (6.0 + 0.038363162 - 7.3458785) / 6.0 (* negative 2.3 *) +def t0JoinBY_R1 = 0.5 def leakJoinBY_R1 = 0.75069688 def badJoinBY_R1 = (6.0 + 0.80157264 - 5.3179004) / 6.0 (* 2.5 *) +def t0JoinBY_R2 = 0.5 def leakJoinBY_R2 = 0.88612285 def badJoinBY_R2 = (6.0 + 1.3410298 - 6.3513315) / 6.0 (* 6.4 *) +def t0JoinBY_R3 = 0.5 def leakJoinBY_R3 = 1.1365071 def badJoinBY_R3 = (6.0 + 2.0343225 - 5.3272129) / 6.0 (* 12.9 *) +def t0JoinXY_X = 1.0 def leakJoinXY_X = 1.6945078 def badJoinXY_X = (6.0 + 1.9423518 - 7.9032565) / 6.0 (* 12.5 *) +def t0JoinXY_Y = 1.0 def leakJoinXY_Y = 0.93308561 def badJoinXY_Y = (6.0 + 0.97638337 - 7.7032293) / 6.0 (* 3.5 *) +def t0JoinXY_H = 1.0 def leakJoinXY_H = 0.0 def badJoinXY_H = (6.0 + 0.0 - 5.4342962) / 6.0 (* 3.5 *) +def t0JoinXY_R1 = 0.5 def leakJoinXY_R1 = 0.3997306 def badJoinXY_R1 = (6.0 + 0.4573801 - 4.5074007) / 6.0 (* 2.1 *) +def t0JoinXY_R2 = 0.5 def leakJoinXY_R2 = 0.50340259 def badJoinXY_R2 = (6.0 + 0.85738814 - 4.7758843) / 6.0 (* 5.0 *) +def t0JoinXY_R3 = 0.5 def leakJoinXY_R3 = 0.73484885 def badJoinXY_R3 = (6.0 + 1.4824177 - 4.896728) / 6.0 (* 12.6 *) +def t0Fork2X_R = 1.0 def leakFork2X_R = 0.470958 def badFork2X_R = (6.0 + 0.9155104 - 6.2511144) / 6.0 (* negative 14.9 *) +def t0Fork2X_H1 = 1.0 def leakFork2X_H1 = 0.24226597 def badFork2X_H1 = (6.0 + 0.42083542 - 5.9889533) / 6.0 (* 8.2 *) +def t0Fork2X_H2 = 1.0 def leakFork2X_H2 = 0.12073307 def badFork2X_H2 = (6.0 + 0.1512095 - 6.1596074) / 6.0 (* 6.1 *) +def t0Fork2B_R = 1.0 def leakFork2B_R = 0.77312019 def badFork2B_R = (6.0 + 0.850197 - 4.8604263) / 6.0 (* 4.4 *) +def t0Fork2B_H1 = 1.0 def leakFork2B_H1 = 0.94868054 def badFork2B_H1 = (6.0 + 1.1182619 - 5.3043056) / 6.0 (* 11.1 *) +def t0Fork2B_H2 = 1.0 def leakFork2B_H2 = 0.88826117 def badFork2B_H2 = (6.0 + 0.90927962 - 5.5840612) / 6.0 (* 4.4 *) +def t0Fork2Y_R = 0.0833 def leakFork2Y_R = 0.18573219 def badFork2Y_R = (6.0 + 0.40505528 - 5.8409924) / 6.0 (* 19.2 *) +def t0Fork2Y_H1 = 1.0 def leakFork2Y_H1 = 0.12224817 def badFork2Y_H1 = (6.0 + 0.18764882 - 5.0428647) / 6.0 (* 24.7 *) +def t0Fork2Y_H2 = 1.0 def leakFork2Y_H2 = 0.092309817 def badFork2Y_H2 = (6.0 + 0.0798445 - 5.2368405) / 6.0 (* 16.9 *) + +def t0BX2X = 0.0833 def leakBX2X_F = 0.087 (*def leakBX2X_J = 0.0*) (* leakJoinBX_X*5.0 *) def badBX2X = 0.0 (*0.087 / 50.0*) +def t0BY2Y = 0.0833 def leakBY2Y_F = 0.96 (*def leakBY2Y_J = 0.0*) (* leakJoinBY_Y*5.0 *) def badBY2Y = 0.0 (*0.96 / 50.0 *) +def t0XY2B = 0.0833 def leakXY2B_F = 1.195 def leakXY2B_J = 0.0 def badXY2B = (30.0 + 3.5 - 30.35) / 30.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tc,c) = +def Translator(r,tq) = +def InputR(a,tb) = +def OutputR(c,tr) = +def CatalystR(b,tr) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Rep_Fork(tc,c,fl) = {tc^*}[c] +def Rep_Join(fl,r,tq) = [r]{tq^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join_AB1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join_AB2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join_AB3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork_C(i,tc,c,tr,r,tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i,tc,c,tb,b,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork_BCD5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def Join(NA,TA,NB,TB,NH,TH,NG,NV,Leak,ta,a,tb,b,tr,r,tq,kJ1,kJ1r,kJ2,kJ2r,kJ3,kJ3r) = +( 1.0 * (NG-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| Leak * Translator(r,tq) +| NA * Input(ta,a) @ TA +| NB * Catalyst(tb,b) @ TB +| NH * Helper(tr,r) @ TH +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) +(* Slow leak +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + ->{kl} [ta^]:[a]:[tb^ b]:[tr^ r]{tq^*} +*) +(* +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + <->{kl,kJ1} {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + +| rxn {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + <->{kJ3r,kJ3} {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ1} [ta^ a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ2r} {ta^*}[a tb^]:[b tr^]:[r tq^] + +*) +(* Unique Context *) +| rxn + Join_AB(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join_AB1(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join_AB2(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join_AB3(ta,a,tb,b,tr,r,tq) +) +def JoinRev(NA,TA,NB,TB,NH,TH,NG,NV,Leak,ta,a,tb,b,tr,r,tq,kJ1,kJ1r,kJ2,kJ2r,kJ3,kJ3r) = +( 1.0 * (NG-Leak) * Join_AB3(ta,a,tb,b,tr,r,tq) +| Leak * Input(ta,a) +| NA * Translator(r,tq) @ TA +| NB * CatalystR(b,tr) @ TB +| NH * InputR(a,tb) @ TH +| NV * Helper(tr,r) +| NV * Catalyst(tb,b) +(* Slow leak +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + ->{kl} [ta^]:[a]:[tb^ b]:[tr^ r]{tq^*} +*) +(* +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + <->{kl,kJ1} {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + +| rxn {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + <->{kJ3r,kJ3} {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ1} [ta^ a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ2r} {ta^*}[a tb^]:[b tr^]:[r tq^] + +*) +(* Unique Context *) +| rxn + Join_AB(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join_AB1(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join_AB2(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join_AB3(ta,a,tb,b,tr,r,tq) +) +def Fork3(N,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,i,td,d,tc,c,tb,b,tr,r,tq,kF1,kF1r,kF2,kF2r,kF3,kF3r,kF4,kF5) = +( 1.0 * (NG-Leak) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) +(* Alternative to reporter leak +| Leak * Output(tc,c) +| Leak * Output(td,d) +*) +| N * Translator(r,tq) @ T +| NH1 * Output1R(b,tr) @ T1 +| NH2 * Output2R(c,tb) @ T2 +| NH3 * Output3R(d,tc) +| NH4 * End(i,td) +| 0 * Helper(tr,r) +(* Unique Context *) +| rxn + Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF1,kF1r} + Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF2,kF2r} + Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF3,kF3r} + Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF4,kF2r} + Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) ->{kF5} Fork_BCD5(i,td,d,tc,c,tb,b,tr,r,tq) + +) +def RepJoin(N,T,NR,r,t,f,km) = +( N * Translator(r,t) @ T +| NR * Rep_Join(f,r,t) +| 0 * Signal_Join(f,r) +| rxn Translator(r,t) + Rep_Join(f,r,t) ->{km} Signal_Join(f,r) + [r t^] +(*| rxn [r]:[t^] ->{km} Signal_Join(f,r) + [r t^]*) +) +def RepFork(N,T,NR,t,c,f,km) = +( N * Output(t,c) @ T +| NR * Rep_Fork(t,c,f) +| 0 * Signal_Fork(c,f) +| rxn Output(t,c) + Rep_Fork(t,c,f) ->{km} Signal_Fork(c,f) + [t^ c] +(*| rxn [t^]:[c] ->{km} Signal_Fork(c,f) + [t^ c]*) +) + +dom t = {seq = CTGATC; bind=kt; unbind=ut; colour="red"} +dom u1 = {seq = CTTCAG; bind=ku1; unbind=uu1; colour="orange"} +dom u2 = {seq = CCATAC; bind=ku2; unbind=uu2; colour="blue"} +dom u3 = {seq = ATACCC; bind=ku3; unbind=uu3; colour="green"} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} +dom FAM = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom TYE665 = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom ROX = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom ALEX488 = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom TAMRA = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom ALEX647 = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} + +(* Components *) +//def Signal_JoinXY() = Signal_Join(TAMRA,rxy) +//def Signal_JoinBX() = Signal_Join(TAMRA,rbx) +//def Signal_JoinBY() = Signal_Join(TAMRA,rby) +//def Signal_Fork2B() = Signal_Fork(pb,ROX) +//def Signal_Fork2X() = Signal_Fork(px,FAM) +//def Signal_Fork2Y() = Signal_Fork(py,TYE665) +//def Signal_B() = Signal_Fork(b,ALEX488) +//def Signal_X() = Signal_Fork(x,ROX) +def RepJoinBX(N,T,NR) = RepJoin(N,T,NR,rbx,u1,TAMRA,mRepJoinBX) +def RepJoinBY(N,T,NR) = RepJoin(N,T,NR,rby,u1,TAMRA,mRepJoinBY) +def RepJoinXY(N,T,NR) = RepJoin(N,T,NR,rxy,u1,TAMRA,mRepJoinXY) +def RepB(N,T,NR) = RepFork(N,T,NR,t,b,ALEX488,mRepB) +def RepX(N,T,NR) = RepFork(N,T,NR,t,x,ROX,mRepX) +def RepFork2B(N,T,NR) = RepFork(N,T,NR,u3,pb,ROX,mRepFork2B) +def RepFork2X(N,T,NR) = RepFork(N,T,NR,u3,px,FAM,mRepFork2X) +def RepFork2Y(N,T,NR) = RepFork(N,T,NR,u3,py,TYE665,mRepFork2Y) +def JoinBX(NB,TB,NX,TX,NH,TH,NG,Leak) = Join(NB,TB,NX,TX,NH,TH,NG,0,Leak,t,b,t,x,t,rbx,u1,kJBX1,kJBX1r,kJBX2,kJBX2r,kJBX3,kJBX3r) +def JoinBY(NB,TB,NY,TY,NH,TH,NG,Leak) = Join(NB,TB,NY,TY,NH,TH,NG,0,Leak,t,b,t,y,t,rby,u1,kJBY1,kJBY1r,kJBY2,kJBY2r,kJBY3,kJBY3r) +def JoinXY(NX,TX,NY,TY,NH,TH,NG,Leak) = Join(NX,TX,NY,TY,NH,TH,NG,0,Leak,t,x,t,y,t,rxy,u1,kJXY1,kJXY1r,kJXY2,kJXY2r,kJXY3,kJXY3r) +def JoinBXRev(NB,TB,NX,TX,NH,TH,NG,Leak) = JoinRev(NB,TB,NX,TX,NH,TH,NG,0,Leak,t,b,t,x,t,rbx,u1,kJBX1,kJBX1r,kJBX2,kJBX2r,kJBX3,kJBX3r) +def JoinBYRev(NB,TB,NY,TY,NH,TH,NG,Leak) = JoinRev(NB,TB,NY,TY,NH,TH,NG,0,Leak,t,b,t,y,t,rby,u1,kJBX1,kJBX1r,kJBX2,kJBX2r,kJBX3,kJBX3r) +def JoinXYRev(NX,TX,NY,TY,NH,TH,NG,Leak) = JoinRev(NX,TX,NY,TY,NH,TH,NG,0,Leak,t,x,t,y,t,rxy,u1,kJBX1,kJBX1r,kJBX2,kJBX2r,kJBX3,kJBX3r) +def Fork2B(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF2B1,kF2B1r,kF2B2,kF2B2r,kF2B3,kF2B3r,kF2B4,kF2B5) | RepFork2B(Leak (*0*),0,NR) ) +def ForkXY2B(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF2B1,kF2B1r,kF2B2,kF2B2r,kF2B3,kF2B3r,kF2B4,kF2B5) | RepB(Leak (*0*),0,NR) ) +def Fork2X(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF2X1,kF2X1r,kF2X2,kF2X2r,kF2X3,kF2X3r,kF2X4,kF2X5) | RepFork2X(Leak (*0*),0,NR) ) +def Fork2Y(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF2Y1,kF2Y1r,kF2Y2,kF2Y2r,kF2Y3,kF2Y3r,kF2Y4,kF2Y5) | RepFork2Y(Leak (*0*),0,NR) ) + +(* Circuits that have been measured *) +def Rep_rxyu1(N) = RepJoinXY(N*Xr,t0Rep_rxyu1,4*Xr) +def Rep_rbxu1(N) = RepJoinBX(N*Xr,t0Rep_rbxu1,4*Xr) +def Rep_rbyu1(N) = RepJoinBY(N*Xr,t0Rep_rbyu1,4*Xr) +def Rep_u3pb(N) = RepFork2B(N*Xr,t0Rep_u3pb,4*Xr) +def Rep_u3px(N) = RepFork2X(N*Xr,t0Rep_u3px,4*Xr) +def Rep_u3py(N) = RepFork2Y(N*Xr,t0Rep_u3py,4*Xr) +def Rep_tb(N) = RepB(N*Xr,t0Rep_tb,3*Xr) +def Rep_tx(N) = RepX(N*Xr,t0Rep_tx,3*Xr) +def JoinBX_AddB(N) = ( JoinBX(N*Xi*(1-badJoinBX_B),t0JoinBX_B,NMi,0,NMi,0,NGi,leakJoinBX_B) | RepJoinBX(0,0,NRi) ) +def JoinBX_AddX(N) = ( JoinBX(NMi,0,N*Xi*(1-badJoinBX_X),t0JoinBX_X,NMi,0,NGi,leakJoinBX_X) | RepJoinBX(0,0,NRi) ) +def JoinBX_AddH(N) = ( JoinBX(NMi,0,NMi,0,N*Xi*(1-badJoinBX_H),t0JoinBX_H,NGi,leakJoinBX_H) | RepJoinBX(0,0,NRi) ) +def JoinBX_AddRev1(N) = ( JoinBXRev(NMi,0,NMi,0,N*Xi*(1-badJoinBX_R1),t0JoinBX_R1,NGi,leakJoinBX_R1) | RepB(0,0,NRi) ) +def JoinBX_AddRev2(N) = ( JoinBXRev(NMi,0,N*Xi*(1-badJoinBX_R2),t0JoinBX_R2,NMi,0,NGi,leakJoinBX_R2) | RepB(0,0,NRi) ) +def JoinBX_AddRev3(N) = ( JoinBXRev(N*Xi*(1-badJoinBX_R3),t0JoinBX_R3,NMi,0,NMi,0,NGi,leakJoinBX_R3) | RepB(0,0,NRi) ) +def JoinBY_AddB(N) = ( JoinBY(N*Xi*(1-badJoinBY_B),t0JoinBY_B,NMi,0,NMi,0,NGi,leakJoinBY_B) | RepJoinBY(0,0,NRi) ) +def JoinBY_AddY(N) = ( JoinBY(NMi,0,N*Xi*(1-badJoinBY_Y),t0JoinBY_Y,NMi,0,NGi,leakJoinBY_Y) | RepJoinBY(0,0,NRi) ) +def JoinBY_AddH(N) = ( JoinBY(NMi,0,NMi,0,N*Xi*(1-badJoinBY_H),t0JoinBY_H,NGi,leakJoinBY_H) | RepJoinBY(0,0,NRi) ) +def JoinBY_AddRev1(N) = ( JoinBYRev(NMi,0,NMi,0,N*Xi*(1-badJoinBY_R1),t0JoinBY_R1,NGi,leakJoinBY_R1) | RepB(0,0,NRi) ) +def JoinBY_AddRev2(N) = ( JoinBYRev(NMi,0,N*Xi*(1-badJoinBY_R2),t0JoinBY_R2,NMi,0,NGi,leakJoinBY_R2) | RepB(0,0,NRi) ) +def JoinBY_AddRev3(N) = ( JoinBYRev(N*Xi*(1-badJoinBY_R3),t0JoinBY_R3,NMi,0,NMi,0,NGi,leakJoinBY_R3) | RepB(0,0,NRi) ) +def JoinXY_AddX(N) = ( JoinXY(N*Xi*(1-badJoinXY_X),t0JoinXY_X,NMi,0,NMi,0,NGi,leakJoinXY_X) | RepJoinXY(0,0,NRi) ) +def JoinXY_AddY(N) = ( JoinXY(NMi,0,N*Xi*(1-badJoinXY_Y),t0JoinXY_Y,NMi,0,NGi,leakJoinXY_Y) | RepJoinXY(0,0,NRi) ) +def JoinXY_AddH(N) = ( JoinXY(NMi,0,NMi,0,N*Xi*(1-badJoinXY_H),t0JoinXY_H,NGi,leakJoinXY_H) | RepJoinXY(0,0,NRi) ) +def JoinXY_AddRev1(N) = ( JoinXYRev(NMi,0,NMi,0,N*Xi*(1-badJoinXY_R1),t0JoinXY_R1,NGi,leakJoinXY_R1) | RepX(0,0,NRi) ) +def JoinXY_AddRev2(N) = ( JoinXYRev(NMi,0,N*Xi*(1-badJoinXY_R2),t0JoinXY_R2,NMi,0,NGi,leakJoinXY_R2) | RepX(0,0,NRi) ) +def JoinXY_AddRev3(N) = ( JoinXYRev(N*Xi*(1-badJoinXY_R3),t0JoinXY_R3,NMi,0,NMi,0,NGi,leakJoinXY_R3) | RepX(0,0,NRi) ) +def Fork2X_AddR(N) = ( Fork2X(N*Xi*(1-badFork2X_R ),t0Fork2X_R,NMi,0,NMi,0,NMi,NMi,NGi,leakFork2X_R,NRi) ) +def Fork2X_AddH1(N) = ( Fork2X(NMi,0,N*Xi*(1-badFork2X_H1),t0Fork2X_H1,NMi,0,NMi,NMi,NGi,leakFork2X_H1,NRi) ) +def Fork2X_AddH2(N) = ( Fork2X(NMi,0,NMi,0,N*Xi*(1-badFork2X_H2),t0Fork2X_H2,NMi,NMi,NGi,leakFork2X_H2,NRi) ) +def Fork2B_AddR(N) = ( Fork2B(N*Xi*(1-badFork2B_R ),t0Fork2B_R,NMi,0,NMi,0,NMi,NMi,NGi,leakFork2B_R,NRi) ) +def Fork2B_AddH1(N) = ( Fork2B(NMi,0,N*Xi*(1-badFork2B_H1),t0Fork2B_H1,NMi,0,NMi,NMi,NGi,leakFork2B_H1,NRi) ) +def Fork2B_AddH2(N) = ( Fork2B(NMi,0,NMi,0,N*Xi*(1-badFork2B_H2),t0Fork2B_H2,NMi,NMi,NGi,leakFork2B_H2,NRi) ) +def Fork2Y_AddR(N) = ( Fork2Y(N*Xi*(1-badFork2Y_R ),t0Fork2Y_R,NMi,0,NMi,0,NMi,NMi,NGi,leakFork2Y_R,NRi) ) +def Fork2Y_AddH1(N) = ( Fork2Y(NMi,0,N*Xi*(1-badFork2Y_H1),t0Fork2Y_H1,NMi,0,NMi,NMi,NGi,leakFork2Y_H1,NRi) ) +def Fork2Y_AddH2(N) = ( Fork2Y(NMi,0,NMi,0,N*Xi*(1-badFork2Y_H2),t0Fork2Y_H2,NMi,NMi,NGi,leakFork2Y_H2,NRi) ) +def BX2X(N,X,NH,NG,NR) = ( JoinBX(X,0,X*N*(1-badBX2X),t0BX2X,NH,0,NG,leakBX2X_J) | Fork2X(0,0,NH,0,NH,0,NH,NH,NG,leakBX2X_F,NR) ) +def BY2Y(N,X,NH,NG,NR) = ( JoinBY(X,0,X*N*(1-badBY2Y),t0BY2Y,NH,0,NG,leakBY2Y_J) | Fork2Y(0,0,NH,0,NH,0,NH,NH,NG,leakBY2Y_F,NR) ) +def XY2B(Nx,Ny,X,NH,NG,NR) = ( JoinXY(X*Nx*(1-badXY2B),t0XY2B,X*Ny*(1-badXY2B),t0XY2B,NH,0,NG,leakXY2B_J) | ForkXY2B(0,0,NH,0,NH,0,NH,NH,NG,leakXY2B_F,NR) ) +def XY2B_AM(Nx,Ny,X,NH,NG,NR) = ( JoinXY(X*Nx*(1-badXY2B),t0XY2B,X*Ny*(1-badXY2B),t0XY2B,NH,0,NG,leakXY2B_J) | Fork2B(0,0,NH,0,NH,0,NH,NH,NG,leakXY2B_F,NR) ) +def AM(Nx,Ny) = ( XY2B_AM(Nx,Ny,Xm,NHm,NGm,NRm) | BX2X(0,0,NHm,NGm,NRm) | BY2Y(0,0,NHm*1.2,NGm*1.2,NRm) (*| NHm * 0.8 * *) +| Nx*Xm* | Ny*Xm* ) + +( runRep_rbxu1 * Rep_rbxu1(N) +| runRep_rbyu1 * Rep_rbyu1(N) +| runRep_rxyu1 * Rep_rxyu1(N) +| runRep_u3pb * Rep_u3pb(N) +| runRep_u3px * Rep_u3px(N) +| runRep_u3py * Rep_u3py(N) +| runRep_tb * Rep_tb(N) +| runRep_tx * Rep_tx(N) +| runJoinBX_AddB * JoinBX_AddB(N) +| runJoinBX_AddX * JoinBX_AddX(N) +| runJoinBX_AddH * JoinBX_AddH(N) +| runJoinBY_AddB * JoinBY_AddB(N) +| runJoinBY_AddY * JoinBY_AddY(N) +| runJoinBY_AddH * JoinBY_AddH(N) +| runJoinXY_AddX * JoinXY_AddX(N) +| runJoinXY_AddY * JoinXY_AddY(N) +| runJoinXY_AddH * JoinXY_AddH(N) +| runFork2X_AddR * Fork2X_AddR(N) +| runFork2X_AddH1 * Fork2X_AddH1(N) +| runFork2X_AddH2 * Fork2X_AddH2(N) +| runFork2Y_AddR * Fork2Y_AddR(N) +| runFork2Y_AddH1 * Fork2Y_AddH1(N) +| runFork2Y_AddH2 * Fork2Y_AddH2(N) +| runFork2B_AddR * Fork2B_AddR(N) +| runFork2B_AddH1 * Fork2B_AddH1(N) +| runFork2B_AddH2 * Fork2B_AddH2(N) +| runJoinBX_AddRev1 * JoinBX_AddRev1(N) +| runJoinBX_AddRev2 * JoinBX_AddRev2(N) +| runJoinBX_AddRev3 * JoinBX_AddRev3(N) +| runJoinBY_AddRev1 * JoinBY_AddRev1(N) +| runJoinBY_AddRev2 * JoinBY_AddRev2(N) +| runJoinBY_AddRev3 * JoinBY_AddRev3(N) +| runJoinXY_AddRev1 * JoinXY_AddRev1(N) +| runJoinXY_AddRev2 * JoinXY_AddRev2(N) +| runJoinXY_AddRev3 * JoinXY_AddRev3(N) +| runBX2X * BX2X(N,X,NH,NG,NR) +| runBY2Y * BY2Y(N,X,NH,NG,NR) +| runXY2B * XY2B(Nx,Ny,X,NH,NG,NR) +| runAM * AM(Nx,Ny) +| 0 * +| 0 * +| 0 * +| 0 * +| 0 * +| 0 * +| 0 * +| 0 * +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/cargo_sorting_DNA_robot.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/cargo_sorting_DNA_robot.txt new file mode 100644 index 0000000..42c0dab --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/cargo_sorting_DNA_robot.txt @@ -0,0 +1,172 @@ +directive rules{ + // Classic DSD semantics apart from bind + unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + + adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. + adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + + displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + + cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + + coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + + binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). + binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + + displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). + displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + + displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). + displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + + covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). + covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + + coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). + coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + + unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). + boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + + find(D,Type,Rate):- rate(D,Type,Rate). + find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + + //order of find and binds clauses could be reversed. + slow(P1, P2, Rate, Q) :- find(L, "bind", Rate), binds(P1,P2,Q,_,L). //, productive(Q,_,_!i,L). + fast(P, Rate, Q) :- displaces(P,Q,_,L), find(L, "displace", Rate). + fast(P, Rate, Q) :- displacesL(P,Q,_,L), find(L, "displace", Rate). + fast(P, Rate, Q) :- covers(P,Q,_,L), find(L, "cover", Rate). + fast(P, Rate, Q) :- coversL(P,Q,_,L), find(L, "cover", Rate). + fast(P, Rate, Q) :- unbinds(P,Q,_,L), find(L, "unbind", Rate). + + productive(P,Q,E!j,L) :- displaces(P,Q,E!j,L). + productive(P,Q,E!j,L) :- displacesL(P,Q,E!j,L). + productive(P,Q,E!j,L) :- covers(P,Q,E!j,L). + productive(P,Q,E!j,L) :- coversL(P,Q,E!j,L). + + mergestep(P,Q,V) :- fast(P,_,Q), not member(Q,V). + merge(P,P,V) :- not fast(P,_,_). + merge(P,R,V) :- mergestep(P,Q,V), merge(Q,R,[Q#V]). + + infinite([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). + infinite([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + + detailed([P1; P2], Rate, Q):- slow(P1, P2, Rate, Q). + detailed([P], Rate, Q) :- slow(P, Rate, Q). + detailed([P], Rate, Q) :- fast(P, Rate, Q). + + default([_],"unbind",0.1). + default(_,"bind",0.0003). + default(_,"displace",1.0). + default(_,"cover",1.0). + + //The following specifies infinite compilation mode + reaction([P1; P2], Rate, R) :- infinite([P1; P2], Rate, R). + reaction([P], Rate, R) :- infinite([P], Rate, R). + +// Localised bind rule + bind(P1,P2,Q,D!i) :- + proximal(P1, P2), + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + + (*** proximal(P1, P2): P1 and P2 are close enough if either one of them is not tethered, + or if they are tethered in the same region. ***) + proximal(P1, P2) :- + tethers(P1, Ts1), + tethers(P2, Ts2), + shared(Ts1, Ts2), + pruning(P1, P2). + + shared([], _). + shared(_, []). + shared(Ts1, Ts2) :- + not (Ts1 = []), not (Ts2 = []), + hasIntersection(Ts1, Ts2). + + hasIntersection(Ts1, Ts2) :- + concat(Ts1, T1), + concat(Ts2, T2), + not intersection(T1, T2, []). + + (* CRN pruning: bind P1 and P2 only if they have a most one tether each. + Tethers are also unique, so discard P1 and P2 if they both share a tether *) + pruning(P1, P2) :- + tetheredDomains(P1, D1), length(D1, N1), N1 <= 1, + tetheredDomains(P2, D2), length(D2, N2), N2 <= 1, + intersection(D1, D2, []). + + + (*** tetheredDomains(P, TDs) : find all tethered domains in P ***) + filterTetheredDomains([], []). + filterTetheredDomains([D#Ds], [D#Ts]) :- + tethered(D, _), + filterTetheredDomains(Ds, Ts). + + filterTetheredDomains([D#Ds], Ts) :- + not tethered(D, _), + filterTetheredDomains(Ds, Ts). + + tetheredDomains(P, TDs) :- + toDomains(P, Ds), // in-built predicate + filterTetheredDomains(Ds, TDs). + + (*** tethers(P, L): find all the tethers L in process P ***) + filterTethers([], []). + filterTethers([T#Ds], [Ls#Ts]) :- + tethered(T, Ls), + filterTethers(Ds, Ts). + + filterTethers([D#Ds], Ts) :- + not tethered(D, _), + filterTethers(Ds, Ts). + + tethers(P, Ts) :- + toDomains(P, Ds), // in-built predicate + filterTethers(Ds, Ts). + +tethered(start,["dropA"; "toCargo"]). +tethered(track1,["toCargo"; "xing1"]). +tethered(track2,["xing1"; "xing2"; "pkup"]). +tethered(track3,["xing2"; "dropB"]). +tethered(goal1p,["dropA"]). +tethered(goal2p,["dropB"]). +tethered(cargo1p*,["pkup"; "xing1"]). +tethered(cargo2p*,["pkup"; "xing2"]). +} +( // robot +1 [ +| +| ] +// goals +| 1 [ +| ] +| 1 [ +| ] +// cargos +| 1 [ +| +| ] +| 1 [ +| +| ] +//tracks +| 1 [ ] +| 1 [ ] +| 1 [ ] ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/catalytic.