/**
* Initializes chopper offsets and time transformer
*
* In this method, the instrument dependent parameter for the calculation are
* setup, so that a PoldiTimeTransformer is available to transfer parameters to
* the time domain using correct factors etc.
*
* @param poldiInstrument :: Valid PoldiInstrumentAdapter
*/
void PoldiSpectrumDomainFunction::initializeInstrumentParameters(
const PoldiInstrumentAdapter_sptr &poldiInstrument) {
m_timeTransformer = boost::make_shared<PoldiTimeTransformer>(poldiInstrument);
m_chopperSlitOffsets = getChopperSlitOffsets(poldiInstrument->chopper());
if (!poldiInstrument) {
throw std::runtime_error("No valid POLDI instrument.");
}
m_2dHelpers.clear();
PoldiAbstractDetector_sptr detector = poldiInstrument->detector();
PoldiAbstractChopper_sptr chopper = poldiInstrument->chopper();
std::pair<double, double> qLimits = detector->qLimits(1.1, 5.0);
double dMin = Conversions::qToD(qLimits.second);
double dMax = Conversions::dToQ(qLimits.first);
for (int i = 0; i < static_cast<int>(detector->elementCount()); ++i) {
double sinTheta = sin(detector->twoTheta(i) / 2.0);
double distance =
detector->distanceFromSample(i) + chopper->distanceFromSample();
double deltaD = Conversions::TOFtoD(m_deltaT, distance, sinTheta);
Poldi2DHelper_sptr curr = boost::make_shared<Poldi2DHelper>();
curr->setChopperSlitOffsets(distance, sinTheta, deltaD,
m_chopperSlitOffsets);
curr->setDomain(dMin, dMax, deltaD);
curr->deltaD = deltaD;
curr->minTOFN = static_cast<int>(
Conversions::dtoTOF(dMin, distance, sinTheta) / m_deltaT);
curr->setFactors(m_timeTransformer, static_cast<size_t>(i));
m_2dHelpers.push_back(curr);
}
}
void PoldiAnalyseResiduals::exec() {
DataObjects::Workspace2D_sptr measured = getProperty("MeasuredCountData");
DataObjects::Workspace2D_sptr calculated = getProperty("FittedCountData");
PoldiInstrumentAdapter_sptr poldiInstrument =
boost::make_shared<PoldiInstrumentAdapter>(measured);
// Dead wires need to be taken into account
PoldiAbstractDetector_sptr deadWireDetector =
boost::make_shared<PoldiDeadWireDecorator>(measured->getInstrument(),
poldiInstrument->detector());
// Since the valid workspace indices are required for some calculations, we
// extract and keep them
const std::vector<int> &validWorkspaceIndices =
deadWireDetector->availableElements();
// Subtract calculated from measured to get residuals
DataObjects::Workspace2D_sptr residuals =
calculateResidualWorkspace(measured, calculated);
// Normalize residuals so that they are 0.
normalizeResiduals(residuals, validWorkspaceIndices);
// Residual correlation core which will be used iteratively.
PoldiResidualCorrelationCore core(g_log, 0.1);
core.setInstrument(deadWireDetector, poldiInstrument->chopper());
double lambdaMin = getProperty("LambdaMin");
double lambdaMax = getProperty("LambdaMax");
core.setWavelengthRange(lambdaMin, lambdaMax);
// One iteration is always necessary
DataObjects::Workspace2D_sptr sum = core.calculate(residuals, calculated);
// For keeping track of the relative changes the sum of measured counts is
// required
double sumOfMeasuredCounts = sumCounts(measured, validWorkspaceIndices);
double relativeChange = relativeCountChange(sum, sumOfMeasuredCounts);
int iteration = 1;
logIteration(iteration, relativeChange);
// Iterate until conditions are met, accumulate correlation spectra in sum.
while (nextIterationAllowed(iteration, relativeChange)) {
++iteration;
DataObjects::Workspace2D_sptr corr = core.calculate(residuals, calculated);
relativeChange = relativeCountChange(corr, sumOfMeasuredCounts);
sum = addWorkspaces(sum, corr);
logIteration(iteration, relativeChange);
}
g_log.notice() << "Finished after " << iteration
<< " iterations, final change=" << relativeChange << std::endl;
// Return final correlation spectrum.
setProperty("OutputWorkspace", boost::dynamic_pointer_cast<Workspace>(sum));
}