PoldiPeakCollection_sptr
PoldiFitPeaks1D2::fitPeaks(const PoldiPeakCollection_sptr &peaks) {
g_log.information() << "Peaks to fit: " << peaks->peakCount() << std::endl;
std::vector<RefinedRange_sptr> rawRanges = getRefinedRanges(peaks);
std::vector<RefinedRange_sptr> reducedRanges = getReducedRanges(rawRanges);
g_log.information() << "Ranges used for fitting: " << reducedRanges.size()
<< std::endl;
Workspace2D_sptr dataWorkspace = getProperty("InputWorkspace");
m_fitplots->removeAll();
for (size_t i = 0; i < reducedRanges.size(); ++i) {
RefinedRange_sptr currentRange = reducedRanges[i];
int nMin = getBestChebyshevPolynomialDegree(dataWorkspace, currentRange);
if (nMin > -1) {
IAlgorithm_sptr fit = getFitAlgorithm(dataWorkspace, currentRange, nMin);
fit->execute();
IFunction_sptr fitFunction = fit->getProperty("Function");
CompositeFunction_sptr composite =
boost::dynamic_pointer_cast<CompositeFunction>(fitFunction);
if (!composite) {
throw std::runtime_error("Not a composite function!");
}
std::vector<PoldiPeak_sptr> peaks = currentRange->getPeaks();
for (size_t i = 0; i < peaks.size(); ++i) {
setValuesFromProfileFunction(peaks[i], composite->getFunction(i));
MatrixWorkspace_sptr fpg = fit->getProperty("OutputWorkspace");
m_fitplots->addWorkspace(fpg);
}
}
}
return getReducedPeakCollection(peaks);
}
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);
}