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/catalytic.txt new file mode 100644 index 0000000..5779ba4 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/catalytic.txt @@ -0,0 +1,99 @@ +directive rules { +// Classic DSD rules +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +//order of find and binds clauses could be reversed. +slow(P1, P2, Rate, Q) :- find(L, "bind", Rate), binds(P1,P2,Q,_,L). //, productive(Q,_,_!i,L). +fast(P, Rate, Q) :- displaces(P,Q,_,L), find(L, "displace", Rate). +fast(P, Rate, Q) :- displacesL(P,Q,_,L), find(L, "displace", Rate). +fast(P, Rate, Q) :- covers(P,Q,_,L), find(L, "cover", Rate). +fast(P, Rate, Q) :- coversL(P,Q,_,L), find(L, "cover", Rate). +fast(P, Rate, Q) :- unbinds(P,Q,_,L), find(L, "unbind", Rate). + +productive(P,Q,E!j,L) :- displaces(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displacesL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- covers(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coversL(P,Q,E!j,L). + +mergestep(P,Q,V) :- fast(P,_,Q), not member(Q,V). +merge(P,P,V) :- not fast(P,_,_). +merge(P,R,V) :- mergestep(P,Q,V), merge(Q,R,[Q#V]). + +infinite([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). +infinite([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + +detailed([P1; P2], Rate, Q):- slow(P1, P2, Rate, Q). +detailed([P], Rate, Q) :- slow(P, Rate, Q). +detailed([P], Rate, Q) :- fast(P, Rate, Q). + +default([_],"unbind",0.1). +default(_,"bind",0.0003). +default(_,"displace",1.0). +default(_,"cover",1.0). + +//The following specifies infinite compilation mode +reaction([P1; P2], Rate, R) :- infinite([P1; P2], Rate, R). +reaction([P], Rate, R) :- infinite([P], Rate, R). + +rate([s3^], "bind", 0.00042). +rate([s3^], "unbind", 0.04). +rate([s5^], "bind", 0.00065). +rate([s5^], "unbind", 0.004). +} + +directive simulator deterministic +directive deterministic {stiff = true} +directive simulation {final = 7000} +( 13 [ ] +| 10 [ ] +| 10 [ | | ] +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/enzymes.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/enzymes.txt new file mode 100644 index 0000000..2cda851 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/enzymes.txt @@ -0,0 +1,127 @@ +directive rules { +// Classic DSD rules +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +//order of find and binds clauses could be reversed. +slow(P1, P2, Rate, Q) :- find(L, "bind", Rate), binds(P1,P2,Q,_,L). //, productive(Q,_,_!i,L). +fast(P, Rate, Q) :- displaces(P,Q,_,L), find(L, "displace", Rate). +fast(P, Rate, Q) :- displacesL(P,Q,_,L), find(L, "displace", Rate). +fast(P, Rate, Q) :- covers(P,Q,_,L), find(L, "cover", Rate). +fast(P, Rate, Q) :- coversL(P,Q,_,L), find(L, "cover", Rate). +fast(P, Rate, Q) :- unbinds(P,Q,_,L), find(L, "unbind", Rate). + +productive(P,Q,E!j,L) :- displaces(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displacesL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- covers(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coversL(P,Q,E!j,L). + +mergestep(P,Q,V) :- fast(P,_,Q), not member(Q,V). +merge(P,P,V) :- not fast(P,_,_). +merge(P,R,V) :- mergestep(P,Q,V), merge(Q,R,[Q#V]). + +infinite([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). +infinite([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + +detailed([P1; P2], Rate, Q):- slow(P1, P2, Rate, Q). +detailed([P], Rate, Q) :- slow(P, Rate, Q). +detailed([P], Rate, Q) :- fast(P, Rate, Q). + +default([_],"unbind","unbind"). +default(_,"bind","bind"). +default(_,"displace",1.0). +default(_,"cover",1.0). + +//The following specifies detailed compilation mode +reaction([P1; P2], Rate, R) :- detailed([P1; P2], Rate, R). +reaction([P], Rate, R) :- detailed([P], Rate, R). + +// Enzymatic rules +polymerase(P,Q,A!i,B!j) :- + P = C [A!i>] [B' A'!i], compl(B, B'), + Q = C [A!i B!j>] [B'!j A'!i], freshBond(B!j, P). + +polymerase(P,Q,A!i,B!j) :- + P = C [A!i>] [B'!j A'!i] [B!j], + Q = C [A!i B!j>] [B'!j A'!i] [B]. + +polymerases(P,R,A!i,[B#L]) :- + polymerase(P,Q,A!i,B!j), polymerases(Q,R,B!j,L). +polymerases(P,Q,A!i,[B]) :- + polymerase(P,Q,A!i,B!j), not polymerase(Q,_,_,_). + +exonuclease(P,R,A@p,[A#L]) :- + P = C[], unbound(A), + Q = C[nil], not protected(A). +protected( _ {"O"}). + +nickase(P,Q,[A]) :- recognition([A]), + P = C [A!i B!j] [B'!j A'!i], + Q = C [A!i> | ] +| 1 [] ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/join_infinite.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/join_infinite.txt new file mode 100644 index 0000000..85a95e6 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/join_infinite.txt @@ -0,0 +1,41 @@ +directive rules { +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +slow([P1;P2], "bind",Q) :- bind(P1,P2,Q,_). +fast([P],"displace",Q) :- displace(P,Q,_,_). +fast([P],"displace",Q) :- displaceL(P,Q,_,_). +fast([P],"unbind",Q) :- unbind(P,Q,_). + +merge(P,P,V) :- not fast([P],_,_). +merge(P,R,V) :- + fast([P],_,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1;P2],Rate,R) :- + slow([P1;P2],Rate,Q), merge(Q,R,[(P1|P2);Q]). +reaction([P],Rate,R) :- + slow([P],Rate,Q), merge(Q,R,[P;Q]). +} +directive parameters [ + bind = 0.003; displace = 1; unbind = 0.1 +] +( 10 [] +| 10 [] +| 100 [ + | | ] ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/join_kinetic_rates.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/join_kinetic_rates.txt new file mode 100644 index 0000000..38b42ff --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/join_kinetic_rates.txt @@ -0,0 +1,64 @@ +directive rules { +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +slow([P1;P2], "bind",Q) :- bind(P1,P2,Q,_). +fast([P],"displace",Q) :- displace(P,Q,_,_). +fast([P],"displace",Q) :- displaceL(P,Q,_,_). +fast([P],"unbind",Q) :- unbind(P,Q,_). + +merge(P,P,V) :- not fast([P],_,_). +merge(P,R,V) :- + fast([P],_,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1;P2],Rate,R) :- + slow([P1;P2],Rate,Q), merge(Q,R,[(P1|P2);Q]). +reaction([P],Rate,R) :- + slow([P],Rate,Q), merge(Q,R,[P;Q]). + +bindR(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [] [E!j], P2 = C2 [D], compl(D, D'), + Q = C1 [E'!j D'!i>] [E!j] | C2 [D!i], freshBond(D!i, P1|P2). + +bindM(P1,P2,Q,D!i) :- + P1 = C1 [F'!k D' E'!j] [E!j] [F!k], P2 = C2 [D], compl(D, D'), + Q = C1 [F'!k D'!i E'!j] [E!j] [F!k] | C2 [D!i], + freshBond(D!i, P1|P2). + +slow([P1;P2],Rate,Q) :- find(D,"bindR",Rate),bindR(P1,P2,Q,_). +slow([P1;P2],Rate,Q) :- find(D,"bindL",Rate),bindL(P1,P2,Q,_). +slow([P1;P2],Rate,Q) :- find(D,"bindM",Rate),bindM(P1,P2,Q,_). + +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + + +default(_,"bindR", 0.003). rate(to^,"bindR","ktoR"). +default(_,"bindL", 0.003). rate(tb^,"bindL","ktbL"). +default(_,"bindM", 0.006). rate(tx^,"bindM","ktxM"). + +} +directive parameters [ + bind = 0.003; displace = 1; unbind = 0.1; + ktoR = 0.003; ktxM = 0.006; ktbL = 0.003; +] +( 10 [] +| 10 [] +| 100 [ + | | ] ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/join_simple.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/join_simple.txt new file mode 100644 index 0000000..b6b89f9 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/join_simple.txt @@ -0,0 +1,32 @@ +directive rules { +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +reaction([P1;P2], "bind",Q) :- bind(P1,P2,Q,_). +reaction([P],"displace",Q) :- displace(P,Q,_,_). +reaction([P],"displace",Q) :- displaceL(P,Q,_,_). +reaction([P],"unbind",Q) :- unbind(P,Q,_). +} +directive parameters [ + bind = 0.003; displace = 1; unbind = 0.1 +] +( 10 [] +| 10 [] +| 100 [ + | | ] ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/localized_hcr.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/localized_hcr.txt new file mode 100644 index 0000000..da026d4 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/localized_hcr.txt @@ -0,0 +1,169 @@ +directive task { task = parse } +directive parameters [ bind = 0.003; displace = 1; unbind = 0.1 ] +directive rules { + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D@X], compl(D, D'), P2 = C2 [D'@Y], + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2), + not hidden(D@X, P1), + not hidden(D'@Y, P2). + +bind(P,Q,D!i) :- + P = C[D @ X][D' @ Y], compl(D, D'), + Q = C [D!i][D'!i], freshBond(D!i, P), + not hidden(D @ X, P), + not hidden(D' @ Y, P). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!k], junction(E!j, E'!k, P), + Q = C [E!j D!i] [D] [D'!i E'!k]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!k D'!i], junction(E!j, E'!k, P), + Q = C [D] [D!i E!j] [E'!k D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +binds(P,R,D!i,[D#L]) :- bind(P,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P,Q,D!i,[D]) :- bind(P,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +(* auxiliary functions *) +hidden(D@X, P) :- + unbound(D), + P = C [A@End D@X B@Start], + path(B@Start, A@End, P, "right", [], Path). + +hidden(D@X, P) :- + unbound(D), + P = C [B@Start D@X A@End], + path(B@Start, _@End, P, "left", [], Path). + +hidden(D!i, D'!i, P) :- + P = C [D!i@End A@Start], + path(A@Start, _@End, P, "right", [], Path), + not (last(Path, D'!i)). + +hidden(D!i, D'!i, P) :- + P = C [A@Start D!i@End], + path(A@Start, _@End, P, "left", [], Path), + not (last(Path, D'!i)). + +(* path predicate: find a @Path from @Start to @End *) +path(_@End, _@End, _, _, Visited, Path) :- + reverse(Visited, Path). + +path(X@Start, _@End, P, "left", Visited, Path) :- + not (Start = End), + P = C[Y@Start' X@Start], + not member(Y@Start', Visited), + path(Y@Start', _@End, P, "left", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "right", Visited, Path) :- + not (Start = End), + P = C[X@Start Y@Start'], + not member(Y@ Start', Visited), + path(Y@Start', _@End, P, "right", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "left", Visited, Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "right", Visited, Path). + +path(D!i@Start, _@End, P, _, Visited, Path) :- + not (Start = End), + P = C [D!i@Start] [D'!i@Start'], + not member(D'!i@Start', Visited), + path(D'!i@Start', _@End, P, "any", [D!i@Start # Visited], Path). + +junction(A, B, P) :- junctionR(A, B, P, []). +junction(A, B, P) :- junctionL(A, B, P, []). +junctionR(_!j,_!j,_,_). +junctionR(E!j,F!k,Q,V):- + Q = C [F!k] [G!l@X E'!j@Y] [E!j], + not member(X, V), + not member(Y, V), + junctionR(G!l,F!k,Q,[X;Y#V]). + +junctionL(_!j,_!j,_, _). +junctionL(E!j,F!k,Q, V):- + Q = C [F!k] [E'!j@X G!l@Y] [E!j], + not member(X, V), + not member(Y, V), + junctionL(G!l,F!k,Q,[X;Y#V]). + + +(* infinite semantics *) +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +slow(P1, P2, Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), productive(Q,_,D!i,L). +slow(P1, P2, Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), not unbind(Q, _, D!i, _). + +fast(P, Q) :- displaces(P,Q,_,L).//, find(L, "displace", Rate). +fast(P, Q) :- displacesL(P,Q,_,L).//, find(L, "displace", Rate). +fast(P, Q) :- covers(P,Q,_,L).//, find(L, "cover", Rate). +fast(P, Q) :- coversL(P,Q,_,L).//, find(L, "cover", Rate). +fast(P, Q) :- unbinds(P,Q,_,L).//, find(L, "unbind", Rate). +fast(P, Q) :- binds(P,Q, _, L). + +productive(P,Q,E!j,L) :- displace(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displaceL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- cover(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coverL(P,Q,E!j,L). + +merge(P,P,V) :- not fast(P,_). +merge(P,R,V) :- fast(P,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). + +default([_],"unbind",0.1). +default(_,"bind","bind"). +default(_,"displace",1.0). +default(_,"cover",1.0). + +} + +(10 [] +|1 [ + | + | + ] +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/oligator.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/oligator.txt new file mode 100644 index 0000000..f6f687f --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/oligator.txt @@ -0,0 +1,161 @@ +directive rules { +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +//order of find and binds clauses could be reversed. +slow(P1, P2, Rate, Q) :- find(L, "bind", Rate), binds(P1,P2,Q,_,L). //, productive(Q,_,_!i,L). +fast(P, Rate, Q) :- displaces(P,Q,_,L), find(L, "displace", Rate). +fast(P, Rate, Q) :- displacesL(P,Q,_,L), find(L, "displace", Rate). +fast(P, Rate, Q) :- covers(P,Q,_,L), find(L, "cover", Rate). +fast(P, Rate, Q) :- coversL(P,Q,_,L), find(L, "cover", Rate). +fast(P, Rate, Q) :- unbinds(P,Q,_,L), find(L, "unbind", Rate). + +productive(P,Q,E!j,L) :- displaces(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displacesL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- covers(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coversL(P,Q,E!j,L). + +mergestep(P,Q,V) :- fast(P,_,Q), not member(Q,V). +merge(P,P,V) :- not fast(P,_,_). +merge(P,R,V) :- mergestep(P,Q,V), merge(Q,R,[Q#V]). + +infinite([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). +infinite([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + +detailed([P1; P2], Rate, Q):- slow(P1, P2, Rate, Q). +detailed([P], Rate, Q) :- slow(P, Rate, Q). +detailed([P], Rate, Q) :- fast(P, Rate, Q). + +default([_],"unbind",0.1). +//default(_,"bind",0.0003). +default(_,"displace",1.0). +default(_,"cover",1.0). + +polymerase(P,Q,A!i,B!j) :- + P = C [A!i>] [B' A'!i], compl(B, B'), + Q = C [A!i B!j>] [B'!j A'!i], freshBond(B!j, P). + +polymerase(P,Q,A!i,B!j) :- //strand displacing polymerase + P = C [A!i>] [B'!j A'!i] [B!j], + Q = C [A!i B!j>] [B'!j A'!i] [B]. + +polymerases(P,R,A!i,[B#L]) :- polymerase(P,Q,A!i,B!j), polymerases(Q,R,B!j,L). +polymerases(P,Q,A!i,[B]) :- polymerase(P,Q,A!i,B!j), not polymerase(Q,_,_,_). + +exonuclease(P,R,A@p,[A#L]) :- + P = C[] , unbound(A), Q = C[nil], not protected(A). +protected(_ { "O" }). + +reaction([P], Rate, Q) :- polymerases(P,Q,_,L), find(L,"polymerase", Rate). +reaction([P], Rate, Q) :- exonuclease(P,Q,_,L), find(L,"exonuclease",Rate). + +//The following specifies detailed compilation mode +reaction([P1; P2], Rate, R) :- detailed([P1; P2], Rate, R). +reaction([P], Rate, R) :- detailed([P], Rate, R). + +//The following identifies specific motifs for nicking enzymes +reaction([P], Rate, Q) :- + recognition([A1;A2]), find([A1;A2],"nickase",Rate), + P = C [A1!i1 A2!i2 B!j] [B'!j A2'!i2 A1'!i1], + Q = C [A1!i1 A2!i2> | ] +| 30 [] +| 30 [] +| 1 [] +| 1 [] +| 1 [] +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/oligator_nucleotides.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/oligator_nucleotides.txt new file mode 100644 index 0000000..28a2ac2 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/oligator_nucleotides.txt @@ -0,0 +1,165 @@ +directive rules { +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +//order of find and binds clauses could be reversed. +slow(P1, P2, Rate, Q) :- find(L, "bind", Rate), binds(P1,P2,Q,_,L). //, productive(Q,_,_!i,L). +fast(P, Rate, Q) :- displaces(P,Q,_,L), find(L, "displace", Rate). +fast(P, Rate, Q) :- displacesL(P,Q,_,L), find(L, "displace", Rate). +fast(P, Rate, Q) :- covers(P,Q,_,L), find(L, "cover", Rate). +fast(P, Rate, Q) :- coversL(P,Q,_,L), find(L, "cover", Rate). +fast(P, Rate, Q) :- unbinds(P,Q,_,L), find(L, "unbind", Rate). + +productive(P,Q,E!j,L) :- displaces(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displacesL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- covers(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coversL(P,Q,E!j,L). + +mergestep(P,Q,V) :- fast(P,_,Q), not member(Q,V). +merge(P,P,V) :- not fast(P,_,_). +merge(P,R,V) :- mergestep(P,Q,V), merge(Q,R,[Q#V]). + +infinite([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). +infinite([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + +detailed([P1; P2], Rate, Q):- slow(P1, P2, Rate, Q). +detailed([P], Rate, Q) :- slow(P, Rate, Q). +detailed([P], Rate, Q) :- fast(P, Rate, Q). + +default([_],"unbind",0.1). +//default(_,"bind",0.0003). +default(_,"displace",1.0). +default(_,"cover",1.0). + +polymerase(P,Q,A!i,B!j) :- + P = C [A!i>] [B' A'!i], compl(B, B'), + Q = C [A!i B!j>] [B'!j A'!i], freshBond(B!j, P). + +polymerase(P,Q,A!i,B!j) :- //strand displacing polymerase + P = C [A!i>] [B'!j A'!i] [B!j], + Q = C [A!i B!j>] [B'!j A'!i] [B]. + +polymerases(P,R,A!i,[B#L]) :- polymerase(P,Q,A!i,B!j), polymerases(Q,R,B!j,L). +polymerases(P,Q,A!i,[B]) :- polymerase(P,Q,A!i,B!j), not polymerase(Q,_,_,_). + +exonuclease(P,R,A@p,[A#L]) :- + P = C[] , unbound(A), Q = C[nil], not protected(A). +protected(_ { "O" }). + +reaction([P], Rate, Q) :- polymerases(P,Q,_,L), find(L,"polymerase", Rate). +reaction([P], Rate, Q) :- exonuclease(P,Q,_,L), find(L,"exonuclease",Rate). + +//The following specifies detailed compilation mode +reaction([P1; P2], Rate, R) :- detailed([P1; P2], Rate, R). +reaction([P], Rate, R) :- detailed([P], Rate, R). + +//The following identifies specific motifs for nicking enzymes +reaction([P], Rate, Q) :- + recognition([A1;A2;A3;A4;A5]), find([A1;A2;A3;A4;A5],"nickase",Rate), + P = C [A1!i1 A2!i2 A3!i3 A4!i4 A5!i5 N1 N2 N3 N4 B!j] + [B'!j N4' N3' N2' N1' A5'!i5 A4'!i4 A3'!i3 A2'!i2 A1'!i1], + Q = C [A1!i1 A2!i2 A3!i3 A4!i4 A5!i5 N1 N2 N3 N4> | ] +| 30 [] +| 30 [] +| 1 [] // A +| 1 [] // B +| 1 [] // Inh +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/ribocomputing_AND.