private void createFractionOfDoseObserverForCompound(Simulation simulation, IObserverBuildingBlock observerBuildingBlock, Compound compound)
{
var compoundProperties = simulation.CompoundPropertiesFor(compound);
var processes = compoundProperties.Processes;
if (!compoundProperties.IsAdministered)
{
return;
}
if (_interactionTask.IsMetabolite(compound, simulation))
{
return;
}
//always add complex molecules if any
var moleculeNames = processes.SpecificBindingSelection.AllEnabledPartialProcesses().Select(x => x.ProductName(CoreConstants.Molecule.Complex)).ToList();
//Add sink metabolite
moleculeNames.AddRange(processes.MetabolizationSelection.AllEnabledPartialProcesses().OfType <EnzymaticProcessSelection>()
.Where(x => x.IsSink)
.Select(x => x.ProductName()));
if (!moleculeNames.Any())
{
return;
}
var observerName = CoreConstants.Observer.ObserverNameFrom(CoreConstants.Observer.FRACTION_OF_DOSE, compound.Name);
var fractionObserver = createFractionObserver(observerName, observerBuildingBlock, () => getFractionOfDoseFormula(observerBuildingBlock, compound));
moleculeNames.Each(fractionObserver.AddMoleculeName);
addLiverZoneObserversBasedOn(fractionObserver, observerBuildingBlock, compound);
}
private void createFractionOfDoseObserverForCompound(Simulation simulation, IObserverBuildingBlock observerBuildingBlock, Compound compound)
{
var compoundProperties = simulation.CompoundPropertiesFor(compound);
var processes = compoundProperties.Processes;
if (!compoundProperties.IsAdministered)
{
return;
}
if (_interactionTask.IsMetabolite(compound, simulation))
{
return;
}
//always add complex molecules if any
var moleculeNames = processes.SpecificBindingSelection.AllEnabledPartialProcesses().Select(x => x.ProductName(CoreConstants.Molecule.Complex)).ToList();
//Add sink metabolites
var enzymaticProcessProductNames = processes.MetabolizationSelection.AllEnabledPartialProcesses().OfType <EnzymaticProcessSelection>()
.Where(x => x.IsSink)
.Select(x => x.ProductName()).ToList();
moleculeNames.AddRange(enzymaticProcessProductNames);
if (!moleculeNames.Any())
{
return;
}
//Local fraction of dose observer defined per instance of the metabolization or specific binding process
var observerName = CoreConstants.Observer.ObserverNameFrom(CoreConstants.Observer.FRACTION_OF_DOSE, compound.Name);
var fractionObserver = createAmountFractionObserver(observerName, observerBuildingBlock, () => getFractionOfDoseFormula(observerBuildingBlock, compound));
moleculeNames.Each(fractionObserver.AddMoleculeName);
//Add liver zone specific observers based on this observer
addLiverZoneObserversBasedOn(fractionObserver, observerBuildingBlock, compound);
//Global fraction of dose observers. One per complex or binding process defined globally under organism
var totalFractionObserverName = CoreConstants.Observer.ObserverNameFrom(CoreConstants.Observer.TOTAL_FRACTION_OF_DOSE, compound.Name);
var totalFractionObserver = createContainerFractionObserver(totalFractionObserverName, observerBuildingBlock, () => getTotalFractionOfDoseFormula(observerBuildingBlock, compound, observerName));
totalFractionObserver.ContainerCriteria = Create.Criteria(x => x.With(Constants.ORGANISM));
moleculeNames.Each(totalFractionObserver.AddMoleculeName);
}
