private void exportToFolder(string exportFolder)
{
var defaultIndividual = _defaultIndividualRetriever.DefaultHuman();
var batchSimulation = new Simulation();
batchSimulation.Individual = new Individual
{
Age = defaultIndividual.Age,
Height = defaultIndividual.MeanHeight,
Species = defaultIndividual.Species.Name,
Population = defaultIndividual.Population.Name,
};
batchSimulation.Compounds.Add(new Compound {
Name = "Standard Molecule", Lipophilicity = 3, FractionUnbound = 0.1, MolWeight = 4E-7, SolubilityAtRefpH = 9999, RefpH = 7
});
var intrevanousBolus = new ApplicationProtocol {
CompoundName = "Standard Molecule", ApplicationType = CoreConstants.Application.Name.IntravenousBolus, Dose = 1, DoseUnit = "mg/kg", DosingInterval = DosingIntervals.Single.ToString()
};
batchSimulation.Configuration = new SimulationConfiguration {
Model = CoreConstants.Model.FourComp
};
batchSimulation.ApplicationProtocols.Add(intrevanousBolus);
var fourCompIvBolusMgPerKg = configurationFrom(batchSimulation);
batchSimulation.Configuration = new SimulationConfiguration {
Model = CoreConstants.Model.TwoPores
};
var twoPore = configurationFrom(batchSimulation);
batchSimulation.ApplicationProtocols.Clear();
intrevanousBolus.DoseUnit = "mg";
batchSimulation.ApplicationProtocols.Add(intrevanousBolus);
batchSimulation.Configuration = new SimulationConfiguration {
Model = CoreConstants.Model.FourComp
};
var fourCompIvBolusMg = configurationFrom(batchSimulation);
twoPore.SpatialStructure.Name = "Human 2 Pores";
twoPore.PassiveTransports.Name = "2 Pores Passive Transports";
fourCompIvBolusMgPerKg.SpatialStructure.Name = "Human Standard";
fourCompIvBolusMgPerKg.PassiveTransports.Name = "Standard Passive Transports";
fourCompIvBolusMgPerKg.EventGroups.Name = "IV Bolus";
fourCompIvBolusMgPerKg.Molecules.Name = "Standard Molecule";
fourCompIvBolusMgPerKg.Observers.Name = "Standard Observer";
fourCompIvBolusMg.EventGroups.Name = "IV Bolus (mg)";
var defaultCompound = fourCompIvBolusMgPerKg.Molecules.First();
defaultCompound.Name = string.Empty;
defaultCompound.Parameter(CoreConstants.Parameter.LIPOPHILICITY).Value = double.NaN;
defaultCompound.Parameter(CoreConstants.Parameter.MOLECULAR_WEIGHT).Value = double.NaN;
defaultCompound.Parameter(CoreConstants.Parameter.FractionUnbound).Value = double.NaN;
defaultCompound.Parameter(CoreConstants.Parameter.SolubilityAtRefpH).Value = double.NaN;
_moBiExportTask.UpdateObserverForAllFlag(fourCompIvBolusMgPerKg.Observers);
var buildingBlocks = new IBuildingBlock[]
{
twoPore.SpatialStructure, twoPore.PassiveTransports,
fourCompIvBolusMgPerKg.SpatialStructure, fourCompIvBolusMgPerKg.PassiveTransports, fourCompIvBolusMgPerKg.EventGroups, fourCompIvBolusMgPerKg.Molecules, fourCompIvBolusMgPerKg.Observers,
fourCompIvBolusMg.EventGroups
};
buildingBlocks.Each(bb => saveToPKML(bb, exportFolder));
}
private async Task exportToFolder(string exportFolder)
{
var project = new Project();
var individual = await _snapshotObjectCreator.DefaultIndividual();
project.Individuals = new[] { individual };
var compound = await _snapshotObjectCreator.StandardCompound(lipophilicity : 3, fractionUnbound : 0.1, molWeight : 400, name : "Standard Molecule");
compound.Name = "Standard Molecule";
project.Compounds = new[] { compound };
var intrevanousBolusMgPerKg = await _snapshotObjectCreator.SimpleProtocol(dose : 1, doseUnit : "mg/kg", applicationType : ApplicationTypes.IntravenousBolus);
var intrevanousBolusMg = await _snapshotObjectCreator.SimpleProtocol(dose : 1, doseUnit : "mg", applicationType : ApplicationTypes.IntravenousBolus);
project.Protocols = new[] { intrevanousBolusMgPerKg, intrevanousBolusMg };
var snapshotConfiguration = new SimulationConstruction
{
Individual = individual,
Compounds = new[] { compound },
Protocols = new [] { intrevanousBolusMgPerKg },
ModelName = CoreConstants.Model.FourComp,
};
var fourCompIvBolusMgPerKg = await configurationFrom(snapshotConfiguration);
snapshotConfiguration.ModelName = CoreConstants.Model.TwoPores;
var twoPore = await configurationFrom(snapshotConfiguration);
snapshotConfiguration.Protocols = new[] { intrevanousBolusMg };
snapshotConfiguration.ModelName = CoreConstants.Model.FourComp;
var fourCompIvBolusMg = await configurationFrom(snapshotConfiguration);
twoPore.SpatialStructure.Name = "Human 2 Pores";
twoPore.PassiveTransports.Name = "2 Pores Passive Transports";
fourCompIvBolusMgPerKg.SpatialStructure.Name = "Human Standard";
fourCompIvBolusMgPerKg.PassiveTransports.Name = "Standard Passive Transports";
fourCompIvBolusMgPerKg.EventGroups.Name = "IV Bolus";
fourCompIvBolusMgPerKg.Molecules.Name = "Standard Molecule";
fourCompIvBolusMgPerKg.Observers.Name = "Standard Observer";
fourCompIvBolusMg.EventGroups.Name = "IV Bolus (mg)";
var defaultCompound = fourCompIvBolusMgPerKg.Molecules.First();
defaultCompound.Name = string.Empty;
defaultCompound.Parameter(CoreConstants.Parameters.LIPOPHILICITY).Value = double.NaN;
defaultCompound.Parameter(CoreConstants.Parameters.MOLECULAR_WEIGHT).Value = double.NaN;
defaultCompound.Parameter(CoreConstants.Parameters.FRACTION_UNBOUND_PLASMA_REFERENCE_VALUE).Value = double.NaN;
defaultCompound.Parameter(CoreConstants.Parameters.SOLUBILITY_AT_REFERENCE_PH).Value = double.NaN;
_moBiExportTask.UpdateObserverForAllFlag(fourCompIvBolusMgPerKg.Observers);
var buildingBlocks = new IBuildingBlock[]
{
twoPore.SpatialStructure,
twoPore.PassiveTransports,
fourCompIvBolusMgPerKg.SpatialStructure,
fourCompIvBolusMgPerKg.PassiveTransports,
fourCompIvBolusMgPerKg.EventGroups,
fourCompIvBolusMgPerKg.Molecules,
fourCompIvBolusMgPerKg.Observers,
fourCompIvBolusMg.EventGroups
};
buildingBlocks.Each(bb => saveToPKML(bb, exportFolder));
}