public IReadOnlyList <SimulationPartialProcess> AllFor <TIndividualMolecule, TPartialProcess>(Simulation simulation, Compound compound,
IReadOnlyList <IPartialProcessMapping> processSelections, bool addDefaultPartialProcess)
where TIndividualMolecule : IndividualMolecule
where TPartialProcess : PartialProcess
{
var allSimulationPartialProcesses = new List <SimulationPartialProcess>();
var individual = simulation.Individual;
var allIndividualMolecules = individual.AllMolecules <TIndividualMolecule>().Where(moleculeWasDefinedByUser).ToList();
var allProcesses = compound.AllProcesses <TPartialProcess>().ToList();
var steps = new List <Func <TIndividualMolecule, IEnumerable <TPartialProcess>, IEnumerable <IPartialProcessMapping>, IEnumerable <SimulationPartialProcess> > > {
addExistingProcessSelection
};
if (addDefaultPartialProcess)
{
steps.Add(addDefaultProcessForMolecule);
}
steps.Add(addNotSelectedPartialProcess);
foreach (var individualMolecule in allIndividualMolecules)
{
allSimulationPartialProcesses.AddRange(allPartialProcessesFor(individualMolecule, allProcesses, processSelections, steps));
}
return(allSimulationPartialProcesses);
}
public virtual void EditProcessesIn(Simulation simulation, CompoundProperties compoundProperties)
{
_simulation = simulation;
_compound = compoundProperties.Compound;
_compoundProperties = compoundProperties;
_notSelectedSystemicProcess = new NotSelectedSystemicProcess();
_notAvailableSystemicProcess = new NotAvailableSystemicProcess();
_allPartialProcesses = _compound.AllProcesses <TPartialProcess>();
var partialProcessSelection = ProcessSelectionGroup().AllPartialProcesses();
_selectedProcesses = _partialProcessRetriever.AllFor <TMolecule, TPartialProcess>(simulation, _compound, partialProcessSelection, addDefaultPartialProcess: true);
_allPartialProcessesDTO = MapPartialProcesses(_selectedProcesses).ToList();
createSystemicProcessesFor(simulation);
_view.BindToPartialProcesses(_allPartialProcessesDTO);
_view.BindToSystemicProcesses(_allSystemicProcessesDTO);
ValidateProcessSelection();
//this needs to be done after binding to the processes, since binding affects the height of the view
_view.AdjustHeight();
}
public void Visit(Compound compound)
{
var allSystemicProcesses = compound.AllProcesses <SystemicProcess>();
allSystemicProcesses.Each(sp =>
{
sp.DataSource = sp.Name;
sp.RefreshName();
});
}
private void updatePartialProcessKineticAccordingToTemplate(Compound compound)
{
foreach (var partialProcess in compound.AllProcesses <PartialProcess>().ToList())
{
if (partialProcess.InternalName.Contains("Hill"))
{
continue;
}
//remove the old partial process that needs to be updated
compound.RemoveChild(partialProcess);
var templateProcess = _compoundProcessRepository.All <PartialProcess>().FindByName(partialProcess.InternalName);
bool wasInhibitionProcess = false;
//process does not exist anymore such as Inhibition. convert to non inhibition
if (templateProcess == null)
{
var processInternalName = partialProcess.InternalName.Replace("CompetitiveInhibition_", string.Empty);
templateProcess = _compoundProcessRepository.All <PartialProcess>().FindByName(processInternalName);
wasInhibitionProcess = true;
}
if (templateProcess == null)
{
continue;
}
//This updates all local properites from the parital process such as molecule name etc..
var cloneDbProcess = _cloner.Clone(templateProcess);
cloneDbProcess.UpdatePropertiesFrom(partialProcess, _cloner);
compound.Add(cloneDbProcess);
if (wasInhibitionProcess)
{
cloneDbProcess.Description = PKSimConstants.Warning.StaticInhibitionRemovedFromApplication(templateProcess.Description);
cloneDbProcess.InternalName = templateProcess.InternalName;
}
foreach (var parameter in partialProcess.AllParameters())
{
var newParameter = cloneDbProcess.Parameter(parameter.Name);
if (newParameter == null)
{
continue;
}
//make sure we have the same parameter id as before to ensure smooth update commit
newParameter.Id = parameter.Id;
_parameterSetUpdater.UpdateValue(parameter, newParameter);
//this needs to be done after udpdate value as the Update value also sets the origin
newParameter.Origin.ParameterId = parameter.Origin.ParameterId;
}
}
}
public void should_have_set_the_name_of_the_data_source_in_all_systemic_processes()
{
var allSystemicProcesses = _compound.AllProcesses <SystemicProcess>().ToList();
allSystemicProcesses.Count.ShouldBeGreaterThan(0);
foreach (var process in allSystemicProcesses)
{
process.DataSource.ShouldNotBeNull();
}
}
public override void GlobalContext()
{
base.GlobalContext();
LoadProject("IsDefaultConversion_722");
_compound = First <Compound>();
_formulation = First <Formulation>();
_event = First <PKSimEvent>();
_simpleProtocol = First <SimpleProtocol>();
_advancedProtocol = First <AdvancedProtocol>();
_tubularSecretionProcess = _compound.AllProcesses().FirstOrDefault();
}
