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refs #8060 Unit test for MullerAnsatz
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Code/Mantid/Framework/MDAlgorithms/test/MullerAnsatzTest.h
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| #ifndef MANTID_MDALGORITHMS_MULLERANSATZTEST_H_ | ||
| #define MANTID_MDALGORITHMS_MULLERANSATZTEST_H_ | ||
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| #include "MantidMDAlgorithms/Quantification/Models/MullerAnsatz.h" | ||
| #include "MantidGeometry/Crystal/OrientedLattice.h" | ||
| #include "MDFittingTestHelpers.h" | ||
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| #include <cxxtest/TestSuite.h> | ||
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| class Strontium122Test : public CxxTest::TestSuite | ||
| { | ||
| private: | ||
| class FakeFGModelFitFunction : | ||
| public virtual Mantid::API::IFunctionMD, public virtual Mantid::API::ParamFunction | ||
| { | ||
| public: | ||
| FakeFGModelFitFunction(Mantid::MDAlgorithms::ForegroundModel & fgModel) | ||
| { | ||
| fgModel.setFunctionUnderMinimization(*this); | ||
| const size_t nparams = fgModel.nParams(); | ||
| for(size_t i = 0; i < nparams; ++i) | ||
| { | ||
| this->declareParameter(fgModel.parameterName(i), fgModel.getInitialParameterValue(i), | ||
| fgModel.parameterDescription(i)); | ||
| } | ||
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| setParameter("Amplitude", 0.7); | ||
| setParameter("J_coupling", 2.1); | ||
| } | ||
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| /// Returns the number of attributes associated with the function | ||
| virtual size_t nAttributes()const{return 2;} | ||
| /// Returns a list of attribute names | ||
| virtual std::vector<std::string> getAttributeNames()const | ||
| { | ||
| auto names = std::vector<std::string>(3); | ||
| names[0] = "IonName"; | ||
| names[1] = "ChainDirection"; | ||
| names[2] = "MagneticFFDirection"; | ||
| return names; | ||
| } | ||
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| std::string name() const { return "FakeFGModelFitFunction"; } | ||
| double functionMD(const Mantid::API::IMDIterator&) const | ||
| { | ||
| return 0.0; | ||
| } | ||
| }; | ||
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| public: | ||
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| void test_Initialized_Model_Has_two_Parameters() | ||
| { | ||
| using Mantid::MDAlgorithms::MullerAnsatz; | ||
| MullerAnsatz Cu2p; | ||
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| TS_ASSERT_EQUALS(Cu2p.nParams(), 0); | ||
| Cu2p.initialize(); | ||
| TS_ASSERT_EQUALS(Cu2p.nParams(), 2); | ||
| } | ||
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| void test_MANS_Has_DefaultIon_As_Cu2() | ||
| { | ||
| using Mantid::MDAlgorithms::MullerAnsatz; | ||
| using Mantid::MDAlgorithms::ForegroundModel; | ||
| MullerAnsatz Cu2Default; | ||
| Cu2Default.initialize(); | ||
| Cu2Default.setAttributeValue("Amplitude",0.67); | ||
| Cu2Default.setAttributeValue("J_coupling", 2.1); | ||
| double valueWithDefault = calculateTestModelWeight(Cu2Default); | ||
| TS_ASSERT_DELTA(0.016787062635810316, valueWithDefault, 1e-10); // Check the absolute value is correct | ||
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| MullerAnsatz Cu2Def; | ||
| Cu2Def.initialize(); | ||
| Cu2Def.setAttributeValue("IonName", "Cu2"); | ||
| Cu2Def.setAttributeValue("ChainDirection", MullerAnsatz::Along_c); | ||
| Cu2Def.setAttributeValue("MagneticFFDirection", MullerAnsatz::Isotropic); | ||
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| // Same test but set the ion to check they match | ||
| double valueWithAttrSet = calculateTestModelWeight(Cu2Def); | ||
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| TS_ASSERT_DELTA(valueWithDefault, valueWithAttrSet, 1e-10); | ||
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| } | ||
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| private: | ||
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| double calculateTestModelWeight(Mantid::MDAlgorithms::MullerAnsatz & model) | ||
| { | ||
| using Mantid::MDAlgorithms::ForegroundModel; | ||
| FakeFGModelFitFunction fakeFitFunction(model); // Use fit function to access current fit values | ||
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| const double qx(7.7), qy(6.5), qz(4.3), deltaE(3.3); | ||
| const double qOmega[4] = {qx, qy, qz, deltaE}; | ||
| Mantid::API::ExperimentInfo experimentDescr; | ||
| auto lattice = new Mantid::Geometry::OrientedLattice(5.51,12.298,5.57); | ||
| Mantid::Kernel::V3D uVec(9.800000e-03,9.996000e-01,9.700000e-03), | ||
| vVec(-3.460000e-02,-4.580000e-02,9.992000e-01); | ||
| lattice->setUFromVectors(uVec, vVec); | ||
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| experimentDescr.mutableSample().setOrientedLattice(lattice); | ||
| experimentDescr.mutableRun().addProperty("temperature_log", 6.0); | ||
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| double weight(-1.0); | ||
| const ForegroundModel & MulFunction = model; // scatteringIntensity is private concrete model | ||
| TS_ASSERT_THROWS_NOTHING( weight = MulFunction.scatteringIntensity(experimentDescr, std::vector<double>(qOmega, qOmega + 4)) ); | ||
| return weight; | ||
| } | ||
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| }; | ||
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| #endif // MANTID_MDALGORITHMS_STRONTIUM122_H_ |