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);
}
protected override void Context()
{
_objectBaseFactory = A.Fake <IObjectBaseFactory>();
_cloner = A.Fake <ICloner>();
_speciesRepository = A.Fake <ISpeciesRepository>();
//necessary to create compound since default parameter willl be added to the group based on compound parameters
_compound = new Compound();
_compoundParameterGroup = new ParameterAlternativeGroup();
_compound.AddParameterAlternativeGroup(_compoundParameterGroup);
_userSettings = A.Fake <ICoreUserSettings>();
sut = new ParameterAlternativeFactory(_objectBaseFactory, _cloner, _speciesRepository, _userSettings);
}
protected override void Context()
{
base.Context();
//A compound with 2 lipo alternatives and MolWeight Eff
_compound = new CompoundFactoryForSpecs().Create();
var lipoGroup = new ParameterAlternativeGroup().WithName(CoreConstants.Groups.COMPOUND_LIPOPHILICITY);
_alternative1 = new ParameterAlternative().WithName("ALT1");
_alternative1.Add(DomainHelperForSpecs.ConstantParameterWithValue(1).WithName(CoreConstants.Parameters.LIPOPHILICITY));
lipoGroup.AddAlternative(_alternative1);
_alternative2 = new ParameterAlternative().WithName("ALT2");
_alternative2.Add(DomainHelperForSpecs.ConstantParameterWithValue(2).WithName(CoreConstants.Parameters.LIPOPHILICITY));
lipoGroup.AddAlternative(_alternative2);
_compound.AddParameterAlternativeGroup(lipoGroup);
}
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));
_solubilityTableFormula = new TableFormula();
var solubilityTable = DomainHelperForSpecs.ConstantParameterWithValue(0).WithName(CoreConstants.Parameters.SOLUBILITY_TABLE).WithDimension(solDim);
solubilityTable.Formula = _solubilityTableFormula;
_solubilityAlternative = new ParameterAlternative {
solubilityTable
};
var solubilityAlternativeGroup = new ParameterAlternativeGroup();
solubilityAlternativeGroup.AddAlternative(_solubilityAlternative);
_compound.AddParameterAlternativeGroup(solubilityAlternativeGroup);
}
protected override void Context()
{
base.Context();
_compound = new Compound();
var fuGroup = new ParameterAlternativeGroup().WithName(CoreConstants.Groups.COMPOUND_FRACTION_UNBOUND);
_fuAlternative = new ParameterAlternative().WithName("MyFu");
_fuAlternative.Add(DomainHelperForSpecs.ConstantParameterWithValue(0.2).WithName(CoreConstants.Parameter.FractionUnbound));
_fuAlternative.IsDefault = true;
fuGroup.AddAlternative(_fuAlternative);
_compound.AddParameterAlternativeGroup(fuGroup);
_template = new SystemicProcess();
_p1 = DomainHelperForSpecs.ConstantParameterWithValue(0.5).WithName(CoreConstants.Parameter.FRATION_UNBOUND_EXPERIMENT);
_p2 = DomainHelperForSpecs.ConstantParameterWithValue(0.9).WithName("toto");
_template.Add(_p1);
_template.Add(_p2);
_clone = new SystemicProcess();
_clone.Add(DomainHelperForSpecs.ConstantParameterWithValue(0.5).WithName(CoreConstants.Parameter.FRATION_UNBOUND_EXPERIMENT));
A.CallTo(() => _executionContext.Clone(_template)).Returns(_clone);
}
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);
}