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#ifndef MANTID_SINQ_POLDICALCULATESPECTRUM2DTEST_H_
#define MANTID_SINQ_POLDICALCULATESPECTRUM2DTEST_H_
#include <cxxtest/TestSuite.h>
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidSINQ/PoldiCalculateSpectrum2D.h"
#include "MantidSINQ/PoldiUtilities/PoldiMockInstrumentHelpers.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace Mantid::Poldi;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
class PoldiCalculateSpectrum2DTest : public CxxTest::TestSuite
{
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
static PoldiCalculateSpectrum2DTest *createSuite() { return new PoldiCalculateSpectrum2DTest(); }
static void destroySuite( PoldiCalculateSpectrum2DTest *suite ) { delete suite; }
PoldiCalculateSpectrum2DTest()
{
FrameworkManager::Instance();
m_instrument = PoldiInstrumentAdapter_sptr(new FakePoldiInstrumentAdapter);
m_timeTransformer = PoldiTimeTransformer_sptr(new PoldiTimeTransformer(m_instrument));
}
void testSetTimeTransformer()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
spectrumCalculator.setTimeTransformer(m_timeTransformer);
TS_ASSERT_EQUALS(spectrumCalculator.m_timeTransformer, m_timeTransformer);
}
void testSetTimeTransformerFromInstrument()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
spectrumCalculator.setTimeTransformerFromInstrument(m_instrument);
TS_ASSERT(spectrumCalculator.m_timeTransformer);
}
void testSetDeltaT()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
TS_ASSERT_THROWS_NOTHING(spectrumCalculator.setDeltaT(2.0));
TS_ASSERT_EQUALS(spectrumCalculator.m_deltaT, 2.0);
TS_ASSERT_THROWS(spectrumCalculator.setDeltaT(0.0), std::invalid_argument);
TS_ASSERT_THROWS(spectrumCalculator.setDeltaT(-1.0), std::invalid_argument);
}
void testSetDeltaTFromWorkspace()
{
MatrixWorkspace_sptr ws = WorkspaceCreationHelper::Create2DWorkspace(1, 10);
for(size_t i = 0; i <= 10; ++i) {
ws->dataX(0)[i] = static_cast<double>(i);
}
TestablePoldiCalculateSpectrum2D spectrumCalculator;
spectrumCalculator.setDeltaTFromWorkspace(ws);
TS_ASSERT_EQUALS(spectrumCalculator.m_deltaT, 1.0);
MatrixWorkspace_sptr invalidWs = WorkspaceCreationHelper::Create2DWorkspace123(1, 1);
TS_ASSERT_THROWS(spectrumCalculator.setDeltaTFromWorkspace(invalidWs), std::invalid_argument);
}
void testIsValidDeltaT()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
TS_ASSERT_EQUALS(spectrumCalculator.isValidDeltaT(1.0), true);
TS_ASSERT_EQUALS(spectrumCalculator.isValidDeltaT(0.0), false);
TS_ASSERT_EQUALS(spectrumCalculator.isValidDeltaT(-1.0), false);
}
void testGetPeakCollection()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
TableWorkspace_sptr peakTable = PoldiPeakCollectionHelpers::createPoldiPeakTableWorkspace();
TS_ASSERT_THROWS_NOTHING(spectrumCalculator.getPeakCollection(peakTable));
PoldiPeakCollection_sptr collection = spectrumCalculator.getPeakCollection(peakTable);
TS_ASSERT_EQUALS(collection->peakCount(), peakTable->rowCount());
}
void testGetIntegratedPeakCollection()
{
PoldiPeakCollection_sptr testPeaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionMaximum();
TestablePoldiCalculateSpectrum2D spectrumCalculator;
// deltaT is not set, so this must fail
TS_ASSERT_THROWS(spectrumCalculator.getIntegratedPeakCollection(testPeaks), std::invalid_argument);
spectrumCalculator.setDeltaT(3.0);
// still fails, because time transformer is required.
TS_ASSERT_THROWS(spectrumCalculator.getIntegratedPeakCollection(testPeaks), std::invalid_argument);
spectrumCalculator.setTimeTransformer(m_timeTransformer);
// peak collection with some peaks, intensities are described by maximum,
// this is the "happy case".
