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Refs #9445. Peak function now uses time units instead of d.
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Michael Wedel committed Jul 8, 2014
1 parent 7a7daa5 commit 3689239
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Showing 7 changed files with 34 additions and 27 deletions.
11 changes: 6 additions & 5 deletions Code/Mantid/Framework/SINQ/inc/MantidSINQ/PoldiUtilities/PoldiTimeTransformer.h
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Expand Up @@ -101,12 +101,13 @@ class MANTID_SINQ_DLL PoldiTimeTransformer
size_t detectorElementCount() const;

double dToTOF(double d) const;
double timeTransformedWidth(double widthD, size_t detectorIndex) const;
double timeTransformedCentre(double centreD, size_t detectorIndex) const;
double timeTransformedIntensity(double areaD, double centreD, size_t detectorIndex) const;
double detectorElementIntensity(double centreD, size_t detectorIndex) const;
double adjustedWidth(double widthT, size_t detectorIndex) const;
double adjustedCentre(double centreT, size_t detectorIndex) const;

double calculatedTotalIntensity(double centreD) const;
double adjustedIntensity(double area, double centreT, size_t detectorIndex) const;
double detectorElementIntensity(double centreT, size_t detectorIndex) const;

double calculatedTotalIntensity(double centreT) const;

protected:
std::vector<DetectorElementData_const_sptr> getDetectorElementData(const PoldiAbstractDetector_sptr &detector, const PoldiAbstractChopper_sptr &chopper);
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6 changes: 3 additions & 3 deletions Code/Mantid/Framework/SINQ/src/PoldiCalculateSpectrum2D.cpp
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Expand Up @@ -88,8 +88,8 @@ namespace Poldi

IFunction_sptr peakFunction = FunctionFactory::Instance().createFunction("PoldiSpectrumDomainFunction");
peakFunction->setParameter("Area", peak->intensity());
peakFunction->setParameter("Fwhm", peak->fwhm(PoldiPeak::AbsoluteD));
peakFunction->setParameter("Centre", peak->d());
peakFunction->setParameter("Fwhm", m_timeTransformer->dToTOF(peak->fwhm(PoldiPeak::AbsoluteD)));
peakFunction->setParameter("Centre", m_timeTransformer->dToTOF(peak->d()));

mdFunction->addFunction(peakFunction);
}
Expand Down Expand Up @@ -347,7 +347,7 @@ namespace Poldi

for(size_t i = 0; i < peakCollection->peakCount(); ++i) {
PoldiPeak_sptr peak = peakCollection->peak(i);
double calculatedIntensity = m_timeTransformer->calculatedTotalIntensity(peak->d());
double calculatedIntensity = m_timeTransformer->calculatedTotalIntensity(m_timeTransformer->dToTOF(peak->d()));

PoldiPeak_sptr normalizedPeak = peak->clone();
normalizedPeak->setIntensity(peak->intensity() / calculatedIntensity);
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6 changes: 3 additions & 3 deletions Code/Mantid/Framework/SINQ/src/PoldiUtilities/PoldiSpectrumDomainFunction.cpp
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Expand Up @@ -61,15 +61,15 @@ void PoldiSpectrumDomainFunction::function1DSpectrum(const API::FunctionDomain1D
* terminated by the position in the detector, so the index is stored.
*/
double fwhm = getParameter("Fwhm");
double fwhmT = m_timeTransformer->timeTransformedWidth(fwhm, index);
double fwhmT = m_timeTransformer->adjustedWidth(fwhm, index);
double fwhmChannel = fwhmT / m_deltaT;
double sigmaChannel = fwhmChannel / (2.0 * sqrt(2.0 * log(2.0)));

double centre = getParameter("Centre");
double centreT = m_timeTransformer->timeTransformedCentre(centre, index);
double centreT = m_timeTransformer->adjustedCentre(centre, index);

double area = getParameter("Area");
double areaT = m_timeTransformer->timeTransformedIntensity(area, centre, index);
double areaT = m_timeTransformer->adjustedIntensity(area, centre, index);

/* Once all the factors are all there, the calculation needs to be
* performed with one offset per chopper slit.
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20 changes: 10 additions & 10 deletions Code/Mantid/Framework/SINQ/src/PoldiUtilities/PoldiTimeTransformer.cpp
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Expand Up @@ -43,38 +43,38 @@ double PoldiTimeTransformer::dToTOF(double d) const
return m_detectorCenter.tof1A * d;
}

double PoldiTimeTransformer::timeTransformedWidth(double widthD, size_t detectorIndex) const
double PoldiTimeTransformer::adjustedWidth(double widthT, size_t detectorIndex) const
{
UNUSED_ARG(detectorIndex);

return dToTOF(widthD);// + m_detectorElementData[detectorIndex]->widthFactor() * 0.0;
return widthT;// + m_detectorElementData[detectorIndex]->widthFactor() * 0.0;
}

double PoldiTimeTransformer::timeTransformedCentre(double centreD, size_t detectorIndex) const
double PoldiTimeTransformer::adjustedCentre(double centreT, size_t detectorIndex) const
{
return dToTOF(centreD) * m_detectorElementData[detectorIndex]->timeFactor();
return centreT * m_detectorElementData[detectorIndex]->timeFactor();
}

