API::IFunction_sptr
PoldiFitPeaks1D2::getRangeProfile(const RefinedRange_sptr &range, int n) const {
CompositeFunction_sptr totalProfile(new CompositeFunction);
totalProfile->initialize();
std::vector<PoldiPeak_sptr> peaks = range->getPeaks();
for (auto it = peaks.begin(); it != peaks.end(); ++it) {
totalProfile->addFunction(getPeakProfile(*it));
}
totalProfile->addFunction(FunctionFactory::Instance().createInitialized(
"name=Chebyshev,n=" + boost::lexical_cast<std::string>(n) + ",StartX=" +
boost::lexical_cast<std::string>(range->getXStart()) + ",EndX=" +
boost::lexical_cast<std::string>(range->getXEnd())));
return totalProfile;
}
void PoldiFitPeaks1D::exec() {
setPeakFunction(getProperty("PeakFunction"));
// Number of points around the peak center to use for the fit
m_fwhmMultiples = getProperty("FwhmMultiples");
// try to construct PoldiPeakCollection from provided TableWorkspace
TableWorkspace_sptr poldiPeakTable = getProperty("PoldiPeakTable");
m_peaks = getInitializedPeakCollection(poldiPeakTable);
g_log.information() << "Peaks to fit: " << m_peaks->peakCount() << '\n';
Workspace2D_sptr dataWorkspace = getProperty("InputWorkspace");
auto fitPlotGroup = boost::make_shared<WorkspaceGroup>();
for (size_t i = 0; i < m_peaks->peakCount(); ++i) {
PoldiPeak_sptr currentPeak = m_peaks->peak(i);
IFunction_sptr currentProfile = getPeakProfile(currentPeak);
IAlgorithm_sptr fit =
getFitAlgorithm(dataWorkspace, currentPeak, currentProfile);
bool fitSuccess = fit->execute();
if (fitSuccess) {
setValuesFromProfileFunction(currentPeak, fit->getProperty("Function"));
MatrixWorkspace_sptr fpg = fit->getProperty("OutputWorkspace");
fitPlotGroup->addWorkspace(fpg);
}
}
setProperty("OutputWorkspace", m_peaks->asTableWorkspace());
setProperty("FitPlotsWorkspace", fitPlotGroup);
}
