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);
}
void PoldiFitPeaks1D2::exec() {
setPeakFunction(getProperty("PeakFunction"));
// Number of points around the peak center to use for the fit
m_fwhmMultiples = getProperty("FwhmMultiples");
m_maxRelativeFwhm = getProperty("MaximumRelativeFwhm");
// try to construct PoldiPeakCollection from provided TableWorkspace
TableWorkspace_sptr poldiPeakTable = getProperty("PoldiPeakTable");
m_peaks = getInitializedPeakCollection(poldiPeakTable);
PoldiPeakCollection_sptr fittedPeaksNew = fitPeaks(m_peaks);
PoldiPeakCollection_sptr fittedPeaksOld = m_peaks;
int i = 0;
while (fittedPeaksNew->peakCount() < fittedPeaksOld->peakCount() || i < 1) {
fittedPeaksOld = fittedPeaksNew;
fittedPeaksNew = fitPeaks(fittedPeaksOld);
++i;
}
setProperty("OutputWorkspace", fittedPeaksNew->asTableWorkspace());
setProperty("FitPlotsWorkspace", m_fitplots);
}