double PoldiTimeTransformer::timeTransformedIntensity(double areaD, double centreD, size_t detectorIndex) const
double PoldiTimeTransformer::adjustedIntensity(double area, double centreT, size_t detectorIndex) const
{
return areaD * detectorElementIntensity(centreD, detectorIndex);
return area * detectorElementIntensity(centreT, detectorIndex);
}

double PoldiTimeTransformer::detectorElementIntensity(double centreD, size_t detectorIndex) const
double PoldiTimeTransformer::detectorElementIntensity(double centreT, size_t detectorIndex) const
{
double lambda = dToTOF(centreD) * m_detectorElementData[detectorIndex]->lambdaFactor();
double lambda = centreT * m_detectorElementData[detectorIndex]->lambdaFactor();
double intensity = m_spectrum->intensity(lambda) * m_detectorElementData[detectorIndex]->intensityFactor();

return intensity * (1.0 - exp(-m_detectorEfficiency * lambda));
}

double PoldiTimeTransformer::calculatedTotalIntensity(double centreD) const
double PoldiTimeTransformer::calculatedTotalIntensity(double centreT) const
{
double sum = 0.0;
double chopperSlitFactor = static_cast<double>(m_chopperSlits);

for(size_t i = 0; i < m_detectorElementData.size(); ++i) {
sum += chopperSlitFactor * detectorElementIntensity(centreD, i);
sum += chopperSlitFactor * detectorElementIntensity(centreT, i);
}

return sum;
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1 change: 1 addition & 0 deletions Code/Mantid/Framework/SINQ/test/PoldiCalculateSpectrum2DTest.h
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Expand Up @@ -163,6 +163,7 @@ class PoldiCalculateSpectrum2DTest : public CxxTest::TestSuite
void testGetFunctionFromPeakCollection()
{
TestablePoldiCalculateSpectrum2D spectrumCalculator;
spectrumCalculator.setTimeTransformer(m_timeTransformer);
PoldiPeakCollection_sptr peaks = PoldiPeakCollectionHelpers::createPoldiPeakCollectionNormalized();

boost::shared_ptr<Poldi2DFunction> poldi2DFunction = spectrumCalculator.getFunctionFromPeakCollection(peaks);
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9 changes: 7 additions & 2 deletions Code/Mantid/Framework/SINQ/test/PoldiSpectrumDomainFunctionTest.h
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Expand Up @@ -107,8 +107,13 @@ class PoldiSpectrumDomainFunctionTest : public CxxTest::TestSuite
TestablePoldiSpectrumDomainFunction function;
function.initialize();
function.setParameter("Area", 1.9854805);
function.setParameter("Fwhm", 0.0027446316797104233);
function.setParameter("Centre", 1.1086444);

int detectorCentre = static_cast<int>(m_detector->centralElement());
double flightPath = m_detector->distanceFromSample(detectorCentre) + m_chopper->distanceFromSample();
double sinTheta = sin(m_detector->twoTheta(detectorCentre) / 2.0);

function.setParameter("Fwhm", Conversions::dtoTOF(0.0027446316797104233, flightPath, sinTheta));
function.setParameter("Centre", Conversions::dtoTOF(1.1086444, flightPath, sinTheta));

function.initializeInstrumentParameters(m_instrument);
function.m_deltaT = 3.0;
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8 changes: 4 additions & 4 deletions Code/Mantid/Framework/SINQ/test/PoldiTimeTransformerTest.h
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Expand Up @@ -108,7 +108,7 @@ class PoldiTimeTransformerTest : public CxxTest::TestSuite
TestablePoldiTimeTransformer function;
function.initializeFromPoldiInstrument(m_instrument);

TS_ASSERT_DELTA(function.timeTransformedWidth(fwhm, 342) / deltaT, 4.526804, 1e-5);
TS_ASSERT_DELTA(function.adjustedWidth(function.dToTOF(fwhm), 342) / deltaT, 4.526804, 1e-5);
}

void testTimeTransformedCentre()
Expand All @@ -118,7 +118,7 @@ class PoldiTimeTransformerTest : public CxxTest::TestSuite
TestablePoldiTimeTransformer function;
function.initializeFromPoldiInstrument(m_instrument);

TS_ASSERT_DELTA(function.timeTransformedCentre(centre, 342), 5964.820800781, 1e-3);
TS_ASSERT_DELTA(function.adjustedCentre(function.dToTOF(centre), 342), 5964.820800781, 1e-3);
}

void testTimeTransformedIntensity()
Expand All @@ -129,7 +129,7 @@ class PoldiTimeTransformerTest : public CxxTest::TestSuite
TestablePoldiTimeTransformer function;
function.initializeFromPoldiInstrument(m_instrument);

TS_ASSERT_DELTA(function.timeTransformedIntensity(areaD, centre, 342), 4.611182, 1e-5);
TS_ASSERT_DELTA(function.adjustedIntensity(areaD, function.dToTOF(centre), 342), 4.611182, 1e-5);
}

void TestCalculatedTotalIntensity()
Expand All @@ -140,7 +140,7 @@ class PoldiTimeTransformerTest : public CxxTest::TestSuite
function.initializeFromPoldiInstrument(m_instrument);
function.m_chopperSlits = 8;

TS_ASSERT_DELTA(fabs(1.0 - function.calculatedTotalIntensity(centre)/8220.165039062), 0.0, 1e-7);
TS_ASSERT_DELTA(fabs(1.0 - function.calculatedTotalIntensity(function.dToTOF(centre))/8220.165039062), 0.0, 1e-7);
}


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