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/ribocomputing_AND.txt new file mode 100644 index 0000000..e8fcf2d --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/ribocomputing_AND.txt @@ -0,0 +1,155 @@ +directive rules { + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D@X], compl(D, D'), P2 = C2 [D'@Y], + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2), + not hidden(D@X, Q), + not hidden(D'@Y, Q). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!k], junction(E!j, E'!k, P), + Q = C [E!j D!i] [D] [D'!i E'!k]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!k D'!i], junction(E!j, E'!k, P), + Q = C [D] [D!i E!j] [E'!k D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +(* auxiliary functions *) +hidden(D@X, P) :- + unbound(D), + P = C [A@End D@X B@Start], + path(B@Start, _@End, P, "right", [], Path). + +hidden(D@X, P) :- + unbound(D), + P = C [B@Start D@X A@End], + path(B@Start, _@End, P, "left", [], Path). + +(* path predicate: find a @Path from @Start to @End *) +path(_@End, _@End, _, _, Visited, Path) :- + reverse(Visited, Path). + +path(X@Start, _@End, P, "left", Visited, Path) :- + not (Start = End), + P = C[Y@Start' X@Start], + not member(Y@Start', Visited), + path(Y@Start', _@End, P, "left", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "right", Visited, Path) :- + not (Start = End), + P = C[X@Start Y@Start'], + not member(Y@ Start', Visited), + path(Y@Start', _@End, P, "right", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "left", Visited, Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "right", Visited, Path). + +path(D!i@Start, _@End, P, _, Visited, Path) :- + not (Start = End), + P = C [D!i@Start] [D'!i@Start'], + not member(D'!i@Start', Visited), + path(D'!i@Start', _@End, P, "any", [D!i@Start # Visited], Path). + +junction(A, B, P) :- junctionR(A, B, P, []). +junction(A, B, P) :- junctionL(A, B, P, []). +junctionR(_!j,_!j,_,_). +junctionR(E!j,F!k,Q,V):- + Q = C [F!k] [G!l@X E'!j@Y] [E!j], + not member(X, V), + not member(Y, V), + junctionR(G!l,F!k,Q,[X;Y#V]). + +junctionL(_!j,_!j,_, _). +junctionL(E!j,F!k,Q, V):- + Q = C [F!k] [E'!j@X G!l@Y] [E!j], + not member(X, V), + not member(Y, V), + junctionL(G!l,F!k,Q,[X;Y#V]). + + +(* infinite semantics *) +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +slow(P1, P2, Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), productive(Q,_,D!i,L). +slow(P1, P2, Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), not unbind(Q, _, D!i, _). +fast(P, Q) :- displaces(P,Q,_,L).//, find(L, "displace", Rate). +fast(P, Q) :- displacesL(P,Q,_,L).//, find(L, "displace", Rate). +fast(P, Q) :- covers(P,Q,_,L).//, find(L, "cover", Rate). +fast(P, Q) :- coversL(P,Q,_,L).//, find(L, "cover", Rate). +fast(P, Q) :- unbinds(P,Q,_,L).//, find(L, "unbind", Rate). + +productive(P,Q,E!j,L) :- displace(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displaceL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- cover(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coverL(P,Q,E!j,L). + +merge(P,P,V) :- not fast(P,_). +merge(P,R,V) :- fast(P,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). +reaction([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + +default([_],"unbind",0.1). +default(_,"bind","bind"). +default(_,"displace",1.0). +default(_,"cover",1.0). + +(* ribosome binding and expression *) +reaction([P], "expression", Q) :- + P = C [rbs@X D aug^] [nil], not hidden(rbs@X, P), + Q = C [rbs D aug^] []. + +} +directive parameters [ + bind = 1; + expression = 1; +] + +directive simulation { final=5000; plots=[] } + +( 1 [] +| 1 [] +| 1 [] ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/ribocomputing_OR.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/ribocomputing_OR.txt new file mode 100644 index 0000000..6a056c3 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/ribocomputing_OR.txt @@ -0,0 +1,157 @@ +directive rules { + +bind(P1,P2,Q,D!i) :- + P1 = C1 [D@X], compl(D, D'), P2 = C2 [D'@Y], + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2), + not hidden(D@X, Q), + not hidden(D'@Y, Q). + +displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!k], junction(E!j, E'!k, P), + Q = C [E!j D!i] [D] [D'!i E'!k]. + +displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!k D'!i], junction(E!j, E'!k, P), + Q = C [D] [D!i E!j] [E'!k D'!i]. + +unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + +adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. +adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + +cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + +coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + +binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). +binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + +displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). +displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + +displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). +displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + +covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). +covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + +coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). +coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + +unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). +boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. +unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + +(* auxiliary functions *) +hidden(D@X, P) :- + unbound(D), + P = C [A@End D@X B@Start], + path(B@Start, _@End, P, "right", [], Path). + +hidden(D@X, P) :- + unbound(D), + P = C [B@Start D@X A@End], + path(B@Start, _@End, P, "left", [], Path). + +(* path predicate: find a @Path from @Start to @End *) +path(_@End, _@End, _, _, Visited, Path) :- + reverse(Visited, Path). + +path(X@Start, _@End, P, "left", Visited, Path) :- + not (Start = End), + P = C[Y@Start' X@Start], + not member(Y@Start', Visited), + path(Y@Start', _@End, P, "left", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "right", Visited, Path) :- + not (Start = End), + P = C[X@Start Y@Start'], + not member(Y@ Start', Visited), + path(Y@Start', _@End, P, "right", [X@Start # Visited], Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "left", Visited, Path). + +path(X@Start, _@End, P, "any", Visited, Path) :- + not (Start = End), + path(X@Start, _@End, P, "right", Visited, Path). + +path(D!i@Start, _@End, P, _, Visited, Path) :- + not (Start = End), + P = C [D!i@Start] [D'!i@Start'], + not member(D'!i@Start', Visited), + path(D'!i@Start', _@End, P, "any", [D!i@Start # Visited], Path). + +junction(A, B, P) :- junctionR(A, B, P, []). +junction(A, B, P) :- junctionL(A, B, P, []). +junctionR(_!j,_!j,_,_). +junctionR(E!j,F!k,Q,V):- + Q = C [F!k] [G!l@X E'!j@Y] [E!j], + not member(X, V), + not member(Y, V), + junctionR(G!l,F!k,Q,[X;Y#V]). + +junctionL(_!j,_!j,_, _). +junctionL(E!j,F!k,Q, V):- + Q = C [F!k] [E'!j@X G!l@Y] [E!j], + not member(X, V), + not member(Y, V), + junctionL(G!l,F!k,Q,[X;Y#V]). + + +(* infinite semantics *) +find(D,Type,Rate):- rate(D,Type,Rate). +find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + +slow(P1, P2, Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), productive(Q,_,D!i,L). +slow(P1, P2, Rate, Q) :- binds(P1,P2,Q,D!i,L),find(L, "bind", Rate), not unbind(Q, _, D!i, _). +fast(P, Q) :- displaces(P,Q,_,L).//, find(L, "displace", Rate). +fast(P, Q) :- displacesL(P,Q,_,L).//, find(L, "displace", Rate). +fast(P, Q) :- covers(P,Q,_,L).//, find(L, "cover", Rate). +fast(P, Q) :- coversL(P,Q,_,L).//, find(L, "cover", Rate). +fast(P, Q) :- unbinds(P,Q,_,L).//, find(L, "unbind", Rate). + +productive(P,Q,E!j,L) :- displace(P,Q,E!j,L). +productive(P,Q,E!j,L) :- displaceL(P,Q,E!j,L). +productive(P,Q,E!j,L) :- cover(P,Q,E!j,L). +productive(P,Q,E!j,L) :- coverL(P,Q,E!j,L). + +merge(P,P,V) :- not fast(P,_). +merge(P,R,V) :- fast(P,Q), not member(Q,V), merge(Q,R,[Q#V]). + +reaction([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). +reaction([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + +default([_],"unbind",0.1). +default(_,"bind","bind"). +default(_,"displace",1.0). +default(_,"cover",1.0). + +(* ribosome binding and expression *) +reaction([P], "expression", Q) :- + P = C [rbs@X D aug^] [nil], not hidden(rbs@X, P), + Q = C [rbs D aug^] []. + +} +directive parameters [ + bind = 1; + expression = 1; +] + +directive simulation { final=5000; plots=[] } + +( 1 [] +| 1 [] +| 1 [] +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/RulesDSD/walker_enzymatic.txt b/ClassicDSD/Examples/DSDModels/RulesDSD/walker_enzymatic.txt new file mode 100644 index 0000000..6aa8db9 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/RulesDSD/walker_enzymatic.txt @@ -0,0 +1,167 @@ +directive task { task = parse } +directive rules { + // Classic DSD semantics apart from bind + unbind(P,Q,D!i) :- + P = C [D!i] [D'!i], toehold(D), + Q = C [D] [D'], not adjacent(D!i,_,P). + + adjacent(D!i,E!j,P) :- P = C [D!i E!j] [E'!j D'!i]. + adjacent(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + + displace(P,Q,E!j,D!i) :- + P = C [E!j D] [D!i] [D'!i E'!j], + Q = C [E!j D!i] [D] [D'!i E'!j]. + + displaceL(P,Q,E!j,D!i) :- + P = C [D!i] [D E!j] [E'!j D'!i], + Q = C [D] [D!i E!j] [E'!j D'!i]. + + cover(P,Q,E!j,D!i) :- + P = C [E!j D] [D' E'!j], compl(D, D'), + Q = C [E!j D!i] [D'!i E'!j], freshBond(D!i,P). + + coverL(P,Q,E!j,D!i) :- + P = C [D E!j] [E'!j D'], compl(D, D'), + Q = C [D!i E!j] [E'!j D'!i], freshBond(D!i,P). + + binds(P1,P2,R,D!i,[D#L]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), covers(Q,R,D!i,L). + binds(P1,P2,Q,D!i,[D]) :- bind(P1,P2,Q,D!i), not coverL(Q,_,D!i,_), not cover(Q,_,D!i,_). + + displaces(P,R,E!j,[D#L]) :- displace(P,Q,E!j,D!i), displaces(Q,R,D!i,L). + displaces(P,Q,E!j,[D]) :- displace(P,Q,E!j,D!i), not displace(Q,_,D!i,_). + + displacesL(P,R,E!j,[D#L]) :- displaceL(P,Q,E!j,D!i), displacesL(Q,R,D!i,L). + displacesL(P,Q,E!j,[D]) :- displaceL(P,Q,E!j,D!i), not displaceL(Q,_,D!i,_). + + covers(P,R,E!j,[D#L]) :- cover(P,Q,E!j,D!i), covers(Q,R,D!i,L). + covers(P,Q,E!j,[D]) :- cover(P,Q,E!j,D!i), not cover(Q,_,D!i,_). + + coversL(P,R,E!j,[D#L]) :- coverL(P,Q,E!j,D!i), coversL(Q,R,D!i,L). + coversL(P,Q,E!j,[D]) :- coverL(P,Q,E!j,D!i), not coverL(Q,_,D!i,_). + + unbinds(P,R,D!i,[D#L]) :- + P = C [D!i E!j] [E'!j D'!i], toehold(D), not boundL(D!i,_,P), + Q = C [D E!j] [E'!j D'], unbinds(Q,R,E!j,L). + boundL(D!i,E!j,P) :- P = C [E!j D!i] [D'!i E'!j]. + unbinds(P,Q,D!i,[D]) :- unbind(P,Q,D!i). + + find(D,Type,Rate):- rate(D,Type,Rate). + find(D,Type,Rate):- default(D,Type,Rate), not rate(D,Type,_). + + //order of find and binds clauses could be reversed. + slow(P1, P2, Rate, Q) :- find(L, "bind", Rate), binds(P1,P2,Q,_,L). //, productive(Q,_,_!i,L). + fast(P, Rate, Q) :- displaces(P,Q,_,L), find(L, "displace", Rate). + fast(P, Rate, Q) :- displacesL(P,Q,_,L), find(L, "displace", Rate). + fast(P, Rate, Q) :- covers(P,Q,_,L), find(L, "cover", Rate). + fast(P, Rate, Q) :- coversL(P,Q,_,L), find(L, "cover", Rate). + fast(P, Rate, Q) :- unbinds(P,Q,_,L), find(L, "unbind", Rate). + + productive(P,Q,E!j,L) :- displaces(P,Q,E!j,L). + productive(P,Q,E!j,L) :- displacesL(P,Q,E!j,L). + productive(P,Q,E!j,L) :- covers(P,Q,E!j,L). + productive(P,Q,E!j,L) :- coversL(P,Q,E!j,L). + + mergestep(P,Q,V) :- fast(P,_,Q), not member(Q,V). + merge(P,P,V) :- not fast(P,_,_). + merge(P,R,V) :- mergestep(P,Q,V), merge(Q,R,[Q#V]). + + infinite([P1; P2], Rate, R) :- slow(P1, P2, Rate, Q), merge(Q,R,[(P1|P2);Q]). + infinite([P], Rate, R) :- slow(P, Rate, Q), merge(Q,R,[P;Q]). + + detailed([P1; P2], Rate, Q):- slow(P1, P2, Rate, Q). + detailed([P], Rate, Q) :- slow(P, Rate, Q). + detailed([P], Rate, Q) :- fast(P, Rate, Q). + + default([_],"unbind",0.1). + default(_,"bind",0.0003). + default(_,"displace",1.0). + default(_,"cover",1.0). + + //The following specifies infinite compilation mode + reaction([P1; P2], Rate, R) :- detailed([P1; P2], Rate, R). + reaction([P], Rate, R) :- detailed([P], Rate, R). + +// Localised bind rule + bind(P1,P2,Q,D!i) :- + proximal(P1, P2), + P1 = C1 [D], P2 = C2 [D'], compl(D, D'), + Q = C1 [D!i] | C2 [D'!i], freshBond(D!i, P1|P2). + + (*** proximal(P1, P2): P1 and P2 are close enough if either one of them is not tethered, + or if they are tethered in the same region. ***) + proximal(P1, P2) :- + tethers(P1, Ts1), + tethers(P2, Ts2), + shared(Ts1, Ts2), + pruning(P1, P2). + + shared([], _). + shared(_, []). + shared(Ts1, Ts2) :- + not (Ts1 = []), not (Ts2 = []), + hasIntersection(Ts1, Ts2). + + hasIntersection(Ts1, Ts2) :- + concat(Ts1, T1), + concat(Ts2, T2), + not intersection(T1, T2, []). + + (* CRN pruning: bind P1 and P2 only if they have a most one tether each. + Tethers are also unique, so discard P1 and P2 if they both share a tether *) + pruning(P1, P2) :- + tetheredDomains(P1, D1), length(D1, N1), N1 <= 1, + tetheredDomains(P2, D2), length(D2, N2), N2 <= 1, + intersection(D1, D2, []). + + + (*** tetheredDomains(P, TDs) : find all tethered domains in P ***) + filterTetheredDomains([], []). + filterTetheredDomains([D#Ds], [D#Ts]) :- + tethered(D, _), + filterTetheredDomains(Ds, Ts). + + filterTetheredDomains([D#Ds], Ts) :- + not tethered(D, _), + filterTetheredDomains(Ds, Ts). + + tetheredDomains(P, TDs) :- + toDomains(P, Ds), // in-built predicate + filterTetheredDomains(Ds, TDs). + + (*** tethers(P, L): find all the tethers L in process P ***) + filterTethers([], []). + filterTethers([T#Ds], [Ls#Ts]) :- + tethered(T, Ls), + filterTethers(Ds, Ts). + + filterTethers([D#Ds], Ts) :- + not tethered(D, _), + filterTethers(Ds, Ts). + + tethers(P, Ts) :- + toDomains(P, Ds), // in-built predicate + filterTethers(Ds, Ts). + +// nicking reaction +reaction([P], "nicking", Q) :- recognition([A1;A2]), + P = C [A1!i1 A2!i2 B!j] [B'!j A2'!i2 A1'!i1], + Q = C [A1!i1 A2!i2 B!j] [B'!j> | // walker + | ] // track A +| 1 [ ] // track B +| 1 [ ] // track C +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Scienze 2007 - Catalytic Directives.txt b/ClassicDSD/Examples/DSDModels/Scienze 2007 - Catalytic Directives.txt new file mode 100644 index 0000000..e61a5f9 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Scienze 2007 - Catalytic Directives.txt @@ -0,0 +1,7 @@ +directive simulation {initial=0; final=7000; points=1000; plots=[<2 3^ 4>; <4 5^>; <1 2>; <6 3^ 4>; <1>[2]:<6>[3^ 4]{5^*}]} +directive stochastic {scale = 500.000000; trajectories = 1} +new 3 @ 0.00042, 0.04 +new 5 @ 0.00065, 0.004 +( 13.0 * <2 3^ 4> +| 10.0 * <4 5^> +| 10.0 * <1>[2]:<6>[3^ 4]{5^*}) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Scienze 2007 - Catalytic.txt b/ClassicDSD/Examples/DSDModels/Scienze 2007 - Catalytic.txt new file mode 100644 index 0000000..b92235f --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Scienze 2007 - Catalytic.txt @@ -0,0 +1,7 @@ +directive simulation {initial=0; final=7000; points=1000; plots=[]} +directive stochastic {scale = 500.000000; trajectories = 1} +new 3 @ 0.00042, 0.04 +new 5 @ 0.00065, 0.004 +( 13.0 * <2 3^ 4> +| 10.0 * <4 5^> +| 10.0 * <1>[2]:<6>[3^ 4]{5^*}) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Simple - AND Circuit.txt b/ClassicDSD/Examples/DSDModels/Simple - AND Circuit.txt new file mode 100644 index 0000000..e7333d3 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Simple - AND Circuit.txt @@ -0,0 +1,13 @@ +directive simulation {initial=0; final=1000000; points=1000; plots=[<1^ 2>; <3 4^>; <2 3>]} +directive stochastic {scale = 100.000000; trajectories = 1} +def N1 = 1.0 +def N2 = 1.0 +def N = 10.0 +def Input1() = <1^ 2> +def Input2() = <3 4^> +def Output() = <2 3> +def AND() = {1^*}[2 3]{4^*} +( N1 * Input1() +| N2 * Input2() +| N * AND() +| 0.0 * Output()) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Simple - Hairpin-free HCR.txt b/ClassicDSD/Examples/DSDModels/Simple - Hairpin-free HCR.txt new file mode 100644 index 0000000..310fcb2 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Simple - Hairpin-free HCR.txt @@ -0,0 +1,10 @@ +directive simulation {initial=0; final=10000; points=1000; plots=[]} +directive polymers +directive jit +def XS = 1000.0 +def N = 3.0 +( +| N * {t^*}[a u^]{b*} +| XS * [a]{u^*} +| XS * [b] +| N * [b t^]) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Simple - Migrations.txt b/ClassicDSD/Examples/DSDModels/Simple - Migrations.txt new file mode 100644 index 0000000..82df490 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Simple - Migrations.txt @@ -0,0 +1,4 @@ +directive simulation {initial=0; final=1; points=1000; plots=[]} +directive compilation detailed +( 1000.0 * [a1]:[a2 a3] +| 1000.0 * [b1]:[b2]:[b3]) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Simple - Monomers.txt b/ClassicDSD/Examples/DSDModels/Simple - Monomers.txt new file mode 100644 index 0000000..4696812 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Simple - Monomers.txt @@ -0,0 +1,4 @@ +directive simulation {initial=0; final=1000; points=100; plots=[]} +directive polymers +directive jit +( 5.0 * {t^*}[x]:[y]) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Square root - Qian and Winfree 4 bit square root circuit.txt b/ClassicDSD/Examples/DSDModels/Square root - Qian and Winfree 4 bit square root circuit.txt new file mode 100644 index 0000000..5b33ebf --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Square root - Qian and Winfree 4 bit square root circuit.txt @@ -0,0 +1,273 @@ +directive simulation {initial=0; final=36000; points=10000; plots=[<_ _ _ y1_1>; <_ _ _ y1_0>; <_ _ _ y2_1>; <_ _ _ y2_0>]} +directive stochastic {scale = 20.000000; trajectories = 1} +directive toeholds 0.002 1.3 +directive leak 1E-08 +directive tau 1 +def shorttoeholdunbind = 26.0 +def shorttoeholdbind = 5E-05 +dom t = {seq = TCT; bind = shorttoeholdbind; unbind = shorttoeholdunbind} +dom S1 = {seq = CATCCATTCCACTCA} +dom S2 = {seq = CAAAACAAAACCTCA} +dom S3 = {seq = CACCCTAAAATCTCA} +dom S4 = {seq = CACATAACAACCACA} +dom S5L = {seq = CACC} +dom S5 = {seq = ACCAAAC} +dom S5R = {seq = TTCA} +dom S6 = {seq = CATAACACAATCACA} +dom S7L = {seq = CAAC} +dom S7 = {seq = ATATCAA} +dom S7R = {seq = TTCA} +dom S8 = {seq = CACTAACATACAACA} +dom S9L = {seq = CACC} +dom S9 = {seq = ATCAAAT} +dom S9R = {seq = AACA} +dom S10 = {seq = CATACAACATCTACA} +dom S11L = {seq = CAAT} +dom S11 = {seq = ATCCATA} +dom S11R = {seq = ACCA} +dom S12L = {seq = CATC} +dom S12 = {seq = AATCAAC} +dom S12R = {seq = ACCA} +dom S13L = {seq = CACA} +dom S13 = {seq = ACTCATT} +dom S13R = {seq = ACCA} +dom S14L = {seq = CATT} +dom S14 = {seq = ATTCAAA} +dom S14R = {seq = CCCA} +dom S15L = {seq = CACA} +dom S15 = {seq = CTATAAT} +dom S15R = {seq = TCCA} +dom S16L = {seq = CACT} +dom S16 = {seq = TCATAAA} +dom S16R = {seq = TCCA} +dom S17L = {seq = CAAC} +dom S17 = {seq = TCCTAAT} +dom S17R = {seq = ATCA} +dom S18L = {seq = CATC} +dom S18 = {seq = TTCTAAC} +dom S18R = {seq = ATCA} +dom S19L = {seq = CACC} +dom S19 = {seq = TCTTAAA} +dom S19R = {seq = CACA} +dom S20L = {seq = CAAT} +dom S20 = {seq = CTAACAC} +dom S20R = {seq = TCCA} +dom S21L = {seq = CAAC} +dom S21 = {seq = CATACTA} +dom S21R = {seq = AACA} +dom S22L = {seq = CATT} +dom S22 = {seq = CCTACAT} +dom S22R = {seq = TTCA} +dom S23L = {seq = CAAA} +dom S23 = {seq = TCTTCAT} +dom S23R = {seq = CCCA} +dom S24 = {seq = CACTCATCCTTTACA} +dom S25 = {seq = CAATTCACTCAATCA} +dom S26 = {seq = CATTCATTACCTCCA} +dom S27 = {seq = CAAACACTCTATTCA} +dom S28L = {seq = CATC} +dom S28 = {seq = TACAATT} +dom S28R = {seq = CACA} +dom S29L = {seq = CACC} +dom S29 = {seq = AATACTC} +dom S29R = {seq = CTCA} +dom S30L = {seq = CACC} +dom S30 = {seq = ATTACAA} +dom S30R = {seq = TCCA} +dom S31L = {seq = CAAT} +dom S31 = {seq = CCACACT} +dom S31R = {seq = TCCA} +dom S32L = {seq = CACA} +dom S32 = {seq = CTTCAAA} +dom S32R = {seq = CTCA} +dom S33L = {seq = CAAC} +dom S33 = {seq = TCAAACA} +dom S33R = {seq = TACA} +dom S34L = {seq = CACA} +dom S34 = {seq = TAACAAA} +dom S34R = {seq = ACCA} +dom S35L = {seq = CACT} +dom S35 = {seq = CTCCATC} +dom S35R = {seq = ACCA} +dom S36L = {seq = CAAA} +dom S36 = {seq = CTAAACA} +dom S36R = {seq = ACCA} +dom S37L = {seq = CACC} +dom S37 = {seq = TCTTCCC} +dom S37R = {seq = TTCA} +dom S38L = {seq = CATA} +dom S38 = {seq = CCCTTTT} +dom S38R = {seq = CTCA} +dom S39L = {seq = CACT} +dom S39 = {seq = ATACACA} +dom S39R = {seq = CCCA} +dom S40L = {seq = CAAT} +dom S40 = {seq = ACAAATC} +dom S40R = {seq = CACA} +dom S41L = {seq = CAAC} +dom S41 = {seq = AAACCAT} +dom S41R = {seq = TACA} +dom S42L = {seq = CACT} +dom S42 = {seq = TTTCACT} +dom S42R = {seq = ATCA} +dom S43L = {seq = CATC} +dom S43 = {seq = ATACCTA} +dom S43R = {seq = CTCA} +dom S44L = {seq = CAAA} +dom S44 = {seq = ACTCTCT} +dom S44R = {seq = CTCA} +dom S45L = {seq = CACC} +dom S45 = {seq = CAAAACC} +dom S45R = {seq = CACA} +dom S46L = {seq = CAAA} +dom S46 = {seq = CCCAACT} +dom S46R = {seq = CACA} +dom S47L = {seq = CATT} +dom S47 = {seq = CTCCCAC} +dom S47R = {seq = CTCA} +dom S48L = {seq = CATC} +dom S48 = {seq = ACCACTA} +dom S48R = {seq = TACA} +dom S49L = {seq = CATC} +dom S49 = {seq = CTTAACT} +dom S49R = {seq = CCCA} +dom S50L = {seq = CATT} +dom S50 = {seq = ACCAACC} +dom S50R = {seq = ACCA} +dom S51L = {seq = CACA} +dom S51 = {seq = AACTACA} +dom S51R = {seq = TCCA} +dom S52L = {seq = CACT} +dom S52 = {seq = TCACAAC} +dom S52R = {seq = TACA} +dom S53L = {seq = CATA} +dom S53 = {seq = TCTAATC} +dom S53R = {seq = TCCA} +dom fL = {seq = CATT} +dom f = {seq = TTTTTTT} +dom fR = {seq = TTCA} +def N = 5.0 +def OFF = (1.0 * N) +def ON = (9.0 * N) +def signal(N, (iL, i, iR), (jL, j, jR)) = ( N * ) +def gateL(N, (iL, i, iR), (jL, j, jR)) = ( N * {t^*}[iL^ i iR^ t^]) +def gateR(N, (iL, i, iR), (jL, j, jR)) = ( N * [t^ jL^ j jR^]{t^*}) +def thresholdL(N, (iL, i, iR), (jL, j, jR)) = ( N * {iR^* t^*}[jL^ j jR^]) +def thresholdR(N, (iL, i, iR), (jL, j, jR)) = ( N * [iL^ i iR^]{t^* jL^*}) +def reporter(N, (iL, i, iR), Fluor) = ( N * {t^*}[iL^ i iR^]) +def F = (fL,f,fR) +def seesawOR2I2O(I1, I2, K1, K2) = + (( gateL((20.0 * N),I1,I2) + | thresholdL((6.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | gateL((10.0 * N),I2,K2) + | signal((40.0 * N),I2,F))) +def seesawAND2I2O(I1, I2, K1, K2) = + (( gateL((20.0 * N),I1,I2) + | thresholdL((12.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | gateL((10.0 * N),I2,K2) + | signal((40.0 * N),I2,F))) +def seesawOR2I1O(I1, I2, K1) = + (( gateL((20.0 * N),I1,I2) + | thresholdL((6.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | signal((20.0 * N),I2,F))) +def seesawAND2I1O(I1, I2, K1) = + (( gateL((20.0 * N),I1,I2) + | thresholdL((12.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | signal((20.0 * N),I2,F))) +def seesawAND3I1O(I1, I2, K1) = + (( gateL((30.0 * N),I1,I2) + | thresholdL((22.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | signal((20.0 * N),I2,F))) +def seesawOR3I1O(I1, I2, K1) = + (( gateL((30.0 * N),I1,I2) + | thresholdL((6.0 * N),I1,I2) + | gateL((10.0 * N),I2,K1) + | signal((20.0 * N),I2,F))) +def inputfanout3O(J, I, K1, K2, K3) = + (( thresholdL((2.0 * N),J,I) + | gateL((10.0 * N),I,K1) + | gateL((10.0 * N),I,K2) + | gateL((10.0 * N),I,K3) + | signal((60.0 * N),I,F))) +def reporterREST(I1, I2, I3) = + (( gateL((10.0 * N),I1,I2) + | thresholdL((4.0 * N),I1,I2) + | gateL((10.0 * N),I2,I3) + | signal((20.0 * N),I2,F))) +def X5 = (S5L,S5,S5R) +def X7 = (S7L,S7,S7R) +def X9 = (S9L,S9,S9R) +def X11 = (S11L,S11,S11R) +def X12 = (S12L,S12,S12R) +def X13 = (S13L,S13,S13R) +def X14 = (S14L,S14,S14R) +def X15 = (S15L,S15,S15R) +def X16 = (S16L,S16,S16R) +def X17 = (S17L,S17,S17R) +def X18 = (S18L,S18,S18R) +def X19 = (S19L,S19,S19R) +def X20 = (S20L,S20,S20R) +def X21 = (S21L,S21,S21R) +def X22 = (S22L,S22,S22R) +def X23 = (S23L,S23,S23R) +def X28 = (S28L,S28,S28R) +def X29 = (S29L,S29,S29R) +def X30 = (S30L,S30,S30R) +def X31 = (S31L,S31,S31R) +def X32 = (S32L,S32,S32R) +def X33 = (S33L,S33,S33R) +def X34 = (S34L,S34,S34R) +def X35 = (S35L,S35,S35R) +def X36 = (S36L,S36,S36R) +def X37 = (S37L,S37,S37R) +def X38 = (S38L,S38,S38R) +def X39 = (S39L,S39,S39R) +def X40 = (S40L,S40,S40R) +def X41 = (S41L,S41,S41R) +def X42 = (S42L,S42,S42R) +def X43 = (S43L,S43,S43R) +def X44 = (S44L,S44,S44R) +def X45 = (S45L,S45,S45R) +def X46 = (S46L,S46,S46R) +def X47 = (S47L,S47,S47R) +def X48 = (S48L,S48,S48R) +def X49 = (S49L,S49,S49R) +def X50 = (S50L,S50,S50R) +def X52 = (S52L,S52,S52R) +new S54L +new S54 +new S54R +def X54 = (S54L,S54,S54R) +( signal(ON,X5,X22) +| signal(OFF,X7,X20) +| signal(ON,X9,X22) +| signal(OFF,X11,X20) +| signal(OFF,X12,X13) +| signal(ON,X14,X15) +| signal(ON,X16,X17) +| signal(OFF,X18,X19) +| seesawOR2I2O(X20,X21,X38,X40) +| seesawAND2I2O(X22,X23,X36,X42) +| seesawOR2I1O(X28,X29,X40) +| seesawAND2I1O(X30,X31,X42) +| seesawAND2I1O(X32,X33,X48) +| seesawOR2I1O(X34,X35,X50) +| seesawAND3I1O(X36,X37,X46) +| seesawOR3I1O(X38,X39,X44) +| seesawAND2I1O(X40,X41,X46) +| seesawOR2I1O(X42,X43,X44) +| seesawAND2I1O(X44,X45,X52) +| seesawOR2I1O(X46,X47,X54) +| inputfanout3O(X12,X13,X28,X32,X38) +| inputfanout3O(X14,X15,X30,X34,X36) +| inputfanout3O(X16,X17,X30,X32,X38) +| inputfanout3O(X18,X19,X28,X34,X36) +| reporter((15.0 * N),X48,y2_0) +| reporter((15.0 * N),X50,y2_1) +| reporter((15.0 * N),X52,y1_0) +| reporter((15.0 * N),X54,y1_1)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Stack Machine, DNA17 - Ripple carry adder.txt b/ClassicDSD/Examples/DSDModels/Stack Machine, DNA17 - Ripple carry adder.txt new file mode 100644 index 0000000..aa79f34 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Stack Machine, DNA17 - Ripple carry adder.txt @@ -0,0 +1,158 @@ +directive simulation { + initial=0; final=10000000; points=1000000; + plots=[ + sum([<_ T^ pS1>]); sum([<_ T^ pS2>]); sum([<_ T^ pS3>]); + sum([<_ T^ pS4>]); sum([<_ T^ pS5>]); sum([<_ T^ pS6>]); + sum([<_ T^ pS7>]); sum([<_ T^ pS8>]); sum([<_ T^ pS9>]); + sum([<_ T^ pS10>]); sum([<_ T^ pS11>]); sum([<_ T^ pS12>]); + sum([<_ T^ pS13>]); sum([<_ T^ pAcc>]); sum([<_ T^ pRej>]); + ]; +} +directive compilation infinite +directive polymers +directive jit +def lots = 20.0 +new mBot +new pBot +new T +def EditStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ) = + (( lots * + | lots * {GlueZ T^} + | lots * [GlueZ* T^*] + | lots * {T^}[mPopZ T^]:[pPushZ T^]{GlueZ})) +def EmptyStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def OneStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def TwoStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def ThreeStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def FourStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def FiveStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU, mR, pR) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def SixStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mX, pX, mY, pY, mW, pW, mU, pU, mR, pR, mP, pP) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def SevenStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mA, pA, mB, pB, mC, pC, mD, pD, mE, pE, mF, pF, mG, pG) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def EightStack(mPushZ, pPushZ, mPopZ, pPopZ, GlueZ, mA, pA, mB, pB, mC, pC, mD, pD, mE, pE, mF, pF, mG, pG, mH, pH) = + (( [T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]:[T^ pPushZ]:[T^ GlueZ*]::[T^* mPopZ]{T^*}:[pPushZ T^]{GlueZ} + | EditStack(mPushZ,pPushZ,mPopZ,pPopZ,GlueZ))) +def Element(mX, mPushZ, pPushZ, pX) = +def Signal(mX, pX) = +def Irrev33x33(mX, pX, mY, pY, mA, pA, mB, pB) = + (new mA + ( lots * {T^*}[pX T^]:[pY T^]:[mA T^]:[mB T^] + | lots * )) +def Irrev53x35(mX, mPushZ1, pPushZ1, pX, mY, pY, mB, pB, mA, mPushZ2, pPushZ2, pA) = + (new mB + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] + | lots * )) +def Irrev53x33(mX, mPushZ1, pPushZ1, pX, mY, pY, mA, pA, mB, pB) = + (new mA + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^]:[mB T^] + | lots * )) +def Irrev53x3(mX, mPushZ1, pPushZ1, pX, mY, pY, mA, pA) = + (new mA + ( lots * {T^*}[pPushZ1 pX T^]:[pY T^]:[mA T^] + | lots * )) +def Irrev33x35(mX, pX, mY, pY, mB, pB, mA, mPushZ2, pPushZ2, pA) = + (new mB + ( lots * {T^*}[pX T^]:[pY T^]:[mB T^]:[mA mPushZ2 T^] + | lots * )) +new mPushA +new pPushA +new mPopA +new pPopA +new GlueA +new mPushB +new pPushB +new mPopB +new pPopB +new GlueB +new mPushC +new pPushC +new mPopC +new pPopC +new GlueC +new mPushX +new pPushX +new mPopX +new pPopX +new GlueX +new mZero +new pZero +new mOne +new pOne +new mS1 +new pS1 +new mS2 +new pS2 +new mS3 +new pS3 +new mS4 +new pS4 +new mS5 +new pS5 +new mS6 +new pS6 +new mS7 +new pS7 +new mS8 +new pS8 +new mS9 +new pS9 +new mS10 +new pS10 +new mS11 +new pS11 +new mS12 +new pS12 +new mS13 +new pS13 +new mAcc +new pAcc +new mRej +new pRej +( TwoStack(mPushA,pPushA,mPopA,pPopA,GlueA,mZero,pZero,mZero,pZero) +| TwoStack(mPushB,pPushB,mPopB,pPopB,GlueB,mZero,pZero,mZero,pZero) +| OneStack(mPushC,pPushC,mPopC,pPopC,GlueC,mZero,pZero) +| EmptyStack(mPushX,pPushX,mPopX,pPopX,GlueX) +| Signal(mS1,pS1) +| Signal(mPopA,pPopA) +| Irrev53x33(mBot,mPushA,pPushA,pBot,mS1,pS1,mS2,pS2,mPopB,pPopB) +| Irrev53x33(mOne,mPushA,pPushA,pOne,mS1,pS1,mS3,pS3,mPopB,pPopB) +| Irrev53x33(mZero,mPushA,pPushA,pZero,mS1,pS1,mS4,pS4,mPopB,pPopB) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS2,pS2,mAcc,pAcc) +| Irrev53x3(mOne,mPushB,pPushB,pOne,mS2,pS2,mRej,pRej) +| Irrev53x3(mZero,mPushB,pPushB,pZero,mS2,pS2,mRej,pRej) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS3,pS3,mRej,pRej) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS3,pS3,mS5,pS5,mPopC,pPopC) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS3,pS3,mS6,pS6,mPopC,pPopC) +| Irrev53x3(mBot,mPushB,pPushB,pBot,mS4,pS4,mRej,pRej) +| Irrev53x33(mOne,mPushB,pPushB,pOne,mS4,pS4,mS6,pS6,mPopC,pPopC) +| Irrev53x33(mZero,mPushB,pPushB,pZero,mS4,pS4,mS7,pS7,mPopC,pPopC) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS5,pS5,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS5,pS5,mS8,pS8,mOne,mPushC,pPushC,pOne) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS5,pS5,mS9,pS9,mOne,mPushC,pPushC,pOne) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS6,pS6,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS6,pS6,mS9,pS9,mOne,mPushC,pPushC,pOne) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS6,pS6,mS10,pS10,mZero,mPushC,pPushC,pZero) +| Irrev53x3(mBot,mPushC,pPushC,pBot,mS7,pS7,mRej,pRej) +| Irrev53x35(mOne,mPushC,pPushC,pOne,mS7,pS7,mS10,pS10,mZero,mPushC,pPushC,pZero) +| Irrev53x35(mZero,mPushC,pPushC,pZero,mS7,pS7,mS11,pS11,mZero,mPushC,pPushC,pZero) +| Irrev33x35(mPopC,pPopC,mS8,pS8,mS13,pS13,mOne,mPushX,pPushX,pOne) +| Irrev33x35(mPopC,pPopC,mS9,pS9,mS12,pS12,mZero,mPushX,pPushX,pZero) +| Irrev33x35(mPopC,pPopC,mS10,pS10,mS13,pS13,mOne,mPushX,pPushX,pOne) +| Irrev33x35(mPopC,pPopC,mS11,pS11,mS12,pS12,mZero,mPushX,pPushX,pZero) +| Irrev33x33(mPopX,pPopX,mS12,pS12,mS1,pS1,mPopA,pPopA) +| Irrev33x33(mPopX,pPopX,mS13,pS13,mS1,pS1,mPopA,pPopA)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/TransmissionLines.txt b/ClassicDSD/Examples/DSDModels/TransmissionLines.txt new file mode 100644 index 0000000..f7f0ad5 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/TransmissionLines.txt @@ -0,0 +1,24 @@ +directive polymers +directive localconcentrations [ (a, 100000); (b, 100000) ] + +dom a0 = { colour = "red" } +dom x = { colour = "green" } +dom y = { colour = "blue" } +dom r = { colour = "purple" } +dom Q = { colour = "black" } +dom F = { colour = "black" } + +def input() = +def fuel() = [s*]{x^> +def probe() = [s*]{F^} +def origami() = [[ {tether(a) a0^*}[s]{y^> + | {tether(a,b) x^*}[s]{y^> + | {tether(b) x^*}[s]{r^> ]] +def reporter() = {s F^} + +( input() +| 2 of fuel() +| probe() +| origami() +| 0 of reporter() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Tutorial - Join.txt b/ClassicDSD/Examples/DSDModels/Tutorial - Join.txt new file mode 100644 index 0000000..7fd0dc9 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Tutorial - Join.txt @@ -0,0 +1,26 @@ +directive simulation { + final = 600; + plots = [Input1(); Input2(); Output(); Signal()]; +} +directive simulator deterministic +directive parameters [ + k = 0.003; + u = 0.1; +] +directive compilation infinite +dom tb = {bind = k; unbind = u; colour = "red"} +dom tx = {bind = k; unbind = u; colour = "green"} +dom to = {bind = k; unbind = u; colour = "blue"} +def Input1() = +def Input2() = +def Output() = +def Join() = {tb^*}[b tx^]:[x to^] +def Reporter() = [x]{to^*} +def Signal() = +( 10 Input1() +| 10 Input2() +| 0 Output() +| 100 Join() +| 100 Reporter() +| 0 Signal() +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/01 standard dsd.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/01 standard dsd.dna new file mode 100644 index 0000000..4c5ec54 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/01 standard dsd.dna @@ -0,0 +1,5 @@ +( +| {1 2 3} +| [hello world] +| {lower left}[middle]{lower right} +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/02 standard gates.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/02 standard gates.dna new file mode 100644 index 0000000..77725cc --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/02 standard gates.dna @@ -0,0 +1,7 @@ +( +| {1 2 3} +| [hello world] +| {lower left}[middle]{lower right} +| {ll_1}[m_1]{lr_1}:{ll_2}[m_2]{lr_2} +| {ll_1}[m_1]{lr_1}::{ll_2}[m_2]{lr_2} +) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/03 standard reaction.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/03 standard reaction.dna new file mode 100644 index 0000000..02c5965 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/03 standard reaction.dna @@ -0,0 +1,5 @@ +directive compilation detailed + +( {x^*}[y]<5> +| +) diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/04 rxn basic.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/04 rxn basic.dna new file mode 100644 index 0000000..34331c9 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/04 rxn basic.dna @@ -0,0 +1 @@ +rxn -> diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/05 rxn rate.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/05 rxn rate.dna new file mode 100644 index 0000000..00bf054 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/05 rxn rate.dna @@ -0,0 +1,2 @@ +directive parameters [deg = 0.01] +rxn ->{deg} diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/06 rxn Michaelis-Menten.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/06 rxn Michaelis-Menten.dna new file mode 100644 index 0000000..4e4cd53 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/06 rxn Michaelis-Menten.dna @@ -0,0 +1,15 @@ +//old_syntax +directive parameters + [ k1 = 0.07 + ; k2 = 0.17 + ; k3 = 0.02 ] +directive simulation deterministic +directive duration 0,100 +directive scale 500.0 + +( {e1} | +| {e2} | +| rxn {e1} + <->{k1,k3} {es1} +| rxn {es1} ->{k2} {e1} + [x] +| rxn {e2} + ->[(k2 * []) / ((k2+k3)/k1 + [])] {e2} + [y] +) diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/07 hairpins basic.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/07 hairpins basic.dna new file mode 100644 index 0000000..abd0319 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/07 hairpins basic.dna @@ -0,0 +1,3 @@ +( [x]{a b> +| +| +| [x] ]] \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/11 tethers untethered.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/11 tethers untethered.dna new file mode 100644 index 0000000..38f047e --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/11 tethers untethered.dna @@ -0,0 +1,3 @@ +[[ + | {x^*} +]] diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/12 tethers free.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/12 tethers free.dna new file mode 100644 index 0000000..261dcd8 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/12 tethers free.dna @@ -0,0 +1,3 @@ +( [[ ]] +| {x^*} +) diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/13 tethers free react.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/13 tethers free react.dna new file mode 100644 index 0000000..280f19d --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/13 tethers free react.dna @@ -0,0 +1,5 @@ +directive unproductive + +( [[ ]] +| {x^*} +) diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/14 tethers tethered react.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/14 tethers tethered react.dna new file mode 100644 index 0000000..95f7946 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/14 tethers tethered react.dna @@ -0,0 +1,6 @@ +directive locations [a = 100000] +directive unproductive + +[[ + | {tether(a) x^*} +]] diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/15 tethers react compete.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/15 tethers react compete.dna new file mode 100644 index 0000000..ac19391 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/15 tethers react compete.dna @@ -0,0 +1,8 @@ +directive locations [a = 100000] +directive unproductive + +( [[ + | {tether(a) x^*} + ]] +| {x^*} +) diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/16 tethers react compete lc.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/16 tethers react compete lc.dna new file mode 100644 index 0000000..2c26d42 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/16 tethers react compete lc.dna @@ -0,0 +1,8 @@ +directive unproductive +directive localconcentrations [ (a, 100) ] + +( [[ + | {tether(a) x^*} + ]] +| {x^*} +) diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/17 tethers tag intuition.