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); }