TS_ASSERT_THROWS_NOTHING(spectrumCalculator.getIntegratedPeakCollection(testPeaks));
PoldiPeakCollection_sptr integratedTestPeaks = spectrumCalculator.getIntegratedPeakCollection(testPeaks);
// this should be a new peak collection
TS_ASSERT(integratedTestPeaks != testPeaks);
TS_ASSERT_EQUALS(integratedTestPeaks->peakCount(), testPeaks->peakCount());
// checking the actual integration result agains reference.
PoldiPeakCollection_sptr integratedReference = PoldiPeakCollectionHelpers::createPoldiPeakCollectionIntegral();
// compare result to relative error of 1e-6
compareIntensities(integratedTestPeaks, integratedReference, 1e-6);
// In case of integrated peaks nothing should happen
PoldiPeakCollection_sptr alreadyIntegratedPeaks(new PoldiPeakCollection(PoldiPeakCollection::Integral));
alreadyIntegratedPeaks->addPeak(PoldiPeak::create(2.0));
PoldiPeakCollection_sptr alreadyIntegratedResult = spectrumCalculator.getIntegratedPeakCollection(alreadyIntegratedPeaks);
TS_ASSERT(alreadyIntegratedResult != alreadyIntegratedPeaks);
TS_ASSERT_EQUALS(alreadyIntegratedResult->peakCount(), alreadyIntegratedPeaks->peakCount());
TS_ASSERT_EQUALS(alreadyIntegratedResult->peak(0)->d(), alreadyIntegratedPeaks->peak(0)->d());
// Where there's no profile function specified, the integration can not be performed.
PoldiPeakCollection_sptr noProfilePeaks(new PoldiPeakCollection);
TS_ASSERT_THROWS(spectrumCalculator.getIntegratedPeakCollection(noProfilePeaks), std::runtime_error);
// When there is no valid PoldiPeakCollection, the method also throws
PoldiPeakCollection_sptr invalidPeakCollection;
TS_ASSERT_THROWS(spectrumCalculator.getIntegratedPeakCollection(invalidPeakCollection), std::invalid_argument);
}
void testGetNormalizedPeakCollection()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
// first, test the failing cases
PoldiPeakCollection_sptr invalidPeakCollection;
TS_ASSERT_THROWS(spectrumCalculator.getNormalizedPeakCollection(invalidPeakCollection), std::invalid_argument);
// m_timeTransformer has not been assigned, so even a "good" PeakCollection will throw
PoldiPeakCollection_sptr testPeaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionMaximum();
TS_ASSERT_THROWS(spectrumCalculator.getNormalizedPeakCollection(testPeaks), std::invalid_argument);
spectrumCalculator.setTimeTransformer(m_timeTransformer);
// to verify the results, use actual results from after integration step
PoldiPeakCollection_sptr integratedPeaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionIntegral();
TS_ASSERT_THROWS_NOTHING(spectrumCalculator.getNormalizedPeakCollection(integratedPeaks));
PoldiPeakCollection_sptr normalizedPeaks = spectrumCalculator.getNormalizedPeakCollection(integratedPeaks);
PoldiPeakCollection_sptr normalizedReferencePeaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionNormalized();
compareIntensities(normalizedPeaks, normalizedReferencePeaks, 1.5e-6);
}
void testGetCountPeakCollection()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
// first, test the failing cases
PoldiPeakCollection_sptr invalidPeakCollection;
TS_ASSERT_THROWS(spectrumCalculator.getCountPeakCollection(invalidPeakCollection), std::invalid_argument);
// m_timeTransformer has not been assigned, so even a "good" PeakCollection will throw
PoldiPeakCollection_sptr testPeaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionNormalized();
TS_ASSERT_THROWS(spectrumCalculator.getCountPeakCollection(testPeaks), std::invalid_argument);
spectrumCalculator.setTimeTransformer(m_timeTransformer);