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/17 tethers tag intuition.dna new file mode 100644 index 0000000..934b74c --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/17 tethers tag intuition.dna @@ -0,0 +1,8 @@ +directive locations [a = 10000; b=100; c=1] +directive unproductive + +[[ [s]:[x^] +| {tether(a) s* x^*} +| {tether(b) s* x^*} +| {tether(c) s* x^*} +]] diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/Walker.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/Walker.dna new file mode 100644 index 0000000..9bb6f4b --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/Walker.dna @@ -0,0 +1,15 @@ +(* 3-stator Walker *) +//old_syntax +directive sample 40000.0 1000 +directive simulation jit +directive compilation infinite +directive polymers +directive localconcentrations [ (a, 100000); (b, 100000) ] + +[[ {tether(a) y^*}[s l^] + | {r^*}[s]{x^* tether(a,b)} + | {tether(b) z^*}[s]{l^*} + | {tether(0) q^*}[s] + | {tether(1) w^*}[s] +]] + \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/circular_walker.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/circular_walker.dna new file mode 100644 index 0000000..373d2bb --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/circular_walker.dna @@ -0,0 +1,27 @@ +(* 4-stator Circular Walker *) + +(* Click CRN, then click states when warned of a big graph. Both take a bit of time *) + +//old_syntax +directive sample 40000.0 1000 +directive simulation jit +directive compilation infinite +directive polymers +directive localconcentrations [ (a, 10000); (b, 10000); (c, 10000); (d, 10000) ] + +dom r = { colour = "red" } +dom l = { colour = "green" } + +def walker() = [[ {tether(d,a) a^*}[s l^] + | {r^*}[s]{b^* tether(a,b)} + | {tether(b,c) c^*}[s]{l^*} + | {r^*}[s]{d^* tether(c,d)} ]] +def fuels() = [[ {tether(0) ma^*}[s] + | {tether(1) mb^*}[s] + | {tether(2) mc^*}[s] + | {tether(3) md^*}[s] ]] + +( walker() +| fuels() +) + \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/WalkerTalk/split_circular_walker.dna b/ClassicDSD/Examples/DSDModels/WalkerTalk/split_circular_walker.dna new file mode 100644 index 0000000..4de34af --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/WalkerTalk/split_circular_walker.dna @@ -0,0 +1,27 @@ +(* 4-stator Circular Walker *) +//old_syntax +directive sample 40000.0 1000 +directive simulation jit +(* +directive compilation detailed +directive unproductive +*) +directive polymers +directive localconcentrations [ (a, 10000); (b, 10000); (c, 10000); (d, 10000) ] + +dom r = { colour = "red" } +dom l = { colour = "green" } + +def walker() = [[ {tether(d,a) a^*}[s l^] + | {r^*}[s]{b^* tether(a,b)} + | {tether(b,c) c^*}[s]{l^*} + | {r^*}[s]{d^* tether(c,d)} ]] +def fuels() = [[ {tether(0) ma^*}[s] + | {tether(1) mb^*}[s] + | {tether(2) mc^*}[s] + | {tether(3) md^*}[s] ]] + +( walker() +| fuels() +) + \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.txt b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.txt new file mode 100644 index 0000000..bd80643 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 2Domain.txt @@ -0,0 +1,136 @@ +directive deterministic { stiff=true } +directive simulator deterministic +directive parameters [ + deg = 0.0008; cat = 0.0008; pol = 0.0167; nick = 0.0167; ann = 0.01; //0.01, 0.001 + bind = 5.4E-06; bind1 = 5E-05; unbind = 0.1126; bind2 = 0.001; //0.001, 5.4e-6 + Cmax = 1000 ; c = 0.0008; kt = 0.001; ku = 0.001; s = 2; x0 = 4; //4, 8 +] +directive declare +//directive simulation { final=10000; plots=[ X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() ] } +//directive simulation { final=500000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()] ] } +directive simulation { final=150000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()]; [L()]-[L'()] ] } + +//------------------ 2Domain DNA Strand Displacement ------------------ +directive compilation infinite + +new t@kt,unbind +new u@ku,unbind +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' new i + +def Signal((x,x')) = +def Degradation(k,(x,x')) = Cmax/k * {t^(c)*}[x] +def Annihilation((x,x')) = +( Cmax * {t^*}[x t^]:[x'] +| Cmax * {t^*}[x' t^]:[x] +| Cmax * +| Cmax * +) +def Catalysis(k,(x,x'),(y,y')) = +( Cmax*k * {t^(c)*}[x u^]:[y u^]:[i] +| Cmax*k * [i]:[t^ x]{u^*} +| Cmax*k * [i]:[t^ y]{u^*} +| Cmax*k * +| Cmax*k * +| Cmax*k * +) +def Signal'((x,x')) = Signal((x',x)) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) + +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') + +//------------------ Blocks -------------------------------- +def Catalysis2(k,x,y) = ( Catalysis(k,x,y) | Catalysis'(k,x,y) ) +def Catalysis2Inv(k,x,y) = ( CatalysisInv(k,x,y) | CatalysisInv'(k,x,y) ) +def Degradation2(k,x) = ( Degradation(k,x) | Degradation'(k,x) ) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = ( Catalysis2(k,x,y) | Degradation2(kD,y) ) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1,1,1,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1,1,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() -> {1.0} +) + +//------------------ Full system ---------------------------- +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1,1,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +def VarySignal() = ( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 ) +def VaryLoad() = ( 2*L() @ 50000 | L'() @ 100000 ) +def VaryLong() = +( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 +| 2*x0 * R'() @ 150000 | 2*x0 * R() @ 200000 +| 2*x0 * R'() @ 250000 | 2*x0 * R() @ 300000 +| 2*x0 * R'() @ 350000 | 2*x0 * R() @ 400000 +| 2*x0 * R'() @ 450000 +) + +//------------------ Tests ----------------------------------- +def TestAnnihilation() = ( 2*X() | X'()| Annihilation(x) ) +def TestCatalysis() = ( X() | 0*Y() | Catalysis(1,x,y) ) +def TestDegradation() = ( X() | 0*X'() | Degradation(1,x) ) +def TestGain() = ( X() | 0*Y() | 0*Y'() | Gain(1,2,x,y) | Annihilation(y) ) +def TestSummation() = ( 2*X() | E() | 0*V() | 0*V'() | Summation(1,1,1,x,e,v) | Annihilation(v) ) +def TestSummationInv() = ( 2*Y() | R() | 0*E() | 0*E'() | SummationInv(1,1,1,y,r,e) | Annihilation(e) ) + +//------------------ Run ------------------------------------- +(* +( System() | VarySignal() ) +( System() | VaryLoad() ) +( System() | VaryLong() ) +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) +( System() | VarySignal() ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.txt b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.txt new file mode 100644 index 0000000..c778564 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - 4Domain.txt @@ -0,0 +1,149 @@ +directive deterministic { stiff=true } +directive simulator deterministic +directive parameters [ + deg = 0.0008; cat = 0.0008; pol = 0.0167; nick = 0.0167; ann = 0.01; //0.01, 0.001 + bind = 5.4E-06; bind1 = 5E-05; unbind = 0.1126; bind2 = 0.001; //0.001, 5.4e-6 + Cmax = 1000 ; c = 0.0008; kt = 0.001; ku = 0.001; s = 2; x0 = 4; //4, 8 +] +directive declare +//directive simulation { final=10000; plots=[ X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() ] } +//directive simulation { final=500000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()] ] } +directive simulation { final=150000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()]; [L()]-[L'()] ] } + +//------------------ 4Domain DNA Strand Displacement ------------------ +directive compilation infinite + +dom x1 = {colour = "red"; bind = kt} dom x1' = {colour = "red"; bind = kt} +dom x3 = {colour = "red"; bind = kt} dom x3' = {colour = "red"; bind = kt} +dom r1 = {colour = "purple"; bind = kt} dom r1' = {colour = "purple"; bind = kt} +dom r3 = {colour = "purple"; bind = kt} dom r3' = {colour = "purple"; bind = kt} +dom e1 = {colour = "blue"; bind = kt} dom e1' = {colour = "blue"; bind = kt} +dom e3 = {colour = "blue"; bind = kt} dom e3' = {colour = "blue"; bind = kt} +dom v1 = {colour = "orange"; bind = kt} dom v1' = {colour = "orange"; bind = kt} +dom v3 = {colour = "orange"; bind = kt} dom v3' = {colour = "orange"; bind = kt} +dom y1 = {colour = "green"; bind = kt} dom y1' = {colour = "green"; bind = kt} +dom y3 = {colour = "green"; bind = kt} dom y3' = {colour = "green"; bind = kt} +dom load = {colour = "black"; bind = kt} dom load' = {colour = "black"; bind = kt} +dom load = {colour = "black"; bind = kt} dom load' = {colour = "black"; bind = kt} +dom t = {colour = "magenta"; bind = kt; unbind = unbind} + +new xh new x2 new xh' new x2' new vh new v2 new vh' new v2' new yh new y2 new yh' new y2' +new rh new r2 new rh' new r2' new eh new e2 new eh' new e2' + +def Signal0((xh,x1,x2,x3),x') = +def Degradation0(k,(xh,x1,x2,x3),x') = Cmax/k * {x1^(c)*}[x2 x3^] +def Annihilation0((xh,x1,x2,x3),(xh',x1',x2',x3')) = +( Cmax * {x1^*}[x2 x3^ x1'^]:[x2' x3'^] +| Cmax * +| Cmax * {x1'^*}[x2' x3'^ x1^]:[x2 x3^] +| Cmax * +) +def Catalysis0(k,(xh,x1,x2,x3),x',(yh,y1,y2,y3),y') = +( Cmax*k * {x1^(c)*}[x2 x3^] +| Cmax*k * {x3^*}[yh y1^]:[xh x1^] +) +def Signal((x,x')) = Signal0(x,x') +def Degradation(k,(x,x')) = Degradation0(k,x,x') +def Catalysis(k,(x,x'),(y,y')) = Catalysis0(k,x,x',y,y') +def Annihilation((x,x')) = Annihilation0(x,x') + +def Signal'((x,x')) = Signal((x',x)) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) + +def x = ((xh,x1,x2,x3),(xh',x1',x2',x3')) +def y = ((yh,y1,y2,y3),(yh',y1',y2',y3')) +def v = ((vh,v1,v2,v3),(vh',v1',v2',v3')) +def e = ((eh,e1,e2,e3),(eh',e1',e2',e3')) +def r = ((rh,r1,r2,r3),(rh',r1',r2',r3')) + +//------------------ Blocks -------------------------------- +def Catalysis2(k,x,y) = ( Catalysis(k,x,y) | Catalysis'(k,x,y) ) +def Catalysis2Inv(k,x,y) = ( CatalysisInv(k,x,y) | CatalysisInv'(k,x,y) ) +def Degradation2(k,x) = ( Degradation(k,x) | Degradation'(k,x) ) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = ( Catalysis2(k,x,y) | Degradation2(kD,y) ) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1,1,1,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1,1,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() -> {1.0} +) + +//------------------ Full system ---------------------------- +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1,1,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +def VarySignal() = ( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 ) +def VaryLoad() = ( 2*L() @ 50000 | L'() @ 100000 ) +def VaryLong() = +( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 +| 2*x0 * R'() @ 150000 | 2*x0 * R() @ 200000 +| 2*x0 * R'() @ 250000 | 2*x0 * R() @ 300000 +| 2*x0 * R'() @ 350000 | 2*x0 * R() @ 400000 +| 2*x0 * R'() @ 450000 +) + +//------------------ Tests ----------------------------------- +def TestAnnihilation() = ( 2*X() | X'()| Annihilation(x) ) +def TestCatalysis() = ( X() | 0*Y() | Catalysis(1,x,y) ) +def TestDegradation() = ( X() | 0*X'() | Degradation(1,x) ) +def TestGain() = ( X() | 0*Y() | 0*Y'() | Gain(1,2,x,y) | Annihilation(y) ) +def TestSummation() = ( 2*X() | E() | 0*V() | 0*V'() | Summation(1,1,1,x,e,v) | Annihilation(v) ) +def TestSummationInv() = ( 2*Y() | R() | 0*E() | 0*E'() | SummationInv(1,1,1,y,r,e) | Annihilation(e) ) + +//------------------ Run ------------------------------------- +(* +( System() | VarySignal() ) +( System() | VaryLoad() ) +( System() | VaryLong() ) +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) +( System() | VarySignal() ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.txt b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.txt new file mode 100644 index 0000000..8159aef --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - CRN.txt @@ -0,0 +1,143 @@ +directive deterministic { stiff=true } +directive simulator deterministic +directive parameters [ + deg = 0.0008; cat = 0.0008; pol = 0.0167; nick = 0.0167; ann = 0.01; //0.01, 0.001 + bind = 5.4E-06; bind1 = 5E-05; unbind = 0.1126; bind2 = 0.001; //0.001, 5.4e-6 + Cmax = 1000 ; c = 0.0008; kt = 0.001; ku = 0.001; s = 2; x0 = 4; //4, 8 +] +directive declare +//directive simulation { final=10000; plots=[ X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() ] } +//directive simulation { final=500000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()] ] } +directive simulation { final=150000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()]; [L()]-[L'()] ] } + +//------------------ CRN ------------------ + +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' +def Signal((x,x')) = +def Signal'((x,x')) = Signal((x',x)) +def Degradation(k,x) = ( rxn Signal(x) ->{deg/k} ) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis(k,x,y) = ( rxn Signal(x) ->{cat*k} Signal(x) + Signal(y) ) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) +def Annihilation(x) = ( rxn Signal(x) + Signal'(x) ->{ann} ) +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') + +//--------- CRN [Catalytic Degradation] ---------- +(* +directive sweep s1 = {ann = [0.1,0.01,0.001,0.0001]} +new x new x' new v new v' new y new y' new r new r' +new e new e' new load new load' +def Signal((x,x')) = +def Signal'((x,x')) = Signal((x',x)) +def DegradationIdeal(k,x) = rxn Signal(x) ->{deg/k} +def Degradation(k,x) = + ( rxn Signal(x) ->{deg/k} Signal(x) + Signal'(x) + | rxn Signal(x) + Signal'(x) ->{ann}) +def Degradation'(k,(x,x')) = Degradation(k,(x',x)) +def Catalysis(k,x,y) = ( rxn Signal(x) ->{cat*k} Signal(x) + Signal(y) ) +def Catalysis'(k,(x,x'),(y,y')) = Catalysis(k,(x',x),(y',y)) +def CatalysisInv(k,x,(y,y')) = Catalysis(k,x,(y',y)) +def CatalysisInv'(k,(x,x'),y) = Catalysis(k,(x',x),y) +def Annihilation(x) = ( rxn Signal(x) + Signal'(x) ->{ann} ) +def x = (x,x') +def y = (y,y') +def v = (v,v') +def e = (e,e') +def r = (r,r') +*) + +//------------------ Blocks -------------------------------- +def Catalysis2(k,x,y) = ( Catalysis(k,x,y) | Catalysis'(k,x,y) ) +def Catalysis2Inv(k,x,y) = ( CatalysisInv(k,x,y) | CatalysisInv'(k,x,y) ) +def Degradation2(k,x) = ( Degradation(k,x) | Degradation'(k,x) ) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = ( Catalysis2(k,x,y) | Degradation2(kD,y) ) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1,1,1,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1,1,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() -> {1.0} +) + +//------------------ Full system ---------------------------- +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1,1,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +def VarySignal() = ( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 ) +def VaryLoad() = ( 2*L() @ 50000 | L'() @ 100000 ) +def VaryLong() = +( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 +| 2*x0 * R'() @ 150000 | 2*x0 * R() @ 200000 +| 2*x0 * R'() @ 250000 | 2*x0 * R() @ 300000 +| 2*x0 * R'() @ 350000 | 2*x0 * R() @ 400000 +| 2*x0 * R'() @ 450000 +) + +//------------------ Tests ----------------------------------- +def TestAnnihilation() = ( 2*X() | X'()| Annihilation(x) ) +def TestCatalysis() = ( X() | 0*Y() | Catalysis(1,x,y) ) +def TestDegradation() = ( X() | 0*X'() | Degradation(1,x) ) +def TestGain() = ( X() | 0*Y() | 0*Y'() | Gain(1,2,x,y) | Annihilation(y) ) +def TestSummation() = ( 2*X() | E() | 0*V() | 0*V'() | Summation(1,1,1,x,e,v) | Annihilation(v) ) +def TestSummationInv() = ( 2*Y() | R() | 0*E() | 0*E'() | SummationInv(1,1,1,y,r,e) | Annihilation(e) ) + +//------------------ Run ------------------------------------- +(* +( System() | VarySignal() ) +( System() | VaryLoad() ) +( System() | VaryLong() ) +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) +( System() | VarySignal() ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.txt b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.txt new file mode 100644 index 0000000..e3805e5 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - DNA Enzymes.txt @@ -0,0 +1,170 @@ +directive deterministic { stiff=true } +directive simulator deterministic +directive parameters [ + deg = 0.0008; cat = 0.0008; pol = 0.0167; nick = 0.0167; ann = 0.01; //0.01, 0.001 + bind = 5.4E-06; bind1 = 5E-05; unbind = 0.1126; bind2 = 0.001; //0.001, 5.4e-6 + Cmax = 1000 ; c = 0.0008; kt = 0.001; ku = 0.001; s = 2; x0 = 4; //4, 8 +] +directive declare +//directive simulation { final=10000; plots=[ X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() ] } +//directive simulation { final=500000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()] ] } +directive simulation { final=150000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()]; [L()]-[L'()] ] } + +//------------------ DNA Enzymes ------------------ +directive compilation default +directive unproductive + +dom x1 = {colour = "red"; bind = bind; unbind = unbind} +dom x2 = {colour = "red"; bind = bind; unbind = unbind} +dom r1 = {colour = "purple"; bind = bind; unbind = unbind} +dom r2 = {colour = "purple"; bind = bind; unbind = unbind} +dom e1 = {colour = "blue"; bind = bind; unbind = unbind} +dom e2 = {colour = "blue"; bind = bind; unbind = unbind} +dom v1 = {colour = "orange"; bind = bind; unbind = unbind} +dom v2 = {colour = "orange"; bind = bind; unbind = unbind} +dom y1 = {colour = "green"; bind = bind; unbind = unbind} +dom y2 = {colour = "green"; bind = bind; unbind = unbind} +dom load = {colour = "black"} +dom load' = {colour = "black"} +dom dx = {bind = ann; subdomains = [x1;x2]} +dom dr = {bind = ann; subdomains = [r1;r2]} +dom de = {bind = ann; subdomains = [e1;e2]} +dom dv = {bind = ann; subdomains = [v1;v2]} +dom dy = {bind = ann; subdomains = [y1;y2]} + +def Signal((x1,x2)) = +def Signal'((x1,x2)) = +def Template((x1,x2),(y1,y2)) = [x2^]:[y1^ y2^] +def Template'((x1,x2),(y1,y2)) = [x1^*]:[y2^* y1^*] +def TemplateOff((x1,x2),(y1,y2)) = {x2^*}[y1^ y2^] +def TemplateOff'((x1,x2),(y1,y2)) = {x1^}[y2^* y1^*] +def TemplateDS((x1,x2),(y1,y2)) = [x2^ y1^ y2^] +def TemplateDS'((x1,x2),(y1,y2)) = [x1^* y2^* y1^*] +def TemplateOffInv((x1,x2),(y1,y2)) = {x2^*}[y2^* y1^*] +def TemplateOffInv'((x1,x2),(y1,y2)) = {x1^}[y1^ y2^] +def TemplateInv((x1,x2),(y1,y2)) = [x2^]:[y2^* y1^*] +def TemplateInv'((x1,x2),(y1,y2)) = [x1^*]:[y1^ y2^] +def TemplateDSInv((x1,x2),(y1,y2)) = [x2^ y2^* y1^*] +def TemplateDSInv'((x1,x2),(y1,y2)) = [x1^* y1^ y2^] +def Ann((x1,x2)) = [x1^ x2^] + +def r = (r1,r2) +def e = (e1,e2) +def v = (v1,v2) +def y = (y1,y2) +def x = (x1,x2) + +def Catalysis(k,x,y) = +( Cmax*k * TemplateOff(x,y) +| rxn Template(x,y) ->{pol} TemplateDS(x,y) + Signal(y) +| rxn TemplateDS(x,y) ->{nick} Template(x,y) +| 0 * Template(x,y) | 0 * TemplateDS(x,y) +) +def Catalysis'(k,x,y) = +( Cmax*k * TemplateOff'(x,y) +| rxn Template'(x,y) ->{pol} TemplateDS'(x,y) + Signal'(y) +| rxn TemplateDS'(x,y) ->{nick} Template'(x,y) +) +def CatalysisInv(k,x,y) = +( Cmax*k * TemplateOffInv(x,y) +| rxn TemplateInv(x,y) ->{pol} TemplateDSInv(x,y) + Signal'(y) +| rxn TemplateDSInv(x,y) ->{nick} TemplateInv(x,y) +| 0 * TemplateInv(x,y) | 0 * TemplateDSInv(x,y) +) +def CatalysisInv'(k,x,y) = +( Cmax*k * TemplateOffInv'(x,y) +| rxn TemplateInv'(x,y) ->{pol} TemplateDSInv'(x,y) + Signal(y) +| rxn