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);
        }
Esempio n. 3
0
        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);
        }
Esempio n. 4
0
        protected override void Context()
        {
            base.Context();
            var builder = new MoleculeBuilder {
                Name = "C1"
            };

            builder.AddParameter(new Parameter {
                BuildMode = ParameterBuildMode.Local, Name = "localParameter"
            });

            _moleculeBuildingBlock.Add(builder);
        }
Esempio n. 5
0
        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;
        }