// to verify the results, use actual results from after integration step
PoldiPeakCollection_sptr normalizedPeaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionNormalized();
TS_ASSERT_THROWS_NOTHING(spectrumCalculator.getCountPeakCollection(normalizedPeaks));
PoldiPeakCollection_sptr integratedPeaks = spectrumCalculator.getCountPeakCollection(normalizedPeaks);
PoldiPeakCollection_sptr integratedReferencePeaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionIntegral();
compareIntensities(integratedPeaks, integratedReferencePeaks, 1.5e-6);
}
void testGetFunctionFromPeakCollection()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
PoldiPeakCollection_sptr peaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionNormalized();
boost::shared_ptr<Poldi2DFunction> poldi2DFunction = spectrumCalculator.getFunctionFromPeakCollection(peaks);
TS_ASSERT_EQUALS(poldi2DFunction->nFunctions(), peaks->peakCount());
for(size_t i = 0; i < poldi2DFunction->nFunctions(); ++i) {
IFunction_sptr rawFunction = poldi2DFunction->getFunction(i);
TS_ASSERT(boost::dynamic_pointer_cast<IFunction1DSpectrum>(rawFunction));
TS_ASSERT_EQUALS(rawFunction->parameterName(0), "Area");
TS_ASSERT_EQUALS(rawFunction->getParameter(0), peaks->peak(i)->intensity());
}
}
void testAddBackgroundFunctions()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
spectrumCalculator.initialize();
boost::shared_ptr<Poldi2DFunction> funDefault(new Poldi2DFunction);
TS_ASSERT_EQUALS(funDefault->nParams(), 0);
TS_ASSERT_EQUALS(funDefault->nFunctions(), 0);
spectrumCalculator.addBackgroundTerms(funDefault);
TS_ASSERT_EQUALS(funDefault->nParams(), 2);
TS_ASSERT_EQUALS(funDefault->nFunctions(), 2);
boost::shared_ptr<Poldi2DFunction> funLinear(new Poldi2DFunction);
spectrumCalculator.setProperty("FitConstantBackground", false);
spectrumCalculator.addBackgroundTerms(funLinear);
// Now there's only the linear term
TS_ASSERT_EQUALS(funLinear->nParams(), 1);
TS_ASSERT_EQUALS(funLinear->parameterName(0), "f0.A1");
TS_ASSERT_EQUALS(funLinear->nFunctions(), 1);
boost::shared_ptr<Poldi2DFunction> funConstant(new Poldi2DFunction);
spectrumCalculator.setProperty("FitConstantBackground", true);
spectrumCalculator.setProperty("FitLinearBackground", false);
spectrumCalculator.addBackgroundTerms(funConstant);
// Now there's only the constant term
TS_ASSERT_EQUALS(funConstant->nParams(), 1);
TS_ASSERT_EQUALS(funConstant->parameterName(0), "f0.A0");
TS_ASSERT_EQUALS(funConstant->nFunctions(), 1);
}
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private:
PoldiInstrumentAdapter_sptr m_instrument;
PoldiTimeTransformer_sptr m_timeTransformer;
void compareIntensities(PoldiPeakCollection_sptr first, PoldiPeakCollection_sptr second, double relativePrecision)
{
for(size_t i = 0; i < first->peakCount(); ++i) {
PoldiPeak_sptr peak = first->peak(i);
PoldiPeak_sptr referencePeak = second->peak(i);
std::stringstream strm;
strm << std::setprecision(15);
strm << "Error in Peak " << i << ": " << peak->intensity().value() << " != " << referencePeak->intensity().value();
TSM_ASSERT_DELTA(strm.str().c_str(), fabs(1.0 - peak->intensity().value()/referencePeak->intensity().value()), 0.0, relativePrecision);
}
}
class TestablePoldiCalculateSpectrum2D : public PoldiCalculateSpectrum2D
{
friend class PoldiCalculateSpectrum2DTest;
public:
TestablePoldiCalculateSpectrum2D() : PoldiCalculateSpectrum2D() { }
~TestablePoldiCalculateSpectrum2D() { }
};
};
#endif // MANTID_SINQ_POLDICALCULATESPECTRUM2DTEST_H_