TemplateDSInv'(x,y) ->{nick} TemplateInv'(x,y) +) +def Annihilation(x) = 0*Ann(x) +def Degradation(k,x) = CatalysisInv(1.0/k,x,x) +def Degradation'(k,x) = CatalysisInv'(1.0/k,x,x) + +//------------------ Blocks -------------------------------- +def Catalysis2(k,x,y) = ( Catalysis(k,x,y) | Catalysis'(k,x,y) ) +def Catalysis2Inv(k,x,y) = ( CatalysisInv(k,x,y) | CatalysisInv'(k,x,y) ) +def Degradation2(k,x) = ( Degradation(k,x) | Degradation'(k,x) ) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = ( Catalysis2(k,x,y) | Degradation2(kD,y) ) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1,1,1,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1,1,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() -> {1.0} +) + +//------------------ Full system ---------------------------- +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1,1,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +def VarySignal() = ( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 ) +def VaryLoad() = ( 2*L() @ 50000 | L'() @ 100000 ) +def VaryLong() = +( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 +| 2*x0 * R'() @ 150000 | 2*x0 * R() @ 200000 +| 2*x0 * R'() @ 250000 | 2*x0 * R() @ 300000 +| 2*x0 * R'() @ 350000 | 2*x0 * R() @ 400000 +| 2*x0 * R'() @ 450000 +) + +//------------------ Tests ----------------------------------- +def TestAnnihilation() = ( 2*X() | X'()| Annihilation(x) ) +def TestCatalysis() = ( X() | 0*Y() | Catalysis(1,x,y) ) +def TestDegradation() = ( X() | 0*X'() | Degradation(1,x) ) +def TestGain() = ( X() | 0*Y() | 0*Y'() | Gain(1,2,x,y) | Annihilation(y) ) +def TestSummation() = ( 2*X() | E() | 0*V() | 0*V'() | Summation(1,1,1,x,e,v) | Annihilation(v) ) +def TestSummationInv() = ( 2*Y() | R() | 0*E() | 0*E'() | SummationInv(1,1,1,y,r,e) | Annihilation(e) ) + +//------------------ Run ------------------------------------- +(* +( System() | VarySignal() ) +( System() | VaryLoad() ) +( System() | VaryLong() ) +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) +( System() | VarySignal() ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.txt b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.txt new file mode 100644 index 0000000..f2bbdeb --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Yordanov et al., ACS Synth Biol 2014 - PI Controller - RNA Enzymes.txt @@ -0,0 +1,188 @@ +directive deterministic { stiff=true } +directive simulator deterministic +directive parameters [ + deg = 0.0008; cat = 0.0008; pol = 0.0167; nick = 0.0167; ann = 0.01; //0.01, 0.001 + bind = 5.4E-06; bind1 = 5E-05; unbind = 0.1126; bind2 = 0.001; //0.001, 5.4e-6 + Cmax = 1000 ; c = 0.0008; kt = 0.001; ku = 0.001; s = 2; x0 = 4; //4, 8 +] +directive declare +//directive simulation { final=10000; plots=[ X(); X'(); Y(); Y'(); R(); E(); E'(); V(); V'() ] } +//directive simulation { final=500000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()] ] } +directive simulation { final=150000; plots=[ [R()]-[R'()]; [V()]-[V'()]; [Y()]-[Y'()]; [L()]-[L'()] ] } + +//------------------ RNA Enzymes ------------------ +directive compilation infinite +def kbind = bind1 +dom x1 = {colour = "red"; bind = kbind; unbind = unbind} +dom x2 = {colour = "red"; bind = kbind; unbind = unbind} +dom r1 = {colour = "purple"; bind = kbind; unbind = unbind} +dom r2 = {colour = "purple"; bind = kbind; unbind = unbind} +dom e1 = {colour = "blue"; bind = kbind; unbind = unbind} +dom e2 = {colour = "blue"; bind = kbind; unbind = unbind} +dom v1 = {colour = "orange"; bind = kbind; unbind = unbind} +dom v2 = {colour = "orange"; bind = kbind; unbind = unbind} +dom y1 = {colour = "green"; bind = kbind; unbind = unbind} +dom y2 = {colour = "green"; bind = kbind; unbind = unbind} +dom t = {colour = "cyan"; bind = bind2; unbind = unbind} +dom u = {colour = "magenta"; bind = bind2; unbind = unbind} +dom rh = {colour = "brown"} +dom eh = {colour = "brown"} +dom vh = {colour = "brown"} +dom xh = {colour = "brown"} +dom yh = {colour = "brown"} +dom dx = {bind = ann; subdomains = [x1;x2]} +dom dr = {bind = ann; subdomains = [r1;r2]} +dom de = {bind = ann; subdomains = [e1;e2]} +dom dv = {bind = ann; subdomains = [v1;v2]} +dom dy = {bind = ann; subdomains = [y1;y2]} + +new rs new rs' new es new es' new vs new vs' +new xs new xs' new ys new ys' new load new load' new prom + +def Signal((x1,x2,xs,xs',xh)) = +def Signal'((x1,x2,xs,xs',xh)) = +def Template((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs* t^*]::[prom ys y1^ y2^ yh] +def Template'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs'* t^*]::[prom ys' y2^* y1^* yh] +def TemplateOff((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs*]::[prom ys y1^ y2^ yh] +def TemplateOff'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs'*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs*]::[prom ys' y2^* y1^* yh] +def TemplateOffInv'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [u^* xs'*]::[prom ys y1^ y2^ yh] +def TemplateInv((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs* t^*]::[prom ys' y2^* y1^* yh] +def TemplateInv'((x1,x2,xs,xs',xh),(y1,y2,ys,ys',yh)) = [xs'* t^*]::[prom ys y1^ y2^ yh] +def Transducer((x1,x2,xs,xs',xh)) = [t^ xs]{x1^*} +def Transducer'((x1,x2,xs,xs',xh)) = [t^ xs']{x2^} +def TransducerRev((x1,x2,xs,xs',xh)) = {t^*}[xs x1^] +def TransducerRev'((x1,x2,xs,xs',xh)) = {t^*}[xs' x2^*] +def Rev((x1,x2,xs,xs',xh)) = +def Rev'((x1,x2,xs,xs',xh)) = +def Fwd(t,(x1,x2,xs,xs',xh)) = +def Fwd'(t,(x1,x2,xs,xs',xh)) = +def Ann((x1,x2,xs,xs',xh)) = {xh}[x1^ x2^]{xs'} + +def r = (r1,r2,rs,rs',rh) +def e = (e1,e2,es,es',eh) +def v = (v1,v2,vs,vs',vh) +def y = (y1,y2,ys,ys',yh) +def x = (x1,x2,xs,xs',xh) + +def Catalysis(k,x,y) = +( Cmax*k * TemplateOff(x,y) +| Cmax*k * Transducer(x) +| Cmax*k * TransducerRev(x) +| Cmax*k * Rev(x) +| rxn Template(x,y) ->{pol} Template(x,y) + Signal(y) +| 0 * Template(x,y) | 0* Fwd(t,x) +) +def Catalysis'(k,x,y) = +( Cmax*k * TemplateOff'(x,y) +| Cmax*k * Transducer'(x) +| Cmax*k * TransducerRev'(x) +| Cmax*k * Rev'(x) +| rxn Template'(x,y) ->{pol} Template'(x,y) + Signal'(y) +) +def CatalysisInv(k,x,y) = +( Cmax*k * TemplateOffInv(x,y) +| Cmax*k * Transducer(x) +| Cmax*k * TransducerRev(x) +| Cmax*k * Rev(x) +| rxn TemplateInv(x,y) ->{pol} TemplateInv(x,y) + Signal'(y) +) +def CatalysisInv'(k,x,y) = +( Cmax*k * TemplateOffInv'(x,y) +| Cmax*k * Transducer'(x) +| Cmax*k * TransducerRev'(x) +| Cmax*k * Rev'(x) +| rxn TemplateInv'(x,y) ->{pol} TemplateInv'(x,y) + Signal(y) +) +def Degradation(k,x) = ( rxn Signal(x) ->{deg/k} ) +def Degradation'(k,x) = ( rxn Signal'(x) ->{deg/k} ) +def Annihilation(x) = 0*Ann(x) + +//------------------ Blocks -------------------------------- +def Catalysis2(k,x,y) = ( Catalysis(k,x,y) | Catalysis'(k,x,y) ) +def Catalysis2Inv(k,x,y) = ( CatalysisInv(k,x,y) | CatalysisInv'(k,x,y) ) +def Degradation2(k,x) = ( Degradation(k,x) | Degradation'(k,x) ) +def Integration(kI,x,y) = Catalysis2(kI,x,y) +def Gain(k,kD,x,y) = ( Catalysis2(k,x,y) | Degradation2(kD,y) ) +def Summation(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2(k2,x2,y) +| Degradation2(kD,y) +) +def SummationInv(k1,k2,kD,x1,x2,y) = +( Catalysis2(k1,x1,y) +| Catalysis2Inv(k2,x2,y) +| Degradation2(kD,y) +) +def PI(kP,kI, r, y, v,e) = +( SummationInv(1,1,1,r,y,e) +| Integration(kI,e,x) +| Summation(kP,1,1,e,x,v) +| Annihilation(x) +) +def R() = Signal(r) +def R'() = Signal'(r) +def E() = Signal(e) +def E'() = Signal'(e) +def V() = Signal(v) +def V'() = Signal'(v) +def Y() = Signal(y) +def Y'() = Signal'(y) +def X() = Signal(x) +def X'() = Signal'(x) +def L() = +def L'() = +def Plant(v, y) = +( rxn Signal(v) ->{0.2} Signal(v) + Signal(y) +| rxn Signal'(v) ->{0.2} Signal'(v) + Signal'(y) +| rxn Signal(y) ->{0.1} +| rxn Signal'(y) ->{0.1} +| rxn Signal'(y) + Signal(y) ->{0.1} +| rxn L() + Signal(y) ->{0.01} L() +| rxn L'() + Signal'(y) ->{0.01} L'() +| rxn L() + L'() -> {1.0} +) + +//------------------ Full system ---------------------------- +def System() = +( 0 * V() | 0 * V'() +| 0 * Y() | 0 * Y'() +| 0 * L() | 0 * L'() +| x0* R() | 0 * R'() +| PI(1,1,r,y,v,e) +| Plant(v,y) +| Annihilation(r) +| Annihilation(v) +| Annihilation(e) +) +def VarySignal() = ( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 ) +def VaryLoad() = ( 2*L() @ 50000 | L'() @ 100000 ) +def VaryLong() = +( 2*x0 * R'() @ 50000 | 2*x0 * R() @ 100000 +| 2*x0 * R'() @ 150000 | 2*x0 * R() @ 200000 +| 2*x0 * R'() @ 250000 | 2*x0 * R() @ 300000 +| 2*x0 * R'() @ 350000 | 2*x0 * R() @ 400000 +| 2*x0 * R'() @ 450000 +) + +//------------------ Tests ----------------------------------- +def TestAnnihilation() = ( 2*X() | X'()| Annihilation(x) ) +def TestCatalysis() = ( X() | 0*Y() | Catalysis(1,x,y) ) +def TestDegradation() = ( X() | 0*X'() | Degradation(1,x) ) +def TestGain() = ( X() | 0*Y() | 0*Y'() | Gain(1,2,x,y) | Annihilation(y) ) +def TestSummation() = ( 2*X() | E() | 0*V() | 0*V'() | Summation(1,1,1,x,e,v) | Annihilation(v) ) +def TestSummationInv() = ( 2*Y() | R() | 0*E() | 0*E'() | SummationInv(1,1,1,y,r,e) | Annihilation(e) ) + +//------------------ Run ------------------------------------- +(* +( System() | VarySignal() ) +( System() | VaryLoad() ) +( System() | VaryLong() ) +TestAnnihilation() +TestCatalysis() +TestDegradation() +TestGain() +TestSummation() +TestSummationInv() +*) +( System() | VarySignal() ) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - And Gate.txt b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - And Gate.txt new file mode 100644 index 0000000..3f7323b --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - And Gate.txt @@ -0,0 +1,29 @@ +directive simulation {initial=0; final=1000; points=1000; plots=[; Gate()]} +dom S1 = {seq = CTTTCCTACA} +dom S2a = {seq = CCTACG} +dom S2b = {seq = TCTCCA; bind = 0.00042; unbind = 0.04} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4a = {seq = CATTCAATAC} +dom S4b = {seq = CCTACG} +dom S5 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S6 = {seq = CCACATACATCATATT} +dom S7 = {seq = TACTTATTAGCC} +dom S8 = {seq = GACA; bind = 0.0005; unbind = 0.00019} +dom S9a = {seq = CTACTTTCAC} +dom S9b = {seq = CCTACG} +dom S10 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S31 = {seq = CACACA} +dom S32 = {seq = ACTTCAGTCATTAAGC} +dom S33 = {seq = AGAC} +dom S34 = {seq = CCATACAAGTATCA} +def FuelOne() = +def FuelTwo() = +def Gate() = {S31^*}[S32 S33^]:[S34 S1]::[S2a S2b^ S2c^]:[S3^ S4a S4b^]{S5^*} +def AndGate(N) = + (( N * Gate() + | N * + | N * + | N * FuelOne() + | N * FuelTwo())) +AndGate(10.0) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Autocatalytic.txt b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Autocatalytic.txt new file mode 100644 index 0000000..03b5842 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Autocatalytic.txt @@ -0,0 +1,23 @@ +directive simulation {initial=0; final=1000; points=100; plots=[Fuel(); Autocatalyst(); ]} +directive stochastic {scale = 500.000000; trajectories = 1} +directive polymers +dom S1 = {seq = CTTTCCTACA} +dom S2a = {seq = CCTACG} +dom S2b = {seq = TCTCCA} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4a = {seq = CATTCAATAC} +dom S4b = {seq = CCTACG} +dom S5 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S6 = {seq = CCACATACATCATATT} +def Fuel() = +def Autocatalyst() = +def Substrate() = [S4b^ S2b^ S2c]:[S3^ S4a^ S4b^]{S2b^*} +def Autocatalytic(N) = + (( N * Fuel() + | N * Autocatalyst() + | N * Substrate())) +def FluorescingAutocatalytic(N) = + (( Autocatalytic(N) + | N * [S6 S3^]{S4a^* S4b^*})) +FluorescingAutocatalytic(100.0) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Cross Catalytic.txt b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Cross Catalytic.txt new file mode 100644 index 0000000..f8d96f5 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Cross Catalytic.txt @@ -0,0 +1,27 @@ +directive simulation {initial=0; final=1000; points=1000; plots=[catalyst0(); catalyst1(); ]} +dom S1 = {seq = CTTTCCTACA} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4a = {seq = CATTCAATAC} +dom S6 = {seq = CCACATACATCATATT} +dom S7 = {seq = TACTTATTAGCC} +dom S8 = {seq = GACA; bind = 0.0005; unbind = 0.00019} +dom S9a = {seq = CTACTTTCAC} +dom x = {seq = CCTACG} +dom y = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +def Fuel0() = +def Substrate0() = [x^ y^ S7]:[S8^ S9a x^]{y^*} +def Fuel1() = +def Substrate1() = [x^ y^ S2c]:[S3^ S4a^ x^]{y^*} +def catalyst0() = +def catalyst1() = +def crosscatalytic(N, M) = + (( N * Fuel0() + | N * Substrate0() + | N * Fuel1() + | N * Substrate1() + | M * catalyst0() + | M * catalyst1())) +def reporter(N) = N * [S6 S3^]{S4a^*} +( crosscatalytic(10.0,5.0) +| reporter(10.0)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Feed forward.txt b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Feed forward.txt new file mode 100644 index 0000000..5779abf --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Feed forward.txt @@ -0,0 +1,30 @@ +directive simulation {initial=0; final=1000; points=1000; plots=[F0(); F1(); ]} +dom S1 = {seq = CTTTCCTACA} +dom S2a = {seq = CCTACG} +dom S2b = {seq = TCTCCA; bind = 0.00042; unbind = 0.04} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4a = {seq = CATTCAATAC} +dom S4b = {seq = CCTACG} +dom S5 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S6 = {seq = CCACATACATCATATT} +dom S7 = {seq = TACTTATTAGCC} +dom S8 = {seq = GACA; bind = 0.0005; unbind = 0.00019} +dom S9a = {seq = CTACTTTCAC} +dom S9b = {seq = CCTACG} +dom S10 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +def F0() = +def F1() = +def OBSB0() = [S4b^ S5^ S7]:[S8^ S9a S9b^]{S10^*} +def C0() = +def OBSB1() = [S2a S2b^ S2c]:[S3^ S4a S4b^]{S5^*} +def Feedforward(N) = + (( N * F0() + | N * OBSB0() + | N * C0() + | N * F1() + | N * OBSB1())) +def FluorescingFeedforward(N) = + (( Feedforward(N) + | N * [S1 S2a]{S2b^*})) +FluorescingFeedforward(100.0) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Fluorescent Catalytic.txt b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Fluorescent Catalytic.txt new file mode 100644 index 0000000..1a2dc7b --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Fluorescent Catalytic.txt @@ -0,0 +1,23 @@ +directive simulation {initial=0; final=7000; points=1000; plots=[Fuel _; Reporter(); ]} +directive stochastic {scale = 500.000000; trajectories = 1} +dom S1 = {seq = CTTTCCTACA} +dom S2a = {seq = CCTACG} +dom S2b = {seq = TCTCCA} +dom S2c = {seq = ACTAACTTACGG} +dom S3 = {seq = CCCT; bind = 0.00042; unbind = 0.04} +dom S4 = {seq = CATTCAATACCCTACG} +dom S5 = {seq = TCTCCA; bind = 0.00065; unbind = 0.004} +dom S6 = {seq = CCACATACATCATATT} +def S2 = (S2a,S2b,S2c) +def Fuel((ta, tb, tc)) = +def Substrate(o, (ta, tb, tc), s, t, r, f) = [ta tb^ tc]:[t^ r]{f^*} +def Catalyst() = +def Reporter() = [S1 S2a]{S2b^*} +def Catalytic(N) = + (( (N + 5.0) * Fuel(S2) + | N * Substrate(S1,S2,S6,S3,S4,S5) + | N * Catalyst())) +def FluoresingCatalytic(N) = + (( Catalytic(N) + | N * Reporter())) +FluoresingCatalytic(10.0) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Independent Input.txt b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Independent Input.txt new file mode 100644 index 0000000..fb7a811 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/Zhang, Science 2007 - Independent Input.txt @@ -0,0 +1,13 @@ +directive simulation {initial=0; final=1000; points=1000; plots=[; fuel _]} +dom S11 = {seq = ACCTAATAGC} +dom S12 = {seq = ACCACATCAA} +dom S13 = {seq = TCTCGATCCAGTAC} +dom S14 = {seq = ACCT} +dom S15 = {seq = CTTCACGAACATTTCA} +dom S16 = {seq = TAGCCA} +def catalyst(N) = N * +def fuel(N) = N * +def substrate(N) = N * [S12^]:[S13 S14^]{S15^*} +( fuel(100.0) +| substrate(100.0) +| catalyst(10.0)) \ No newline at end of file diff --git a/ClassicDSD/Examples/DSDModels/test_many_simulations.txt b/ClassicDSD/Examples/DSDModels/test_many_simulations.txt new file mode 100644 index 0000000..0e96d29 --- /dev/null +++ b/ClassicDSD/Examples/DSDModels/test_many_simulations.txt @@ -0,0 +1,419 @@ +directive compilation infinite // detailed, infinite +directive declare +directive units {time=h; concentration=nM} +directive simulator deterministic //deterministic, sundials +directive deterministic { reltolerance = 1e-8; stiff = true } +directive inference { burnin=5; samples=10; thin=2; partial=true } + +directive sweeps [ + Rep_rxyu1 = [ N = [0.2;0.4;0.6;0.8]; runRep_rxyu1 = [1] ]; + JoinBX_AddB = [ N = [0.0;0.2;0.4;0.6]; runJoinBX_AddB = [1] ]; + Fork2X_AddR = [ N = [0.0;0.2;0.4;0.6]; runFork2X_AddR = [1] ]; + BX2X = [ N = [0.0;0.1;0.3;1.0]; runBX2X = [1] ]; + AM80_87 = [ (Nx,Ny) = [(0.8,0.2);(0.2,0.8);(0.7,0.3);(0.3,0.7)]; runAM = [1] ]; +] +directive simulation {sweeps = [Rep_rxyu1]; data = [Rep_rxyu1]; plots = []; final = 9.9; prune = true } +directive data [ + Rep_rxyu1; + JoinBX_AddB; + Fork2X_AddR; + BX2X; AM80_87 +] + +directive simulations [ + Rep_rxyu1 = {sweeps = [Rep_rxyu1]; data = [Rep_rxyu1]; plots = []; final = 9.9; prune = true }; + JoinBX_AddB = {sweeps = [JoinBX_AddB]; data = [JoinBX_AddB]; plots = []; final = 7.1; prune = true }; + Fork2X_AddR = {sweeps = [Fork2X_AddR]; data = [Fork2X_AddR]; plots = []; final = 14.9; prune = true }; + BX2X = {sweeps = [BX2X]; data = [BX2X]; plots = []; final = 18.9; prune = true }; //19.0 + AM80_87 = {sweeps = [AM80_87]; data = [AM80_87]; plots = [;;]; final = 15.0; prune = true }; +] + +directive parameters [ + kt = 2.39907822407132, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + +(* Unique context *) + mRepJoinBX = 0.330409478372343, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepJoinBY = 0.195022555302614, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepJoinXY = 0.28792982640174, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepB = 0.936212548050403, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepX = 1.89623194461531, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepFork2B = 0.705992340255082, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepFork2X = 2.33651032891356, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + mRepFork2Y = 0.390195181800155, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + t0Rep_rxyu1 = 0.107939489147304, {distribution = Uniform(0.0833, 0.16211); variation = Fixed}; + t0Rep_rbxu1 = 0.113303470294027, {distribution = Uniform(0.0833, 0.15467); variation = Fixed}; + t0Rep_rbyu1 = 0.111461253376227, {distribution = Uniform(0.0833, 0.16094); variation = Fixed}; + t0Rep_u3pb = 0.0836562120255087, {distribution = Uniform(0.0833, 0.15131); variation = Fixed}; + t0Rep_u3px = 0.0877810388094365, {distribution = Uniform(0.0833, 0.156); variation = Fixed}; + t0Rep_u3py = 0.0834781314697647, {distribution = Uniform(0.0833, 0.15036); variation = Fixed}; + t0Rep_tb = 0.0942529381496787, {distribution = Uniform(0.0833, 