private void convertSystemicProcesses(Compound compound)
{
var allSystemicProcesses = compound.AllProcesses <SystemicProcess>()
.Where(p => p.ContainsName(ConverterConstants.Parameter.Lipophilicity)).ToList();
foreach (var systemicProcess in allSystemicProcesses)
{
var lipo = systemicProcess.Parameter(ConverterConstants.Parameter.Lipophilicity);
lipo.Visible = true;
lipo.Name = CoreConstants.Parameter.LIPOPHILICITY_EXPERIMENT;
updateLipophilicityReferences(systemicProcess, ConverterConstants.Parameter.BloodPlasmaConcentrationRatio);
updateLipophilicityReferences(systemicProcess, ConverterConstants.Parameter.PartitionCoefficientWwaterProtein);
}
}
private IReadOnlyList <RemoteTemplate> metabolitesFor(RemoteTemplate remoteTemplate, Compound compound)
{
//This will for now assume that the metabolite template are in the same file
return(compound.AllProcesses <EnzymaticProcess>()
.Select(x => x.MetaboliteName)
.Where(x => x.StringIsNotEmpty())
.Distinct()
.Select(meta => new RemoteTemplate
{
Url = remoteTemplate.Url,
Type = TemplateType.Compound,
Name = meta
})
.ToList());
}
public SystemicProcessDTO MapFrom(SystemicProcess systemicProcess, Compound compound)
{
var systemicProcessDTO = new SystemicProcessDTO(systemicProcess)
{
ContainerType = _objectTypeResolver.TypeFor(compound),
Compound = compound,
SystemicProcessType = systemicProcess.SystemicProcessType.DisplayName,
DataSource = systemicProcess.DataSource,
Species = systemicProcess.Species,
Description = systemicProcess.Description
};
systemicProcessDTO.AddUsedNames(compound.AllProcesses <CompoundProcess>().Select(x => x.Name));
return(systemicProcessDTO);
}
private void removeOldStaticInhibitionReferences(ProcessSelectionGroup processSelectionGroup, Compound compound, List <string> oldMappedInhibitionProcessList)
{
var allInhibitionProcesses = compound.AllProcesses <PartialProcess>().Where(x => x.InternalName.Contains("Inhibition"));
foreach (var inhibitionProcess in allInhibitionProcesses)
{
var inhibitionSelection = processSelectionGroup.AllPartialProcesses()
.FirstOrDefault(x => string.Equals(x.ProcessName, inhibitionProcess.Name));
if (inhibitionSelection == null)
{
continue;
}
processSelectionGroup.RemovePartialProcessSelection(inhibitionSelection);
oldMappedInhibitionProcessList.Add(inhibitionProcess.Name);
}
}
public IPKSimCommand RenameMoleculeForPartialProcessesIn(Compound compound, string moleculeName, Type partialProcessType)
{
var allProcessesToRename = compound.AllProcesses <PartialProcess>()
.Where(x => processTypesAreEqual(x.GetType(), partialProcessType))
.Where(x => string.Equals(moleculeName, x.MoleculeName))
.ToList();
using (var renameDataSourcePresenter = _applicationController.Start <IRenamePartialProcessesMoleculePresenter>())
{
renameDataSourcePresenter.AllProcessesToRename = allProcessesToRename;
if (!renameDataSourcePresenter.Edit(compound))
{
return(new PKSimEmptyCommand());
}
return(new RenameMoleculeInPartialProcessesCommand(allProcessesToRename, renameDataSourcePresenter.NewMoleculeName, _executionContext).Run(_executionContext));
}
}
private void addInteractionParameters(Compound compound, IMoleculeBuilder drug, InteractionProperties interactionProperties)
{
foreach (var interactionProcess in compound.AllProcesses <InteractionProcess>())
{
if (!shouldGenerateInteractionContainer(interactionProperties, interactionProcess))
{
continue;
}
var interactionContainer = _objectBaseFactory.Create <InteractionContainer>()
.WithIcon(interactionProcess.Icon)
.WithName(interactionProcess.InternalName);
//only add global pamrameters to the intercation container
_parameterContainerTask.AddProcessBuilderParametersTo(interactionContainer);
_parameterSetUpdater.UpdateValuesByName(interactionProcess, interactionContainer);
interactionContainer.Name = interactionProcess.Name;
drug.AddInteractionContainer(interactionContainer);
}
}
private void addPartialProcesses <TPartialProcess, TIndividualMolecule, TProcessSelection>(Compound compound, Individual individual, ProcessSelectionGroup processSelectionGroup)
where TPartialProcess : PartialProcess
where TIndividualMolecule : IndividualMolecule
where TProcessSelection : ProcessSelection, new()
{
//default mapping with processes: Mapping done only by name
foreach (var process in compound.AllProcesses <TPartialProcess>())
{
var molecule = individual.MoleculeByName <TIndividualMolecule>(process.MoleculeName);
//enzyme not found in individual
if (molecule == null)
{
continue;
}
processSelectionGroup.AddPartialProcessSelection(new TProcessSelection {
ProcessName = process.Name, MoleculeName = molecule.Name, CompoundName = compound.Name
});
}
}
private void addPartialProcessesToView <TPartialProcess>(RootNodeType parentNodeType) where TPartialProcess : PartialProcess
{
_compound.AllProcesses <TPartialProcess>().Each(p => addPartialProcessToView(p, parentNodeType));
}
