protected override void Context()
{
_identification = A.Fake <ParameterIdentification>();
_dimensionFactory = A.Fake <IDimensionFactory>();
_displayUnitRetriever = A.Fake <IDisplayUnitRetriever>();
A.CallTo(_dimensionFactory).WithReturnType <IDimension>().ReturnsLazily(x => x.Arguments.Get <IWithDimension>(0).Dimension);
_predictedVsObservedChart = new ParameterIdentificationPredictedVsObservedChart().WithAxes();
_observedConcentrationData = DomainHelperForSpecs.ObservedData();
_concentrationObservationColumn = _observedConcentrationData.FirstDataColumn();
_simulationData = DomainHelperForSpecs.IndividualSimulationDataRepositoryFor("Simulation");
_simulationColumn = _simulationData.FirstDataColumn();
_fractionObservedData = DomainHelperForSpecs.ObservedData();
_fractionObservationColumn = _fractionObservedData.FirstDataColumn();
_fractionObservationColumn.Dimension = DomainHelperForSpecs.NoDimension();
sut = new PredictedVsObservedChartService(_dimensionFactory, _displayUnitRetriever);
}
protected override void Context()
{
base.Context();
_noDimensionColumnForSimulation.Dimension = DomainHelperForSpecs.NoDimension();
_concentrationColumnForSimulation = DomainHelperForSpecs.ConcentrationColumnForSimulation("Simulation", _simulationData.BaseGrid);
_simulationData.Add(_concentrationColumnForSimulation);
_quantityWithNoDimension = A.Fake <IQuantity>();
_quantityWithConcentration = A.Fake <IQuantity>();
A.CallTo(() => _quantityWithNoDimension.Dimension).Returns(DomainHelperForSpecs.NoDimension());
A.CallTo(() => _quantityWithConcentration.Dimension).Returns(DomainHelperForSpecs.ConcentrationDimensionForSpecs());
var simulationQuantitySelection = A.Fake <SimulationQuantitySelection>();
var anotherQuantitySelection = A.Fake <SimulationQuantitySelection>();
var noDimensionOutputMapping = new OutputMapping {
OutputSelection = simulationQuantitySelection
};
var concentrationOutputMapping = new OutputMapping {
OutputSelection = anotherQuantitySelection
};
A.CallTo(() => simulationQuantitySelection.Quantity).Returns(_quantityWithNoDimension);
A.CallTo(() => anotherQuantitySelection.Quantity).Returns(_quantityWithConcentration);
_outputMappings = new[] { noDimensionOutputMapping, concentrationOutputMapping };
A.CallTo(() => _parameterIdentification.AllOutputMappings).Returns(_outputMappings);
_noDimensionDataColumn = _observationData.FirstDataColumn();
_noDimensionDataColumn.Dimension = DomainHelperForSpecs.NoDimension();
_concentrationDataColumn = new DataColumn("newColumn", DomainHelperForSpecs.ConcentrationDimensionForSpecs(), _observationData.BaseGrid);
_observationData.Add(_concentrationDataColumn);
A.CallTo(() => _parameterIdentification.AllObservationColumnsFor(_noDimensionColumnForSimulation.QuantityInfo.PathAsString)).Returns(new List <DataColumn> {
_noDimensionDataColumn, _concentrationDataColumn
});
A.CallTo(() => _parameterIdentification.AllObservedData).Returns(new[] { _observationData });
}
public void the_dimension_selected_to_plot_identity_curve_should_be_fraction()
{
_predictedVsObservedChart.AxisBy(AxisTypes.X).Dimension.ShouldBeEqualTo(DomainHelperForSpecs.NoDimension());
}
protected override void Context()
{
base.Context();
var solDim = new Dimension(new BaseDimensionRepresentation(), "Solubility", "m");
solDim.AddUnit(new Unit("cm", 0.01, 0));
_refPhValue = 7;
_solValue = 100;
_gainPerChargeValue = 1000;
A.CallTo(_formulaFactory).WithReturnType <TableFormula>().Returns(new TableFormula());
var solubilityTable = DomainHelperForSpecs.ConstantParameterWithValue(0).WithName(CoreConstants.Parameters.SOLUBILITY_TABLE).WithDimension(solDim);