0.14628); variation = Fixed}; + t0Rep_tx = 0.105530280335228, {distribution = Uniform(0.0833, 0.13692); variation = Fixed}; + + leakBX2X_J = 0.0, {distribution = Uniform(0.0, 0.3); interval = Real}; + leakBY2Y_J = 0.0, {distribution = Uniform(0.0, 0.3); interval = Real}; + + kJ1 = 0.0204964555980685, {distribution = Uniform(0.01, 100.0)}; + kJ1r = 0.585039224523331, {distribution = Uniform(0.01, 100.0)}; + kJ2 = 1.42853444981608, {distribution = Uniform(0.01, 100.0)}; + kJ2r = 0.237572367092801, {distribution = Uniform(0.01, 100.0)}; + kJ3 = 1.48828869653376, {distribution = Uniform(0.01, 100.0)}; + kJ3r = 0.0196729632011412, {distribution = Uniform(0.01, 100.0)}; + kF1 = 0.079210535760631, {distribution = Uniform(0.01, 100.0)}; + kF1r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0)}; + kF2 = 0.0788609544911219, {distribution = Uniform(0.01, 100.0)}; + kF2r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + kF3 = 0.102518024423917, {distribution = Uniform(0.01, 100.0)}; + kF3r = 0.0651919573526697, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + kF4 = 0.102518024423917, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + kF5 = 0.102518024423917, {distribution = Uniform(0.01, 100.0); variation = Fixed}; + kF2Y1 = 0.0137493238867182, {distribution = Uniform(0.01, 100.0)}; + + kl = 2.51055199657701E-05, {distribution = Uniform(1.0E-8, 1.0E-3); variation = Fixed}; + + (* Separate rate per fluorophore + mRepJoin =75892.794458, {distribution = Uniform(10.0,10000000.0)}; + *) + + (* Detailed model + ku1 = 1.0, {distribution = Uniform(0.01,100.0)}; + ku2 = 1.0, {distribution = Uniform(0.01,100.0)}; + ku3 = 1.0, {distribution = Uniform(0.01,100.0)}; + ut = 100.0, {distribution = Uniform(100.0,10000.0)}; + uu1 = 100.0, {distribution = Uniform(100.0,10000.0)}; + uu2 = 100.0, {distribution = Uniform(100.0,10000.0)}; + uu3 = 100.0, {distribution = Uniform(100.0,10000.0)}; + *) + + (* Concentrations *) + X = 50.0; NG = 75.0; NH = 100.0; NR = 150.0; (* Default *) + Xv = 40.0; NGv = 120.0; NHv = 120.0; NRv = 120.0; (* Reversibles *) + Xh = 10.0; NGh = 15.0; NHh = 20.0; NRh = 30.0; (* Halves *) + Xi = 10.0; NGi = 30.0; NHi = 30.0; NRi = 30.0; NMi = 100.0; (* Intermediates *) + Xr = 4.0; NRr = 12.0; (* Reporters *) + (*Xm = 40.0; NGm = 80.0; NHm = 80.0; NRm = 120.0; *) + Xm = 80.0; NGm = 160.0; NHm = 160.0; NRm = 240.0; (* Consensus *) + N = 0.0; Nx = 0.0; Ny = 0.0; + + (* Run variables *) + runRep_rxyu1 = 0.0; runRep_rbxu1 = 0.0; runRep_rbyu1 = 0.0; + runRep_u3pb = 0.0; runRep_u3px = 0.0; runRep_u3py = 0.0; + runRep_tb = 0.0; runRep_tx = 0.0; tend = 2.0; + runJoinBX_AddB = 0.0; runJoinBX_AddX = 0.0; runJoinBX_AddH = 0.0; + runJoinBY_AddB = 0.0; runJoinBY_AddY = 0.0; runJoinBY_AddH = 0.0; + runJoinXY_AddX = 0.0; runJoinXY_AddY = 0.0; runJoinXY_AddH = 0.0; + runFork2B_AddR = 0.0; runFork2B_AddH1 = 0.0; runFork2B_AddH2 = 0.0; + runFork2X_AddR = 0.0; runFork2X_AddH1 = 0.0; runFork2X_AddH2 = 0.0; + runFork2Y_AddR = 0.0; runFork2Y_AddH1 = 0.0; runFork2Y_AddH2 = 0.0; + runJoinBX_AddRev1 = 0.0; runJoinBX_AddRev2 = 0.0; runJoinBX_AddRev3 = 0.0; + runJoinBY_AddRev1 = 0.0; runJoinBY_AddRev2 = 0.0; runJoinBY_AddRev3 = 0.0; + runJoinXY_AddRev1 = 0.0; runJoinXY_AddRev2 = 0.0; runJoinXY_AddRev3 = 0.0; + runXY2B = 0.0; runBX2X = 0.0; runBY2Y = 0.0; runAM = 0.0; +] + +(* Trying to constrain the fork rates *) +def kF2r = kF1r +def kF3r = kF1r +def kF4 = kF3 +def kF5 = kF3 + +def kJBX1 = kJ1 def kJBX1r = kJ1r def kJBX2 = kJ2 def kJBX2r = kJ2r def kJBX3 = kJ3 def kJBX3r = kJ3r +def kJBY1 = kJ1 def kJBY1r = kJ1r def kJBY2 = kJ2 def kJBY2r = kJ2r def kJBY3 = kJ3 def kJBY3r = kJ3r +def kJXY1 = kJ1 def kJXY1r = kJ1r def kJXY2 = kJ2 def kJXY2r = kJ2r def kJXY3 = kJ3 def kJXY3r = kJ3r +def kF2B1 = kF1 def kF2B1r = kF1r def kF2B2 = kF2 def kF2B2r = kF2r def kF2B3 = kF3 def kF2B3r = kF3r def kF2B4 = kF4 def kF2B5 = kF5 +def kF2X1 = kF1 def kF2X1r = kF1r def kF2X2 = kF2 def kF2X2r = kF2r def kF2X3 = kF3 def kF2X3r = kF3r def kF2X4 = kF4 def kF2X5 = kF5 + def kF2Y1r = kF1r def kF2Y2 = kF2 def kF2Y2r = kF2r def kF2Y3 = kF3 def kF2Y3r = kF3r def kF2Y4 = kF4 def kF2Y5 = kF5 +(*def kF2Y1 = kF1*) + +(* Separate rate for fluorophore +def mRepFork2B = mRepX +def mRepJoinBX = mRepJoin +def mRepJoinBY = mRepJoin +def mRepJoinXY = mRepJoin +*) + +def ku1 = kt def ku2 = kt def ku3 = kt +def ut =0.0 def uu1=0.0 def uu2 = 0.0 def uu3=0.0 + +(* Base *) +new X0 new Y0 + +def t0JoinBX_B = 1.0 def leakJoinBX_B = 0.24322014 def badJoinBX_B = (6.0 + 0.32425231 - 5.9000668) / 6.0 +def t0JoinBX_X = 1.0 def leakJoinBX_X = 0.11946842 def badJoinBX_X = (6.0 + 0.24609909 - 6.5566584) / 6.0 (* negative *) +def t0JoinBX_H = 1.0 def leakJoinBX_H = 0.097396333 def badJoinBX_H = (6.0 + 0.108521 - 5.9101173) / 6.0 +def t0JoinBX_R1 = 0.5 def leakJoinBX_R1 = 0.5971527 def badJoinBX_R1 = (6.0 + 0.61825693 - 5.3644739) / 6.0 +def t0JoinBX_R2 = 0.5 def leakJoinBX_R2 = 0.78391903 def badJoinBX_R2 = (6.0 + 1.0986007 - 6.1368419) / 6.0 +def t0JoinBX_R3 = 0.5 def leakJoinBX_R3 = 0.79910888 def badJoinBX_R3 = (6.0 + 1.5157708 - 7.0041442) / 6.0 (* negative *) +def t0JoinBY_B = 1.0 def leakJoinBY_B = 0.48863012 def badJoinBY_B = (6.0 + 0.79579046 - 6.0939745) / 6.0 (* 15.9 *) +def t0JoinBY_Y = 1.0 def leakJoinBY_Y = 0.27052827 def badJoinBY_Y = (6.0 + 0.38219716 - 6.6560031) / 6.0 (* negative 4.9 *) +def t0JoinBY_H = 1.0 def leakJoinBY_H = 0.055916679 def badJoinBY_H = (6.0 + 0.038363162 - 7.3458785) / 6.0 (* negative 2.3 *) +def t0JoinBY_R1 = 0.5 def leakJoinBY_R1 = 0.75069688 def badJoinBY_R1 = (6.0 + 0.80157264 - 5.3179004) / 6.0 (* 2.5 *) +def t0JoinBY_R2 = 0.5 def leakJoinBY_R2 = 0.88612285 def badJoinBY_R2 = (6.0 + 1.3410298 - 6.3513315) / 6.0 (* 6.4 *) +def t0JoinBY_R3 = 0.5 def leakJoinBY_R3 = 1.1365071 def badJoinBY_R3 = (6.0 + 2.0343225 - 5.3272129) / 6.0 (* 12.9 *) +def t0JoinXY_X = 1.0 def leakJoinXY_X = 1.6945078 def badJoinXY_X = (6.0 + 1.9423518 - 7.9032565) / 6.0 (* 12.5 *) +def t0JoinXY_Y = 1.0 def leakJoinXY_Y = 0.93308561 def badJoinXY_Y = (6.0 + 0.97638337 - 7.7032293) / 6.0 (* 3.5 *) +def t0JoinXY_H = 1.0 def leakJoinXY_H = 0.0 def badJoinXY_H = (6.0 + 0.0 - 5.4342962) / 6.0 (* 3.5 *) +def t0JoinXY_R1 = 0.5 def leakJoinXY_R1 = 0.3997306 def badJoinXY_R1 = (6.0 + 0.4573801 - 4.5074007) / 6.0 (* 2.1 *) +def t0JoinXY_R2 = 0.5 def leakJoinXY_R2 = 0.50340259 def badJoinXY_R2 = (6.0 + 0.85738814 - 4.7758843) / 6.0 (* 5.0 *) +def t0JoinXY_R3 = 0.5 def leakJoinXY_R3 = 0.73484885 def badJoinXY_R3 = (6.0 + 1.4824177 - 4.896728) / 6.0 (* 12.6 *) +def t0Fork2X_R = 1.0 def leakFork2X_R = 0.470958 def badFork2X_R = (6.0 + 0.9155104 - 6.2511144) / 6.0 (* negative 14.9 *) +def t0Fork2X_H1 = 1.0 def leakFork2X_H1 = 0.24226597 def badFork2X_H1 = (6.0 + 0.42083542 - 5.9889533) / 6.0 (* 8.2 *) +def t0Fork2X_H2 = 1.0 def leakFork2X_H2 = 0.12073307 def badFork2X_H2 = (6.0 + 0.1512095 - 6.1596074) / 6.0 (* 6.1 *) +def t0Fork2B_R = 1.0 def leakFork2B_R = 0.77312019 def badFork2B_R = (6.0 + 0.850197 - 4.8604263) / 6.0 (* 4.4 *) +def t0Fork2B_H1 = 1.0 def leakFork2B_H1 = 0.94868054 def badFork2B_H1 = (6.0 + 1.1182619 - 5.3043056) / 6.0 (* 11.1 *) +def t0Fork2B_H2 = 1.0 def leakFork2B_H2 = 0.88826117 def badFork2B_H2 = (6.0 + 0.90927962 - 5.5840612) / 6.0 (* 4.4 *) +def t0Fork2Y_R = 0.0833 def leakFork2Y_R = 0.18573219 def badFork2Y_R = (6.0 + 0.40505528 - 5.8409924) / 6.0 (* 19.2 *) +def t0Fork2Y_H1 = 1.0 def leakFork2Y_H1 = 0.12224817 def badFork2Y_H1 = (6.0 + 0.18764882 - 5.0428647) / 6.0 (* 24.7 *) +def t0Fork2Y_H2 = 1.0 def leakFork2Y_H2 = 0.092309817 def badFork2Y_H2 = (6.0 + 0.0798445 - 5.2368405) / 6.0 (* 16.9 *) + +def t0BX2X = 0.0833 def leakBX2X_F = 0.087 (*def leakBX2X_J = 0.0*) (* leakJoinBX_X*5.0 *) def badBX2X = 0.0 (*0.087 / 50.0*) +def t0BY2Y = 0.0833 def leakBY2Y_F = 0.96 (*def leakBY2Y_J = 0.0*) (* leakJoinBY_Y*5.0 *) def badBY2Y = 0.0 (*0.96 / 50.0 *) +def t0XY2B = 0.0833 def leakXY2B_F = 1.195 def leakXY2B_J = 0.0 def badXY2B = (30.0 + 3.5 - 30.35) / 30.0 + +def Input(ta,a) = +def Catalyst(tb,b) = +def Helper(tr,r) = +def Output(tc,c) = +def Translator(r,tq) = +def InputR(a,tb) = +def OutputR(c,tr) = +def CatalystR(b,tr) = +def Output1R(b,tr) = +def Output2R(c,tb) = +def Output3R(d,tc) = +def End(i,tc) = +def Signal_Fork(c,fl) = +def Signal_Join(fl,r) = +def Rep_Fork(tc,c,fl) = {tc^*}[c] +def Rep_Join(fl,r,tq) = [r]{tq^*} +def Join_AB(ta,a,tb,b,tr,r,tq) = {ta^*}[a tb^]:[b tr^]:[r tq^] +def Join_AB1(ta,a,tb,b,tr,r,tq) = [ta^ a]:{tb^*}[b tr^]:[r tq^] +def Join_AB2(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:{tr^*}[r tq^] +def Join_AB3(ta,a,tb,b,tr,r,tq) = [ta^ a]:[tb^ b]:[tr^ r]{tq^*} +def Fork_C(i,tc,c,tr,r,tq) = [i]:[tc^ c]:[tr^ r]{tq^*} +def Fork_BC(i,tc,c,tb,b,tr,r,tq) = [i]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:[tr^ r]{tq^*} +def Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:[tb^ b]:{tr^*}[r tq^] +def Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:[tc^ c]:{tb^*}[b tr^]:[r tq^] +def Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:[td^ d]:{tc^*}[c tb^]:[b tr^]:[r tq^] +def Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) = [i]:{td^*}[d tc^]:[c tb^]:[b tr^]:[r tq^] +def Fork_BCD5(i,td,d,tc,c,tb,b,tr,r,tq) = [i td^]:[d tc^]:[c tb^]:[b tr^]:[r tq^] + +(* Module definitions *) +def Join(NA,TA,NB,TB,NH,TH,NG,NV,Leak,ta,a,tb,b,tr,r,tq,kJ1,kJ1r,kJ2,kJ2r,kJ3,kJ3r) = +( 1.0 * (NG-Leak) * Join_AB(ta,a,tb,b,tr,r,tq) +| Leak * Translator(r,tq) +| NA * Input(ta,a) @ TA +| NB * Catalyst(tb,b) @ TB +| NH * Helper(tr,r) @ TH +| NV * InputR(a,tb) +| NV * CatalystR(b,tr) +(* Slow leak +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + ->{kl} [ta^]:[a]:[tb^ b]:[tr^ r]{tq^*} +*) +(* +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + <->{kl,kJ1} {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + +| rxn {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + <->{kJ3r,kJ3} {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ1} [ta^ a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ2r} {ta^*}[a tb^]:[b tr^]:[r tq^] + +*) +(* Unique Context *) +| rxn + Join_AB(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join_AB1(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join_AB2(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join_AB3(ta,a,tb,b,tr,r,tq) +) +def JoinRev(NA,TA,NB,TB,NH,TH,NG,NV,Leak,ta,a,tb,b,tr,r,tq,kJ1,kJ1r,kJ2,kJ2r,kJ3,kJ3r) = +( 1.0 * (NG-Leak) * Join_AB3(ta,a,tb,b,tr,r,tq) +| Leak * Input(ta,a) +| NA * Translator(r,tq) @ TA +| NB * CatalystR(b,tr) @ TB +| NH * InputR(a,tb) @ TH +| NV * Helper(tr,r) +| NV * Catalyst(tb,b) +(* Slow leak +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + ->{kl} [ta^]:[a]:[tb^ b]:[tr^ r]{tq^*} +*) +(* +| rxn [ta^ a]:[tb^ b]:[tr^ r]{tq^*} + <->{kl,kJ1} {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + +| rxn {ta^*}[a]:[tb^ b]:[tr^ r]{tq^*} + <->{kJ3r,kJ3} {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ1} [ta^ a]:[tb^ b]:{tr^*}[r tq^] + +| rxn {ta^*}[a]:[tb^ b]:{tr^*}[r tq^] + ->{kJ2r} {ta^*}[a tb^]:[b tr^]:[r tq^] + +*) +(* Unique Context *) +| rxn + Join_AB(ta,a,tb,b,tr,r,tq) <->{kJ1,kJ1r} + Join_AB1(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB1(ta,a,tb,b,tr,r,tq) <->{kJ2,kJ2r} + Join_AB2(ta,a,tb,b,tr,r,tq) +| rxn + Join_AB2(ta,a,tb,b,tr,r,tq) <->{kJ3,kJ3r} + Join_AB3(ta,a,tb,b,tr,r,tq) +) +def Fork3(N,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,i,td,d,tc,c,tb,b,tr,r,tq,kF1,kF1r,kF2,kF2r,kF3,kF3r,kF4,kF5) = +( 1.0 * (NG-Leak) * Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) +(* Alternative to reporter leak +| Leak * Output(tc,c) +| Leak * Output(td,d) +*) +| N * Translator(r,tq) @ T +| NH1 * Output1R(b,tr) @ T1 +| NH2 * Output2R(c,tb) @ T2 +| NH3 * Output3R(d,tc) +| NH4 * End(i,td) +| 0 * Helper(tr,r) +(* Unique Context *) +| rxn + Fork_BCD(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF1,kF1r} + Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD1(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF2,kF2r} + Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD2(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF3,kF3r} + Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD3(i,td,d,tc,c,tb,b,tr,r,tq) <->{kF4,kF2r} + Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) +| rxn + Fork_BCD4(i,td,d,tc,c,tb,b,tr,r,tq) ->{kF5} Fork_BCD5(i,td,d,tc,c,tb,b,tr,r,tq) + +) +def RepJoin(N,T,NR,r,t,f,km) = +( N * Translator(r,t) @ T +| NR * Rep_Join(f,r,t) +| 0 * Signal_Join(f,r) +| rxn Translator(r,t) + Rep_Join(f,r,t) ->{km} Signal_Join(f,r) + [r t^] +(*| rxn [r]:[t^] ->{km} Signal_Join(f,r) + [r t^]*) +) +def RepFork(N,T,NR,t,c,f,km) = +( N * Output(t,c) @ T +| NR * Rep_Fork(t,c,f) +| 0 * Signal_Fork(c,f) +| rxn Output(t,c) + Rep_Fork(t,c,f) ->{km} Signal_Fork(c,f) + [t^ c] +(*| rxn [t^]:[c] ->{km} Signal_Fork(c,f) + [t^ c]*) +) + +dom t = {seq = CTGATC; bind=kt; unbind=ut; colour="red"} +dom u1 = {seq = CTTCAG; bind=ku1; unbind=uu1; colour="orange"} +dom u2 = {seq = CCATAC; bind=ku2; unbind=uu2; colour="blue"} +dom u3 = {seq = ATACCC; bind=ku3; unbind=uu3; colour="green"} +dom x = {seq = CATTGCTTTATTTACCGAGTCTTAT} +dom y = {seq = CATTGCCTAACCCACCGAGTCCTTT} +dom b = {seq = CATTGCCAATTCCTACGAGTCTACC} +dom pb = {seq = CATTGCATTATATTCCGAGTCCTAC} +dom px = {seq = CATTGCCTTCCCACTAGAGTCTCAC} +dom py = {seq = CATTGCACCACCCTAAGAGTCTAAC} +dom rxy = {seq = CATTGCTACCACCTCCGAGTCTAAC} +dom rbx = {seq = CATTGCCAAACCATTAGAGTCAAAC} +dom rby = {seq = CATTGCACCCTAATACGAGTCTCAC} +dom ig = {seq = CTGAAATAAATAAATAGAGTCTACC} +dom FAM = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom TYE665 = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom ROX = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom ALEX488 = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom TAMRA = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} +dom ALEX647 = {seq = T; bind=0.0; unbind = 0.0; colour = "yellow"} + +(* Components *) +//def Signal_JoinXY() = Signal_Join(TAMRA,rxy) +//def Signal_JoinBX() = Signal_Join(TAMRA,rbx) +//def Signal_JoinBY() = Signal_Join(TAMRA,rby) +//def Signal_Fork2B() = Signal_Fork(pb,ROX) +//def Signal_Fork2X() = Signal_Fork(px,FAM) +//def Signal_Fork2Y() = Signal_Fork(py,TYE665) +//def Signal_B() = Signal_Fork(b,ALEX488) +//def Signal_X() = Signal_Fork(x,ROX) +def RepJoinBX(N,T,NR) = RepJoin(N,T,NR,rbx,u1,TAMRA,mRepJoinBX) +def RepJoinBY(N,T,NR) = RepJoin(N,T,NR,rby,u1,TAMRA,mRepJoinBY) +def RepJoinXY(N,T,NR) = RepJoin(N,T,NR,rxy,u1,TAMRA,mRepJoinXY) +def RepB(N,T,NR) = RepFork(N,T,NR,t,b,ALEX488,mRepB) +def RepX(N,T,NR) = RepFork(N,T,NR,t,x,ROX,mRepX) +def RepFork2B(N,T,NR) = RepFork(N,T,NR,u3,pb,ROX,mRepFork2B) +def RepFork2X(N,T,NR) = RepFork(N,T,NR,u3,px,FAM,mRepFork2X) +def RepFork2Y(N,T,NR) = RepFork(N,T,NR,u3,py,TYE665,mRepFork2Y) +def JoinBX(NB,TB,NX,TX,NH,TH,NG,Leak) = Join(NB,TB,NX,TX,NH,TH,NG,0,Leak,t,b,t,x,t,rbx,u1,kJBX1,kJBX1r,kJBX2,kJBX2r,kJBX3,kJBX3r) +def JoinBY(NB,TB,NY,TY,NH,TH,NG,Leak) = Join(NB,TB,NY,TY,NH,TH,NG,0,Leak,t,b,t,y,t,rby,u1,kJBY1,kJBY1r,kJBY2,kJBY2r,kJBY3,kJBY3r) +def JoinXY(NX,TX,NY,TY,NH,TH,NG,Leak) = Join(NX,TX,NY,TY,NH,TH,NG,0,Leak,t,x,t,y,t,rxy,u1,kJXY1,kJXY1r,kJXY2,kJXY2r,kJXY3,kJXY3r) +def JoinBXRev(NB,TB,NX,TX,NH,TH,NG,Leak) = JoinRev(NB,TB,NX,TX,NH,TH,NG,0,Leak,t,b,t,x,t,rbx,u1,kJBX1,kJBX1r,kJBX2,kJBX2r,kJBX3,kJBX3r) +def JoinBYRev(NB,TB,NY,TY,NH,TH,NG,Leak) = JoinRev(NB,TB,NY,TY,NH,TH,NG,0,Leak,t,b,t,y,t,rby,u1,kJBX1,kJBX1r,kJBX2,kJBX2r,kJBX3,kJBX3r) +def JoinXYRev(NX,TX,NY,TY,NH,TH,NG,Leak) = JoinRev(NX,TX,NY,TY,NH,TH,NG,0,Leak,t,x,t,y,t,rxy,u1,kJBX1,kJBX1r,kJBX2,kJBX2r,kJBX3,kJBX3r) +def Fork2B(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF2B1,kF2B1r,kF2B2,kF2B2r,kF2B3,kF2B3r,kF2B4,kF2B5) | RepFork2B(Leak (*0*),0,NR) ) +def ForkXY2B(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,ig,t,b,u3,pb,t,b,u2,rxy,u1,kF2B1,kF2B1r,kF2B2,kF2B2r,kF2B3,kF2B3r,kF2B4,kF2B5) | RepB(Leak (*0*),0,NR) ) +def Fork2X(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,ig,t,x,u3,px,t,x,u2,rbx,u1,kF2X1,kF2X1r,kF2X2,kF2X2r,kF2X3,kF2X3r,kF2X4,kF2X5) | RepFork2X(Leak (*0*),0,NR) ) +def Fork2Y(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,NR) = ( Fork3(NT,T,NH1,T1,NH2,T2,NH3,NH4,NG,Leak,ig,t,y,u3,py,t,y,u2,rby,u1,kF2Y1,kF2Y1r,kF2Y2,kF2Y2r,kF2Y3,kF2Y3r,kF2Y4,kF2Y5) | RepFork2Y(Leak (*0*),0,NR) ) + +(* Circuits that have been measured *) +def Rep_rxyu1(N) = RepJoinXY(N*Xr,t0Rep_rxyu1,4*Xr) +def Rep_rbxu1(N) = RepJoinBX(N*Xr,t0Rep_rbxu1,4*Xr) +def Rep_rbyu1(N) = RepJoinBY(N*Xr,t0Rep_rbyu1,4*Xr) +def Rep_u3pb(N) = RepFork2B(N*Xr,t0Rep_u3pb,4*Xr) +def Rep_u3px(N) = RepFork2X(N*Xr,t0Rep_u3px,4*Xr) +def Rep_u3py(N) = RepFork2Y(N*Xr,t0Rep_u3py,4*Xr) +def Rep_tb(N) = RepB(N*Xr,t0Rep_tb,3*Xr) +def Rep_tx(N) = RepX(N*Xr,t0Rep_tx,3*Xr) +def JoinBX_AddB(N) = ( JoinBX(N*Xi*(1-badJoinBX_B),t0JoinBX_B,NMi,0,NMi,0,NGi,leakJoinBX_B) | RepJoinBX(0,0,NRi) ) +def JoinBX_AddX(N) = ( JoinBX(NMi,0,N*Xi*(1-badJoinBX_X),t0JoinBX_X,NMi,0,NGi,leakJoinBX_X) | RepJoinBX(0,0,NRi) ) +def JoinBX_AddH(N) = ( JoinBX(NMi,0,NMi,0,N*Xi*(1-badJoinBX_H),t0JoinBX_H,NGi,leakJoinBX_H) | RepJoinBX(0,0,NRi) ) +def JoinBX_AddRev1(N) = ( JoinBXRev(NMi,0,NMi,0,N*Xi*(1-badJoinBX_R1),t0JoinBX_R1,NGi,leakJoinBX_R1) | RepB(0,0,NRi) ) +def JoinBX_AddRev2(N) = ( JoinBXRev(NMi,0,N*Xi*(1-badJoinBX_R2),t0JoinBX_R2,NMi,0,NGi,leakJoinBX_R2) | RepB(0,0,NRi) ) +def JoinBX_AddRev3(N) = ( JoinBXRev(N*Xi*(1-badJoinBX_R3),t0JoinBX_R3,NMi,0,NMi,0,NGi,leakJoinBX_R3) | RepB(0,0,NRi) ) +def JoinBY_AddB(N) = ( JoinBY(N*Xi*(1-badJoinBY_B),t0JoinBY_B,NMi,0,NMi,0,NGi,leakJoinBY_B) | RepJoinBY(0,0,NRi) ) +def JoinBY_AddY(N) = ( JoinBY(NMi,0,N*Xi*(1-badJoinBY_Y),t0JoinBY_Y,NMi,0,NGi,leakJoinBY_Y) | RepJoinBY(0,0,NRi) ) +def JoinBY_AddH(N) = ( JoinBY(NMi,0,NMi,0,N*Xi*(1-badJoinBY_H),t0JoinBY_H,NGi,leakJoinBY_H) | RepJoinBY(0,0,NRi) ) +def JoinBY_AddRev1(N) = ( JoinBYRev(NMi,0,NMi,0,N*Xi*(1-badJoinBY_R1),t0JoinBY_R1,NGi,leakJoinBY_R1) | RepB(0,0,NRi) ) +def JoinBY_AddRev2(N) = ( JoinBYRev(NMi,0,N*Xi*(1-badJoinBY_R2),t0JoinBY_R2,NMi,0,NGi,leakJoinBY_R2) | RepB(0,0,NRi) ) +def JoinBY_AddRev3(N) = ( JoinBYRev(N*Xi*(1-badJoinBY_R3),t0JoinBY_R3,NMi,0,NMi,0,NGi,leakJoinBY_R3) | RepB(0,0,NRi) ) +def JoinXY_AddX(N) = ( JoinXY(N*Xi*(1-badJoinXY_X),t0JoinXY_X,NMi,0,NMi,0,NGi,leakJoinXY_X) | RepJoinXY(0,0,NRi) ) +def JoinXY_AddY(N) = ( JoinXY(NMi,0,N*Xi*(1-badJoinXY_Y),t0JoinXY_Y,NMi,0,NGi,leakJoinXY_Y) | RepJoinXY(0,0,NRi) ) +def JoinXY_AddH(N) = ( JoinXY(NMi,0,NMi,0,N*Xi*(1-badJoinXY_H),t0JoinXY_H,NGi,leakJoinXY_H) | RepJoinXY(0,0,NRi) ) +def JoinXY_AddRev1(N) = ( JoinXYRev(NMi,0,NMi,0,N*Xi*(1-badJoinXY_R1),t0JoinXY_R1,NGi,leakJoinXY_R1) | RepX(0,0,NRi) ) +def JoinXY_AddRev2(N) = ( JoinXYRev(NMi,0,N*Xi*(1-badJoinXY_R2),t0JoinXY_R2,NMi,0,NGi,leakJoinXY_R2) | RepX(0,0,NRi) ) +def JoinXY_AddRev3(N) = ( JoinXYRev(N*Xi*(1-badJoinXY_R3),t0JoinXY_R3,NMi,0,NMi,0,NGi,leakJoinXY_R3) | RepX(0,0,NRi) ) +def