private static MoleculeBuilder createMoleculeBuilder(string moleculeName) { var drug = new MoleculeBuilder().WithName(moleculeName); drug.AddParameter(new Parameter().WithName("MoleculeProperty").WithFormula(new ConstantFormula(1)).WithMode(ParameterBuildMode.Global)); drug.AddParameter(new Parameter().WithName("NaNParameter").WithFormula(new ConstantFormula(double.NaN)).WithMode(ParameterBuildMode.Global)); return(drug); }
public void TestSerialization() { MoleculeBuilder x1 = CreateObject <MoleculeBuilder>().WithName("Monica.Builder"); x1.IsFloating = true; x1.QuantityType = QuantityType.Metabolite; x1.DefaultStartFormula = CreateObject <ConstantFormula>().WithDimension(DimensionLength).WithValue(23.4); TransportBuilder t1 = CreateObject <TransportBuilder>().WithName("Passive Transport"); IFormula consFormula = CreateObject <ConstantFormula>().WithDimension(DimensionLength).WithValue(5); IParameter transporterParameter = CreateObject <Parameter>().WithName("Passive Transport Param").WithFormula(consFormula).WithMode(ParameterBuildMode.Property) .WithDimension(DimensionLength); t1.AddParameter(transporterParameter); IFormula f1 = CreateObject <ExplicitFormula>().WithDimension(DimensionLength).WithFormulaString("3*Patty"); IFormulaUsablePath fup = new FormulaUsablePath(new[] { "Patricia" }).WithAlias("Patty").WithDimension(DimensionLength); f1.AddObjectPath(fup); IParameter p1 = CreateObject <Parameter>().WithName("Patricia").WithFormula(f1).WithValue(3.1).WithMode(ParameterBuildMode.Property); IParameter p2 = CreateObject <Parameter>().WithName("Pascal").WithFormula(f1).WithValue(3.2).WithMode(ParameterBuildMode.Local); IParameter p3 = CreateObject <Parameter>().WithName("Paul").WithFormula(f1).WithValue(3.3); x1.AddParameter(p1); x1.AddParameter(p2); var atbc1 = CreateObject <TransporterMoleculeContainer>().WithName("Tranquilo"); ITransportBuilder atb1 = CreateObject <TransportBuilder>(); atb1.Formula = CreateObject <ConstantFormula>().WithDimension(DimensionLength).WithValue(2.5); atb1.AddParameter(p3); atb1.Name = "Tranquilo"; atbc1.AddActiveTransportRealization(atb1); var atbc2 = CreateObject <TransporterMoleculeContainer>().WithName("Tranquilo2"); ITransportBuilder atb2 = CreateObject <TransportBuilder>(); atb2.Formula = f1; atb2.Name = "Tranquilo2"; atbc2.AddActiveTransportRealization(atb2); x1.AddTransporterMoleculeContainer(atbc1); x1.AddTransporterMoleculeContainer(atbc2); x1.IsXenobiotic = !x1.IsXenobiotic; var interactionContainer = CreateObject <InteractionContainer>().WithName("Interactions"); x1.AddInteractionContainer(interactionContainer); var x2 = SerializeAndDeserialize(x1); AssertForSpecs.AreEqualMoleculeBuilder(x1, x2); }
protected override void Context() { base.Context(); var container = new Container { Mode = ContainerMode.Physical, Name = "containerName" }; var subContainer = new Container { Mode = ContainerMode.Physical, Name = "subContainerName" }; subContainer.Add(new Parameter { Name = "containerParameter" }); container.Add(subContainer); _spatialStructure.AddTopContainer(container); var builder = new MoleculeBuilder { Name = "C1" }; builder.AddParameter(new Parameter { BuildMode = ParameterBuildMode.Local, Name = "localParameter" }); _moleculeBuildingBlock.Add(builder); }
protected override void Context() { base.Context(); var builder = new MoleculeBuilder { Name = "C1" }; builder.AddParameter(new Parameter { BuildMode = ParameterBuildMode.Local, Name = "localParameter" }); _moleculeBuildingBlock.Add(builder); }
protected override void Context() { _quantity = _parameter; base.Context(); var moleculeBuilder = new MoleculeBuilder(); moleculeBuilder.AddParameter(_parameter); var moleculeBuildingBlock = new MoleculeBuildingBlock { moleculeBuilder }; _buildingBlockInfo.UntypedBuildingBlock = moleculeBuildingBlock; }
protected override void Context() { base.Context(); _parameter = new Parameter() .WithName("P") .WithMode(_parameterBuildMode) .WithParentContainer(new Container().WithName("Drug")); var moleculeBuilder = new MoleculeBuilder().WithName("Drug"); var parameterBuilder = new Parameter() .WithName(_parameter.Name) .WithMode(_parameterBuildMode); moleculeBuilder.AddParameter(parameterBuilder); _moleculeBuidingBlock.Add(moleculeBuilder); }
protected override void Context() { base.Context(); var moleculeBuildingBlock1 = new MoleculeBuildingBlock().WithName("X"); moleculeBuildingBlock1.Version = 1; var moleculeBuilderA = new MoleculeBuilder().WithName("MSVa"); moleculeBuilderA.AddParameter(new Parameter().WithMode(ParameterBuildMode.Local)); moleculeBuildingBlock1.Add(moleculeBuilderA); var moleculeBuildingBlock2 = new MoleculeBuildingBlock().WithName("X"); moleculeBuildingBlock2.Version = 1; moleculeBuilderA = new MoleculeBuilder().WithName("MSVa"); moleculeBuildingBlock2.Add(moleculeBuilderA); _object1 = moleculeBuildingBlock1; _object2 = moleculeBuildingBlock2; }