var refPh = DomainHelperForSpecs.ConstantParameterWithValue(_refPhValue).WithName(CoreConstants.Parameters.REFERENCE_PH).WithDimension(DomainHelperForSpecs.NoDimension());
var solubilty = DomainHelperForSpecs.ConstantParameterWithValue(_solValue).WithName(CoreConstants.Parameters.SOLUBILITY_AT_REFERENCE_PH).WithDimension(solDim);
var gainPerCharge = DomainHelperForSpecs.ConstantParameterWithValue(_gainPerChargeValue).WithName(CoreConstants.Parameters.SOLUBILITY_GAIN_PER_CHARGE).WithDimension(DomainHelperForSpecs.NoDimension());
_solubility_pKa_pH_Factor = new PKSimParameter().WithName(CoreConstants.Parameters.SOLUBILITY_P_KA__P_H_FACTOR);
_solubility_pKa_pH_Factor.Formula = new ExplicitFormula("10 * (pH +1)");
_solubility_pKa_pH_Factor.Formula.AddObjectPath(new FormulaUsablePath(new[] { ObjectPath.PARENT_CONTAINER, CoreConstants.Parameters.REFERENCE_PH }).WithAlias("pH"));
_compoundForCalculation = new Compound {
refPh, solubilty, gainPerCharge, _solubility_pKa_pH_Factor
};
_solubilityAlternative = new ParameterAlternative {
refPh, solubilty, gainPerCharge, solubilityTable
};
var solubilityAlternativeGroup = new ParameterAlternativeGroup();
solubilityAlternativeGroup.AddAlternative(_solubilityAlternative);
_originalRefPh = DomainHelperForSpecs.ConstantParameterWithValue(_refPhValue).WithName(CoreConstants.Parameters.REFERENCE_PH).WithDimension(DomainHelperForSpecs.NoDimension());
_originalRefPh.Value = 4;
_compound = new Compound {
_originalRefPh
};
_compound.AddParameterAlternativeGroup(solubilityAlternativeGroup);
A.CallTo(() => _executionContext.Clone(_compound)).Returns(_compoundForCalculation);
}
protected override void Context()
{
base.Context();
_baseGrid = new BaseGrid("Time", DomainHelperForSpecs.NoDimension());
_baseGrid.Values = new float[] { 0, 1, 2 };
}
protected override void Context()
{
base.Context();
_compound = new Compound();
var solDim = new Dimension(new BaseDimensionRepresentation(), "Solubility", "m");
solDim.AddUnit(new Unit("cm", 0.01, 0));
_refPhValue = 7;
_solValue = 100;
_gainPerChargeValue = 1000;
A.CallTo(() => _formulaFactory.CreateTableFormula()).Returns(new TableFormula());
var refPh = DomainHelperForSpecs.ConstantParameterWithValue(_refPhValue).WithName(CoreConstants.Parameter.RefpH).WithDimension(DomainHelperForSpecs.NoDimension());
var solubilty = DomainHelperForSpecs.ConstantParameterWithValue(_solValue).WithName(CoreConstants.Parameter.SolubilityAtRefpH).WithDimension(solDim);
var gainPerCharge = DomainHelperForSpecs.ConstantParameterWithValue(_gainPerChargeValue).WithName(CoreConstants.Parameter.SolubilityGainPerCharge).WithDimension(DomainHelperForSpecs.NoDimension());
_solubility_pKa_pH_Factor = new PKSimParameter().WithName(CoreConstants.Parameter.SOLUBILITY_P_KA__P_H_FACTOR);
_solubility_pKa_pH_Factor.Formula = new ExplicitFormula("10 * (pH +1)");
_solubility_pKa_pH_Factor.Formula.AddObjectPath(new FormulaUsablePath(new[] { ObjectPath.PARENT_CONTAINER, CoreConstants.Parameter.RefpH }).WithAlias("pH"));
_compound.Add(refPh);
_compound.Add(solubilty);
_compound.Add(gainPerCharge);
_compound.Add(_solubility_pKa_pH_Factor);
_solubilityAlternative = new ParameterAlternative();
_solubilityAlternative.Add(refPh);
_solubilityAlternative.Add(solubilty);
_solubilityAlternative.Add(gainPerCharge);
var solubilityAlternativeGroup = new ParameterAlternativeGroup();
solubilityAlternativeGroup.AddAlternative(_solubilityAlternative);
_compound.AddParameterAlternativeGroup(solubilityAlternativeGroup);
}