Fork2X_AddR(N) = ( Fork2X(N*Xi*(1-badFork2X_R ),t0Fork2X_R,NMi,0,NMi,0,NMi,NMi,NGi,leakFork2X_R,NRi) ) +def Fork2X_AddH1(N) = ( Fork2X(NMi,0,N*Xi*(1-badFork2X_H1),t0Fork2X_H1,NMi,0,NMi,NMi,NGi,leakFork2X_H1,NRi) ) +def Fork2X_AddH2(N) = ( Fork2X(NMi,0,NMi,0,N*Xi*(1-badFork2X_H2),t0Fork2X_H2,NMi,NMi,NGi,leakFork2X_H2,NRi) ) +def Fork2B_AddR(N) = ( Fork2B(N*Xi*(1-badFork2B_R ),t0Fork2B_R,NMi,0,NMi,0,NMi,NMi,NGi,leakFork2B_R,NRi) ) +def Fork2B_AddH1(N) = ( Fork2B(NMi,0,N*Xi*(1-badFork2B_H1),t0Fork2B_H1,NMi,0,NMi,NMi,NGi,leakFork2B_H1,NRi) ) +def Fork2B_AddH2(N) = ( Fork2B(NMi,0,NMi,0,N*Xi*(1-badFork2B_H2),t0Fork2B_H2,NMi,NMi,NGi,leakFork2B_H2,NRi) ) +def Fork2Y_AddR(N) = ( Fork2Y(N*Xi*(1-badFork2Y_R ),t0Fork2Y_R,NMi,0,NMi,0,NMi,NMi,NGi,leakFork2Y_R,NRi) ) +def Fork2Y_AddH1(N) = ( Fork2Y(NMi,0,N*Xi*(1-badFork2Y_H1),t0Fork2Y_H1,NMi,0,NMi,NMi,NGi,leakFork2Y_H1,NRi) ) +def Fork2Y_AddH2(N) = ( Fork2Y(NMi,0,NMi,0,N*Xi*(1-badFork2Y_H2),t0Fork2Y_H2,NMi,NMi,NGi,leakFork2Y_H2,NRi) ) +def BX2X(N,X,NH,NG,NR) = ( JoinBX(X,0,X*N*(1-badBX2X),t0BX2X,NH,0,NG,leakBX2X_J) | Fork2X(0,0,NH,0,NH,0,NH,NH,NG,leakBX2X_F,NR) ) +def BY2Y(N,X,NH,NG,NR) = ( JoinBY(X,0,X*N*(1-badBY2Y),t0BY2Y,NH,0,NG,leakBY2Y_J) | Fork2Y(0,0,NH,0,NH,0,NH,NH,NG,leakBY2Y_F,NR) ) +def XY2B(Nx,Ny,X,NH,NG,NR) = ( JoinXY(X*Nx*(1-badXY2B),t0XY2B,X*Ny*(1-badXY2B),t0XY2B,NH,0,NG,leakXY2B_J) | ForkXY2B(0,0,NH,0,NH,0,NH,NH,NG,leakXY2B_F,NR) ) +def XY2B_AM(Nx,Ny,X,NH,NG,NR) = ( JoinXY(X*Nx*(1-badXY2B),t0XY2B,X*Ny*(1-badXY2B),t0XY2B,NH,0,NG,leakXY2B_J) | Fork2B(0,0,NH,0,NH,0,NH,NH,NG,leakXY2B_F,NR) ) +def AM(Nx,Ny) = ( XY2B_AM(Nx,Ny,Xm,NHm,NGm,NRm) | BX2X(0,0,NHm,NGm,NRm) | BY2Y(0,0,NHm*1.2,NGm*1.2,NRm) (*| NHm * 0.8 * *) +| Nx*Xm* | Ny*Xm* ) + +( runRep_rbxu1 * Rep_rbxu1(N) +| runRep_rbyu1 * Rep_rbyu1(N) +| runRep_rxyu1 * Rep_rxyu1(N) +| runRep_u3pb * Rep_u3pb(N) +| runRep_u3px * Rep_u3px(N) +| runRep_u3py * Rep_u3py(N) +| runRep_tb * Rep_tb(N) +| runRep_tx * Rep_tx(N) +| runJoinBX_AddB * JoinBX_AddB(N) +| runJoinBX_AddX * JoinBX_AddX(N) +| runJoinBX_AddH * JoinBX_AddH(N) +| runJoinBY_AddB * JoinBY_AddB(N) +| runJoinBY_AddY * JoinBY_AddY(N) +| runJoinBY_AddH * JoinBY_AddH(N) +| runJoinXY_AddX * JoinXY_AddX(N) +| runJoinXY_AddY * JoinXY_AddY(N) +| runJoinXY_AddH * JoinXY_AddH(N) +| runFork2X_AddR * Fork2X_AddR(N) +| runFork2X_AddH1 * Fork2X_AddH1(N) +| runFork2X_AddH2 * Fork2X_AddH2(N) +| runFork2Y_AddR * Fork2Y_AddR(N) +| runFork2Y_AddH1 * Fork2Y_AddH1(N) +| runFork2Y_AddH2 * Fork2Y_AddH2(N) +| runFork2B_AddR * Fork2B_AddR(N) +| runFork2B_AddH1 * Fork2B_AddH1(N) +| runFork2B_AddH2 * Fork2B_AddH2(N) +| runJoinBX_AddRev1 * JoinBX_AddRev1(N) +| runJoinBX_AddRev2 * JoinBX_AddRev2(N) +| runJoinBX_AddRev3 * JoinBX_AddRev3(N) +| runJoinBY_AddRev1 * JoinBY_AddRev1(N) +| runJoinBY_AddRev2 * JoinBY_AddRev2(N) +| runJoinBY_AddRev3 * JoinBY_AddRev3(N) +| runJoinXY_AddRev1 * JoinXY_AddRev1(N) +| runJoinXY_AddRev2 * JoinXY_AddRev2(N) +| runJoinXY_AddRev3 * JoinXY_AddRev3(N) +| runBX2X * BX2X(N,X,NH,NG,NR) +| runBY2Y * BY2Y(N,X,NH,NG,NR) +| runXY2B * XY2B(Nx,Ny,X,NH,NG,NR) +| runAM * AM(Nx,Ny) +| 0 * +| 0 * +| 0 * +| 0 * +| 0 * +| 0 * +| 0 * +| 0 * +) \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/2-domain, DCM - Two domain fork-join.csv b/ClassicDSD/Examples/Results/2-domain, DCM - Two domain fork-join.csv new file mode 100644 index 0000000..0e74842 --- /dev/null +++ b/ClassicDSD/Examples/Results/2-domain, DCM - Two domain fork-join.csv @@ -0,0 +1,24 @@ +Time,sp1,sp2,sp3,sp4 +0,0,0,0,0 +0.2185119967458075,0,0,0,0 +0.7318324675759849,0,0,0,0 +1.00695575522238,0,0,0,0 +1.3765048651602796,0,0,0,0 +1.715751760738807,0,0,0,0 +2.1265179397248644,0,0,0,0 +2.5334974179516023,0,0,0,1 +2.8762640003132693,0,0,0,1 +3.1765069514432085,0,0,0,1 +3.4937423579351905,0,0,0,1 +3.713553598416215,0,0,0,1 +4.373231918229864,0,0,0,1 +4.729162469571792,0,0,0,1 +5.076965613179388,0,0,0,1 +5.68826781639414,0,0,0,1 +6.132685749317669,0,0,0,1 +6.4538488564907865,0,0,0,1 +6.753214627178868,0,0,0,1 +7.0061937179619616,0,0,0,1 +7.439658843891573,1,0,0,1 +7.685720528982878,1,0,0,1 +299.9999970768572,1,0,0,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/2-domain, DCM - Two-domain transducer.csv b/ClassicDSD/Examples/Results/2-domain, DCM - Two-domain transducer.csv new file mode 100644 index 0000000..3822965 --- /dev/null +++ b/ClassicDSD/Examples/Results/2-domain, DCM - Two-domain transducer.csv @@ -0,0 +1,10 @@ +Time,sp_0,sp1 +0,1,0 +4812.118316330253,0,0 +5143.817792735843,0,0 +6738.669892838853,0,0 +7925.2372858241115,0,0 +9054.755174705851,0,0 +9307.249713225392,0,1 +9849.515221003649,0,0 +9999.999998495152,0,0 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/3-domain, DNA 2016 - Buffered Fork.csv b/ClassicDSD/Examples/Results/3-domain, DNA 2016 - Buffered Fork.csv new file mode 100644 index 0000000..63eb7f5 --- /dev/null +++ b/ClassicDSD/Examples/Results/3-domain, DNA 2016 - Buffered Fork.csv @@ -0,0 +1,278 @@ +Time,sum([sp_0]),sum([sp15]),sum([sp14]) +0,100,0,0 +30.474737687149208,100,0,0 +60.23881306986739,100,0,0 +91.31126752300001,100,0,0 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b/ClassicDSD/Examples/Results/RulesDSD/enzymes.csv new file mode 100644 index 0000000..707d862 --- /dev/null +++ b/ClassicDSD/Examples/Results/RulesDSD/enzymes.csv @@ -0,0 +1,4 @@ +Time,sp_0,sp_1,sp_2,sp_3,sp_4,sp_5,sp_6 +0,10,1,0,0,0,0,0 +155.2296231074275,10,0,0,0,0,0,0 +999.9999915522961,10,0,0,0,0,0,0 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/RulesDSD/join_infinite.csv b/ClassicDSD/Examples/Results/RulesDSD/join_infinite.csv new file mode 100644 index 0000000..f2a0189 --- /dev/null +++ b/ClassicDSD/Examples/Results/RulesDSD/join_infinite.csv @@ -0,0 +1,303 @@ +Time,sp_0,sp_1,sp_2,sp_3,sp_4,sp_5,sp_6 +0,10,10,100,0,0,0,0 +1.4453050064551132,6,10,96,0,0,4,4 +2.285131950459865,4,9,94,1,1,5,6 +6.277674083959239,2,9,92,1,1,7,8 +7.898570278627301,2,9,92,1,1,7,8 +8.902418980870467,1,9,91,1,1,8,9 +15.133214474394098,0,8,90,2,2,8,10 +16.916217939493567,1,8,91,2,2,7,9 +18.582482162898234,0,8,90,2,2,8,10 +21.448349993773757,2,8,92,2,2,6,8 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a/ClassicDSD/Examples/Results/Simple - Hairpin-free HCR.csv b/ClassicDSD/Examples/Results/Simple - Hairpin-free HCR.csv new file mode 100644 index 0000000..925ba51 --- /dev/null +++ b/ClassicDSD/Examples/Results/Simple - Hairpin-free HCR.csv @@ -0,0 +1,14 @@ +Time,sp_0,sp_1,sp_2,sp_3,sp_4,sp1,sp2,sp3,sp4,sp5,sp6,sp7,sp8,sp9,sp10,sp11 +0,1,3,1000,1000,3,0,0,0,0,0,0,0,0,0,0,0 +1604.9231851614904,1,3,1000,1000,3,0,0,0,0,0,0,0,0,0,0,0 +2672.8999729759466,1,3,1000,1000,3,0,0,0,0,0,0,0,0,0,0,0 +3426.9209800901144,1,3,1000,1000,3,0,0,0,0,0,0,0,0,0,0,0 +3969.1864878683627,0,2,1000,1000,3,1,0,0,0,0,0,0,0,0,0,0 +3991.3815383814294,1,3,1000,1000,3,0,0,0,0,0,0,0,0,0,0,0 +4379.729760445104,1,3,1000,1000,3,0,0,0,0,0,0,0,0,0,0,0 +5100.054194605539,0,2,1000,1000,3,0,1,1,0,0,0,0,0,0,0,0 +5114.624774493846,0,2,999,1000,3,0,1,0,1,1,0,0,0,0,0,0 +5140.113621379858,0,2,999,999,2,0,0,0,0,1,1,1,0,1,1,0 +6793.466686490727,0,2,999,999,2,0,0,0,0,1,1,1,0,0,1,1 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100644 index 0000000..ecf4ead --- /dev/null +++ b/ClassicDSD/Examples/Results/Simple - Monomers.csv @@ -0,0 +1,6 @@ +Time,sp_0,sp1,sp2,sp3,sp4,sp5 +0,5,0,0,0,0,0 +240.60591581651266,3,1,1,0,0,0 +295.889161884111,2,0,2,1,0,0 +827.5065285851146,1,0,3,0,1,0 +2607.357618063002,0,0,4,0,0,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/Square root - Qian and Winfree 4 bit square root circuit.csv b/ClassicDSD/Examples/Results/Square root - Qian and Winfree 4 bit square root circuit.csv new file mode 100644 index 0000000..da64323 --- /dev/null +++ b/ClassicDSD/Examples/Results/Square root - Qian and Winfree 4 bit square root circuit.csv @@ -0,0 +1,9909 @@ +Time,sp92,sp89,sp144,sp137 +0,0,0,0,0 +3.615910870927058,0,0,0,0 +7.223986863254582,0,0,0,0 +10.833992471866274,0,0,0,0 +14.42286657422012,0,0,0,0 +18.124555579851588,0,0,0,0 +21.72552807507325,0,0,0,0 +25.32452544895887,0,0,0,0 +28.87937426487114,0,0,0,0 +32.55885646562532,0,0,0,0 +36.17689755767878,0,0,0,0 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b/ClassicDSD/Examples/Results/WalkerTalk/02 standard gates.csv @@ -0,0 +1,3 @@ +Time,sp_0,sp_1,sp_2,sp_3,sp_4,sp_5 +0,1,1,1,1,1,1 +999.9999899999999,1,1,1,1,1,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/03 standard reaction.csv b/ClassicDSD/Examples/Results/WalkerTalk/03 standard reaction.csv new file mode 100644 index 0000000..34452ac --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/03 standard reaction.csv @@ -0,0 +1,3 @@ +Time,sp_0,sp_1,sp3,sp4,sp5 +0,1,1,0,0,0 +999.9999899999999,1,1,0,0,0 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/04 rxn basic.csv b/ClassicDSD/Examples/Results/WalkerTalk/04 rxn basic.csv new file mode 100644 index 0000000..020dc5a --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/04 rxn basic.csv @@ -0,0 +1,3 @@ +Time,sp1,sp2 +0,0,0 +999.9999899999999,0,0 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/05 rxn rate.csv b/ClassicDSD/Examples/Results/WalkerTalk/05 rxn rate.csv new file mode 100644 index 0000000..d78ce44 --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/05 rxn rate.csv @@ -0,0 +1,3 @@ +Time,sp1 +0,0 +999.9999899999999,0 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/06 rxn Michaelis-Menten.csv b/ClassicDSD/Examples/Results/WalkerTalk/06 rxn Michaelis-Menten.csv new file mode 100644 index 0000000..3d1b300 --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/06 rxn Michaelis-Menten.csv @@ -0,0 +1,152 @@ +Time,sp_0,sp_1,sp_2,sp_3,sp5,sp6,sp7 +0,1,1,1,1,0,0,0 +0.09619730606474225,0.9933719716119324,0.9933174889714022,1,0.9956042043921889,0.004395795607811037,0.006628028388067678,0.00005448264053019098 +0.20308320169223365,0.9862502818022933,0.9860102803837915,1,0.990736587014942,0.009263412985057898,0.01374971819770665,0.00024000141850181734 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+6.410459568823605,1,0,0,1 +8.17795233830277,0,0,1,1 +999.9999900817794,0,0,1,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/09 hairpins close.csv b/ClassicDSD/Examples/Results/WalkerTalk/09 hairpins close.csv new file mode 100644 index 0000000..176e7b4 --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/09 hairpins close.csv @@ -0,0 +1,7 @@ +Time,sp_0,sp_1,sp1,sp2,sp3 +0,1,1,0,0,0 +6.410459568823605,0,1,1,0,0 +8.173255723326298,0,0,1,1,0 +805.5993057748351,0,0,0,0,1 +815.0834145997617,0,0,1,1,0 +1379.8423590406287,0,0,0,0,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/10 tethers basic.csv b/ClassicDSD/Examples/Results/WalkerTalk/10 tethers basic.csv new file mode 100644 index 0000000..e063a1b --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/10 tethers basic.csv @@ -0,0 +1,3 @@ +Time,sp_0 +0,1 +999.9999899999999,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/11 tethers untethered.csv b/ClassicDSD/Examples/Results/WalkerTalk/11 tethers untethered.csv new file mode 100644 index 0000000..e063a1b --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/11 tethers untethered.csv @@ -0,0 +1,3 @@ +Time,sp_0 +0,1 +999.9999899999999,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/12 tethers free.csv b/ClassicDSD/Examples/Results/WalkerTalk/12 tethers free.csv new file mode 100644 index 0000000..b0bf5fb --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/12 tethers free.csv @@ -0,0 +1,3 @@ +Time,sp_0,sp_1 +0,1,1 +999.9999899999999,1,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/13 tethers free react.csv b/ClassicDSD/Examples/Results/WalkerTalk/13 tethers free react.csv new file mode 100644 index 0000000..56c6fcd --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/13 tethers free react.csv @@ -0,0 +1,3 @@ +Time,sp_0,sp_1,sp3 +0,1,1,0 +999.9999899999999,1,1,0 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/14 tethers tethered react.csv b/ClassicDSD/Examples/Results/WalkerTalk/14 tethers tethered react.csv new file mode 100644 index 0000000..87c3131 --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/14 tethers tethered react.csv @@ -0,0 +1,103 @@ +Time,sp_0,sp2 +0,1,0 +0.04812118316330253,0,1 +1.847510994644521,0,1 +11.35421017734869,0,1 +13.388640528617438,0,1 +57.79026450613802,0,1 +66.31143724550822,0,1 +74.7619700092901,0,1 +84.6502799552637,0,1 +89.33894281058662,0,1 +110.26479273201436,0,1 +127.83661977234301,0,1 +156.7250570555394,0,1 +185.36865060877,0,1 +202.37639025511632,0,1 +213.5910023159286,0,1 +215.82851385237393,0,1 +223.5617963365013,0,1 +231.52650654605972,0,1 +246.52893636555123,0,1 +256.2088648891955,0,1 +258.2206773752988,0,1 +262.85840886644036,0,1 +268.28836042570816,0,1 +273.6345854500172,0,1 +286.06806963873834,0,1 +304.4164671286145,0,1 +307.93860269966785,0,1 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react compete lc.csv new file mode 100644 index 0000000..2f65f74 --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/16 tethers react compete lc.csv @@ -0,0 +1,41 @@ +Time,sp_0,sp_1,sp3,sp4 +0,1,1,0,0 +47.64473580525002,0,1,0,1 +49.412228574729184,1,1,0,0 +80.99345827973929,0,1,0,1 +90.47756710466587,1,1,0,0 +112.84425797361122,0,1,0,1 +114.86242035964663,1,1,0,0 +130.9693166302879,0,1,0,1 +175.35941765642124,1,1,0,0 +186.76828041624435,0,1,0,1 +195.26796538218343,1,1,0,0 +216.54298858134013,0,1,0,1 +224.67362815901123,1,1,0,0 +369.6610641515654,1,1,0,0 +395.78824364015173,0,1,0,1 +405.2886133686224,1,1,0,0 +438.10590241984306,1,1,0,0 +454.65399377106894,1,1,0,0 +503.8499944988968,0,1,0,1 +508.45538383483256,1,1,0,0 +590.9044129310716,0,1,0,1 +611.7894851169845,1,1,0,0 +652.1634806764695,0,1,0,1 +669.7318188927555,1,1,0,0 +673.186100123115,0,1,0,1 +702.0455164596,1,1,0,0 +730.7791270651497,0,1,0,1 +759.3621787598339,1,1,0,0 +819.3046129642918,0,1,0,1 +836.2871621872517,1,1,0,0 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newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/Walker.csv b/ClassicDSD/Examples/Results/WalkerTalk/Walker.csv new file mode 100644 index 0000000..bb2f138 --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/Walker.csv @@ -0,0 +1,16 @@ +Time,sp_0,sp1,sp2,sp3,sp4,sp5,sp6,sp7,sp8,sp9,sp10 +0,1,0,0,0,0,0,0,0,0,0,0 +0.04812118316330253,0,1,1,0,0,0,0,0,0,0,0 +663.4470739943436,0,0,0,1,1,0,0,0,0,0,0 +3853.169072711259,0,0,0,1,1,0,0,0,0,0,0 +6112.20863787133,0,0,0,1,1,0,0,0,0,0,0 +7739.08846661355,0,0,0,1,1,0,0,0,0,0,0 +8891.399556420176,0,0,0,1,1,0,0,0,0,0,0 +11040.192158014837,0,0,0,0,0,0,1,1,0,0,0 +25669.054365875192,0,0,0,0,0,0,0,0,1,1,0 +25724.33586864483,0,0,0,0,0,0,0,0,1,1,0 +29319.61724756679,0,0,0,0,0,0,0,0,1,1,0 +29398.593588253752,0,0,0,0,0,0,0,0,1,1,0 +31127.23299253171,0,0,0,0,0,0,0,0,1,1,0 +38966.137530731416,0,0,0,0,0,0,0,0,1,1,0 +45560.12047459282,0,0,0,0,0,0,0,0,0,0,1 \ No newline at end of file diff --git a/ClassicDSD/Examples/Results/WalkerTalk/circular_walker.csv b/ClassicDSD/Examples/Results/WalkerTalk/circular_walker.csv new file mode 100644 index 0000000..51eefe4 --- /dev/null +++ b/ClassicDSD/Examples/Results/WalkerTalk/circular_walker.csv @@ -0,0 +1,16 @@ +Time,walker,fuels,sp1,sp2,sp3,sp4,sp5,sp6,sp7,sp8,sp9,sp10,sp11,sp12,sp13,sp14 +0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0 +0.24060591581651267,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0 +663.6395587269968,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0 +3853.3437589330174,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0 +7413.045937888793,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0 +9672.081715652273,0,0,0,0,1,0,0,0,0,0,1,1,0,0,0,0 +10429.565331210897,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0 +12057.194908774922,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1 +13209.649558271582,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1 +15358.579486387795,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0 +29987.444456994646,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1 +32626.467875612107,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0 +35933.09707651086,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1 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+runFork2B_AddH1,0,0,0,Real,Fixed +runFork2B_AddH2,0,0,0,Real,Fixed +runFork2X_AddH1,0,0,0,Real,Fixed +runFork2X_AddH2,0,0,0,Real,Fixed +runFork2Y_AddR,0,0,0,Real,Fixed +runFork2Y_AddH1,0,0,0,Real,Fixed +runFork2Y_AddH2,0,0,0,Real,Fixed +runJoinBX_AddRev1,0,0,0,Real,Fixed +runJoinBX_AddRev2,0,0,0,Real,Fixed +runJoinBX_AddRev3,0,0,0,Real,Fixed +runJoinBY_AddRev1,0,0,0,Real,Fixed +runJoinBY_AddRev2,0,0,0,Real,Fixed +runJoinBY_AddRev3,0,0,0,Real,Fixed +runJoinXY_AddRev1,0,0,0,Real,Fixed +runJoinXY_AddRev2,0,0,0,Real,Fixed +runJoinXY_AddRev3,0,0,0,Real,Fixed +runXY2B,0,0,0,Real,Fixed +runBY2Y,0,0,0,Real,Fixed diff --git a/ClassicDSD/notepadpp.xml b/ClassicDSD/notepadpp.xml new file mode 100644 index 0000000..fa7a26c --- /dev/null +++ b/ClassicDSD/notepadpp.xml @@ -0,0 +1,64 @@ + + + + + + + + 00// 01 02 03(* 04*) + + + + + + + + [ ] ( ) ; , < > { } * ^ | + - + + + + + + + + + + + directive sweeps simulator deterministic simulation sample time event fit parameters init spec module rate inference data spatial system plot_settings rates units simulations compilation def dom + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB.15^ B.16]:

" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB.15^ B.16]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "" 0.0 | +init "[p]:[tq^ d]:[td^ q]:[ta^]" 0.0 | +init "[p]:[tq^ d]{td^*}:[q ta^]" 0.0 | +init "[p]:[tq^ d]:[td^]:[q ta^]" 0.0 | +init "[p]{tq^*}:[d td^]:[q ta^]" 0.0 | +init "" 0.0 | +init "[tq^ d]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td^ q]" 0.0 | +init "" 0.0 | +init "

" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB.15^ B.16]:

" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" + "" <->{0.0003}{0.1126} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" | +"[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" ->{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" + "" + "" + "" | +"[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" <->{0.1126}{0.0003} "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" + "" | +"[tB.15^ B.16]:

[tq^]:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]{tq^*}:[q ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^]:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]{ta^*}:[a tq^]:[b tq^]:[c tB^]" 0.0 | +init "[tB^ B]:[tp^ p]:[tq^ q]:[ta^ a tq^ b tq^ c tB^]" 0.0 | +init "" 0.0 | +init "[p]:[tq^ d]:[td^ q]:[ta^]" 0.0 | +init "[p]:[tq^ d]{td^*}:[q ta^]" 0.0 | +init "[p]:[tq^ d]:[td^]:[q ta^]" 0.0 | +init "[p]{tq^*}:[d td^]:[q ta^]" 0.0 | +init "" 0.0 | +init "[tq^ d]" 0.0 | +init "" 0.0 | +init "" 0.0 | +init "[td^ q]" 0.0 | +init "" 0.0 | +init "