public override void GlobalContext() { base.GlobalContext(); _induction = _cloneManager.Clone(_compoundProcessRepository.ProcessByName(CoreConstantsForSpecs.Process.INDUCTION).DowncastTo <InductionProcess>()); _induction.Name = "Induction"; _induction.Parameter(CoreConstantsForSpecs.Parameter.EC50).Value = 10; _compound.AddProcess(_induction); _irreversibleInhibiton = _cloneManager.Clone(_compoundProcessRepository.ProcessByName(CoreConstantsForSpecs.Process.IRREVERSIBLE_INHIBITION).DowncastTo <InhibitionProcess>()); _irreversibleInhibiton.Name = "IrreversibleProcess"; _irreversibleInhibiton.Parameter(CoreConstantsForSpecs.Parameter.KINACT).Value = 10; _compound.AddProcess(_irreversibleInhibiton); _simulation = DomainFactoryForSpecs.CreateModelLessSimulationWith(_individual, new[] { _compound }, new[] { _protocol }) .DowncastTo <IndividualSimulation>(); _simulation.CompoundPropertiesFor(_compound.Name) .Processes .MetabolizationSelection .AddPartialProcessSelection(new EnzymaticProcessSelection { CompoundName = _compound.Name, ProcessName = _metabolizationProcess.Name, MoleculeName = _enzyme.Name }); _simulation.InteractionProperties.AddInteraction(new InteractionSelection { CompoundName = _compound.Name, MoleculeName = _enzyme.Name, ProcessName = _induction.Name }); _simulation.InteractionProperties.AddInteraction(new InteractionSelection { CompoundName = _compound.Name, MoleculeName = _enzyme.Name, ProcessName = _irreversibleInhibiton.Name }); DomainFactoryForSpecs.AddModelToSimulation(_simulation); }
protected override Task Context() { sut = new ProcessMappingMapper(); _compound = new Compound { Name = "COMP", }; _enzymaticProcess = new EnzymaticProcess().WithName("MetaProcess"); _enzymaticProcessSelection = new EnzymaticProcessSelection { CompoundName = _compound.Name, MetaboliteName = "META", MoleculeName = "CYP", ProcessName = _enzymaticProcess.Name }; _specificBindingProcess = new SpecificBindingPartialProcess().WithName("BindingProcess"); _specificBindingPartialProcessSelection = new ProcessSelection { CompoundName = _compound.Name, MoleculeName = "BINDER", ProcessName = _specificBindingProcess.Name }; _transportSystemicProcess = new SystemicProcess { Name = "SystemicTransport", SystemicProcessType = SystemicProcessTypes.GFR }; _transportSystemicProcessSelection = new SystemicProcessSelection { CompoundName = _compound.Name, ProcessName = _transportSystemicProcess.Name, ProcessType = _transportSystemicProcess.SystemicProcessType }; _interactionProcess = new InductionProcess().WithName("InteractionProcess"); _interactionSelection = new InteractionSelection { CompoundName = _compound.Name, ProcessName = _interactionProcess.Name, MoleculeName = "INHIBITOR" }; _compound.AddProcess(_enzymaticProcess); _compound.AddProcess(_transportSystemicProcess); _compound.AddProcess(_interactionProcess); _compound.AddProcess(_specificBindingProcess); return(_completed); }
protected override void Context() { base.Context(); _moleculeMappable = new IndividualEnzyme().WithName("MoleculeMapped"); _moleculeAlreadySelected = new IndividualEnzyme().WithName("MoleculeAlreadySelected"); _moleculeNotMapped = new IndividualEnzyme().WithName("MoleculeNotMapped"); _inhibitionProcess1 = new InhibitionProcess().WithName("InhibitionProcess1"); _inhibitionProcess2 = new InhibitionProcess().WithName("InhibitionProcess2"); _inductionProcess1 = new InductionProcess().WithName("InductionProcess1"); _inhibitionProcess3 = new InhibitionProcess().WithName("InhibitionProcess3"); _individual.AddMolecule(_moleculeNotMapped); _individual.AddMolecule(_moleculeMappable); _individual.AddMolecule(_moleculeAlreadySelected); _compound.AddProcess(_inhibitionProcess1); _compound2 = new Compound().WithName("Comp2"); _compound2.AddProcess(_inhibitionProcess2); _inhibitionProcess2.MoleculeName = _moleculeMappable.Name; _compound2.AddProcess(_inhibitionProcess3); _inhibitionProcess3.MoleculeName = _moleculeMappable.Name; _compound2.AddProcess(_inductionProcess1); _inductionProcess1.MoleculeName = _moleculeMappable.Name; var interactionProperties = new InteractionProperties(); interactionProperties.AddInteraction(new InteractionSelection { MoleculeName = _moleculeAlreadySelected.Name, ProcessName = _inhibitionProcess1.Name, CompoundName = _compound.Name }); A.CallTo(() => _simulation.InteractionProperties).Returns(interactionProperties); A.CallTo(() => _simulation.Compounds).Returns(new[] { _compound, _compound2 }); }
protected override Task Context() { _solverSettingsMapper = A.Fake <SolverSettingsMapper>(); _outputSchemaMapper = A.Fake <OutputSchemaMapper>(); _outputSelectionMapper = A.Fake <OutputSelectionsMapper>(); _parameterMapper = A.Fake <ParameterMapper>(); _compoundPropertiesMapper = A.Fake <CompoundPropertiesMapper>(); _advancedParameterMapper = A.Fake <AdvancedParameterMapper>(); _eventMappingMapper = A.Fake <EventMappingMapper>(); _observerSetMappingMapper = A.Fake <ObserverSetMappingMapper>(); _curveChartMapper = A.Fake <SimulationTimeProfileChartMapper>(); _processMappingMapper = A.Fake <ProcessMappingMapper>(); _simulationFactory = A.Fake <ISimulationFactory>(); _executionContext = A.Fake <IExecutionContext>(); _simulationModelCreator = A.Fake <ISimulationModelCreator>(); _simulationBuildingBlockUpdater = A.Fake <ISimulationBuildingBlockUpdater>(); _modelPropertiesTask = A.Fake <IModelPropertiesTask>(); _simulationRunner = A.Fake <ISimulationRunner>(); _populationAnalysisChartMapper = A.Fake <PopulationAnalysisChartMapper>(); _simulationParameterOriginIdUpdater = A.Fake <ISimulationParameterOriginIdUpdater>(); _logger = A.Fake <ILogger>(); _containerTask = A.Fake <IContainerTask>(); _entityPathResolver = A.Fake <IEntityPathResolver>(); sut = new SimulationMapper(_solverSettingsMapper, _outputSchemaMapper, _outputSelectionMapper, _compoundPropertiesMapper, _parameterMapper, _advancedParameterMapper, _eventMappingMapper, _observerSetMappingMapper, _curveChartMapper, _populationAnalysisChartMapper, _processMappingMapper, _simulationFactory, _executionContext, _simulationModelCreator, _simulationBuildingBlockUpdater, _modelPropertiesTask, _simulationRunner, _simulationParameterOriginIdUpdater, _logger, _containerTask, _entityPathResolver ); _project = new PKSimProject(); _individual = new Individual { Name = "IND", Id = "IND" }; _compound = new Compound { Name = "COMP", Id = "COMP" }; _observerSet = new ObserverSet { Name = "OBS_SET", Id = "OBS_SET" }; _protocol = new SimpleProtocol { Name = "PROT", Id = "PROT" }; _inductionProcess = new InductionProcess().WithName("Interaction process"); _compound.AddProcess(_inductionProcess); _event = new PKSimEvent { Name = "Event" }; _population = new RandomPopulation() { Name = "POP" }; _observedData = new DataRepository("OBS_ID").WithName("OBS"); _project.AddBuildingBlock(_individual); _project.AddBuildingBlock(_compound); _project.AddBuildingBlock(_event); _project.AddBuildingBlock(_population); _project.AddBuildingBlock(_observerSet); _project.AddObservedData(_observedData); _simulationProperties = new SimulationProperties { ModelProperties = new ModelProperties { ModelConfiguration = new ModelConfiguration { ModelName = "4Comp" } } }; _interactionSelection = new InteractionSelection { ProcessName = _inductionProcess.Name }; _noInteractionSelection = new InteractionSelection { MoleculeName = "CYP2D6" }; _simulationProperties.InteractionProperties.AddInteraction(_interactionSelection); _simulationProperties.InteractionProperties.AddInteraction(_noInteractionSelection); _settings = new SimulationSettings(); _rootContainer = new Container().WithName("Sim"); _model = new OSPSuite.Core.Domain.Model { Root = _rootContainer }; _individualSimulation = new IndividualSimulation { Name = "S1", Properties = _simulationProperties, SimulationSettings = _settings, Description = "Simulation Description", Model = _model }; _simulationTimeProfile = new SimulationTimeProfileChart(); _snapshotSimulationTimeProfile = new CurveChart(); _individualSimulation.AddAnalysis(_simulationTimeProfile); A.CallTo(() => _curveChartMapper.MapToSnapshot(_simulationTimeProfile)).Returns(_snapshotSimulationTimeProfile); _populationSimulation = new PopulationSimulation { Properties = _simulationProperties, SimulationSettings = _settings, Model = _model }; _advancedParameterCollection = new AdvancedParameterCollection(); _populationSimulationAnalysisChart = new BoxWhiskerAnalysisChart(); _populationSimulation.SetAdvancedParameters(_advancedParameterCollection); _populationSimulation.AddAnalysis(_populationSimulationAnalysisChart); _populationSimulation.AddUsedBuildingBlock(new UsedBuildingBlock("IndTemplateId", PKSimBuildingBlockType.Individual) { BuildingBlock = _individual }); _snapshotPopulationAnalysisChart = new Snapshots.PopulationAnalysisChart(); A.CallTo(() => _populationAnalysisChartMapper.MapToSnapshot(_populationSimulationAnalysisChart)).Returns(_snapshotPopulationAnalysisChart); _snapshotInteraction = new CompoundProcessSelection(); A.CallTo(() => _processMappingMapper.MapToSnapshot(_interactionSelection)).Returns(_snapshotInteraction); _snapshotInteraction.CompoundName = _compound.Name; _snapshotInteraction.Name = _inductionProcess.Name; _noSelectionSnapshotInteraction = new CompoundProcessSelection(); A.CallTo(() => _processMappingMapper.MapToSnapshot(_noInteractionSelection)).Returns(_noSelectionSnapshotInteraction); _noSelectionSnapshotInteraction.MoleculeName = _noInteractionSelection.MoleculeName; _compoundProperties = new CompoundProperties(); _snapshotCompoundProperties = new Snapshots.CompoundProperties { Name = _compound.Name }; _individualSimulation.Properties.AddCompoundProperties(_compoundProperties); _eventMapping = new EventMapping(); _individualSimulation.EventProperties.AddEventMapping(_eventMapping); _observerSetMapping = new ObserverSetMapping(); _individualSimulation.ObserverSetProperties.AddObserverSetMapping(_observerSetMapping); A.CallTo(() => _compoundPropertiesMapper.MapToSnapshot(_compoundProperties, _project)).Returns(_snapshotCompoundProperties); _eventSelection = new EventSelection { Name = _event.Name, }; _observerSetSelection = new ObserverSetSelection { Name = _observerSet.Name, }; _individualSimulation.AddUsedBuildingBlock(new UsedBuildingBlock("IndTemplateId", PKSimBuildingBlockType.Individual) { BuildingBlock = _individual, Altered = true }); _individualSimulation.AddUsedBuildingBlock(new UsedBuildingBlock("CompTemplateId", PKSimBuildingBlockType.Compound) { BuildingBlock = _compound }); _individualSimulation.AddUsedBuildingBlock(new UsedBuildingBlock("ProtTemplateId", PKSimBuildingBlockType.Protocol) { BuildingBlock = _protocol }); _individualSimulation.AddUsedBuildingBlock(new UsedBuildingBlock("ObserveSetTemplateId", PKSimBuildingBlockType.ObserverSet) { BuildingBlock = _observerSet }); _populationSimulation.AddUsedBuildingBlock(new UsedBuildingBlock("PopTemplateId", PKSimBuildingBlockType.Population) { BuildingBlock = _population }); _individualSimulation.AddUsedObservedData(_observedData); A.CallTo(() => _eventMappingMapper.MapToSnapshot(_eventMapping, _project)).Returns(_eventSelection); A.CallTo(() => _observerSetMappingMapper.MapToSnapshot(_observerSetMapping, _project)).Returns(_observerSetSelection); _outputSelectionSnapshot = new OutputSelections(); A.CallTo(() => _outputSelectionMapper.MapToSnapshot(_individualSimulation.OutputSelections)).Returns(_outputSelectionSnapshot); A.CallTo(() => _processMappingMapper.MapToModel(_snapshotInteraction, _inductionProcess)).Returns(_interactionSelection); return(_completed); }