/**
* @brief IntegratePeaksCWSD::createPeakworkspace
* @param peakCenter
* @param mdws :: source MDEventWorkspace where the run numbers come from
* @return
*/
DataObjects::PeaksWorkspace_sptr
IntegratePeaksCWSD::createPeakworkspace(Kernel::V3D peakCenter,
API::IMDEventWorkspace_sptr mdws) {
g_log.notice("Create peak workspace for output ... ...");
// new peak workspace
DataObjects::PeaksWorkspace_sptr peakws =
boost::make_shared<DataObjects::PeaksWorkspace>();
// get number of runs
size_t numruns = mdws->getNumExperimentInfo();
for (size_t i_run = 0; i_run < numruns; ++i_run) {
// get experiment info for run number, instrument and peak count
API::ExperimentInfo_const_sptr expinfo =
mdws->getExperimentInfo(static_cast<uint16_t>(i_run));
int runnumber = expinfo->getRunNumber();
// FIXME - This is a hack for HB3A's run number issue
std::map<int, double>::iterator miter =
m_runPeakCountsMap.find(runnumber % 1000);
double peakcount(0);
if (miter != m_runPeakCountsMap.end()) {
peakcount = miter->second;
g_log.notice() << "[DB] Get peak count of run " << runnumber << " as "
<< peakcount << "\n";
} else {
g_log.notice() << "[DB] Unable to find run " << runnumber
<< " in peak count map."
<< "\n";
}
// Create and add a new peak to peak workspace
DataObjects::Peak newpeak;
try {
Geometry::Instrument_const_sptr instrument = expinfo->getInstrument();
newpeak.setInstrument(instrument);
newpeak.setGoniometerMatrix(expinfo->run().getGoniometerMatrix());
} catch (std::exception) {
throw std::runtime_error(
"Unable to set instrument and goniometer matrix.");
}
newpeak.setQSampleFrame(peakCenter);
newpeak.setRunNumber(runnumber);
newpeak.setIntensity(peakcount * m_scaleFactor);
peakws->addPeak(newpeak);
}
g_log.notice("Peak workspace is generated.... ");
return peakws;
}
/**
* Copy over the metadata from the input matrix workspace to output MDEventWorkspace
* @param mdEventWS :: The output MDEventWorkspace where metadata are copied to. The source of the metadata is the input matrix workspace
*
*/
void ConvertToMD::copyMetaData(API::IMDEventWorkspace_sptr &mdEventWS) const
{
// found detector which is not a monitor to get proper bin boundaries.
size_t spectra_index(0);
bool dector_found(false);
for(size_t i=0;i<m_InWS2D->getNumberHistograms(); ++i)
{
try
{
auto det=m_InWS2D->getDetector(i);
if (!det->isMonitor())
{
spectra_index=i;
dector_found = true;
g_log.debug()<<"Using spectra N "<<i<< " as the source of the bin boundaries for the resolution corrections \n";
break;
}
}
catch(...)
{}
}
if (!dector_found)
g_log.warning()<<"No detectors in the workspace are associated with spectra. Using spectrum 0 trying to retrieve the bin boundaries \n";
// retrieve representative bin boundaries
MantidVec binBoundaries = m_InWS2D->readX(spectra_index);
// check if the boundaries transformation is necessary
if (m_Convertor->getUnitConversionHelper().isUnitConverted())
{
if( !dynamic_cast<DataObjects::EventWorkspace *>(m_InWS2D.get()))
{
g_log.information()<<" ConvertToMD converts input workspace units, but the bin boundaries are copied from the first workspace spectra. The resolution estimates can be incorrect if unit conversion depends on spectra number.\n";
UnitsConversionHelper &unitConv = m_Convertor->getUnitConversionHelper();
unitConv.updateConversion(spectra_index);
for(size_t i=0;i<binBoundaries.size();i++)
{
binBoundaries[i] =unitConv.convertUnits(binBoundaries[i]);
}
}
// sort bin boundaries in case if unit transformation have swapped them.
if (binBoundaries[0]>binBoundaries[binBoundaries.size()-1])
{
g_log.information()<<"Bin boundaries are not arranged monotonously. Sorting performed\n";
std::sort(binBoundaries.begin(),binBoundaries.end());
}
}
// Replacement for SpectraDetectorMap::createIDGroupsMap using the ISpectrum objects instead
auto mapping = boost::make_shared<det2group_map>();
for ( size_t i = 0; i < m_InWS2D->getNumberHistograms(); ++i )
{
const auto& dets = m_InWS2D->getSpectrum(i)->getDetectorIDs();
if(!dets.empty())
{
std::vector<detid_t> id_vector;
std::copy(dets.begin(), dets.end(), std::back_inserter(id_vector));
mapping->insert(std::make_pair(id_vector.front(), id_vector));
}
}
uint16_t nexpts = mdEventWS->getNumExperimentInfo();
for(uint16_t i = 0; i < nexpts; ++i)
{
ExperimentInfo_sptr expt = mdEventWS->getExperimentInfo(i);
expt->mutableRun().storeHistogramBinBoundaries(binBoundaries);
expt->cacheDetectorGroupings(*mapping);
}
}
/**
* Copy over the metadata from the input matrix workspace to output
*MDEventWorkspace
* @param mdEventWS :: The output MDEventWorkspace where metadata are copied to.
*The source of the metadata is the input matrix workspace
*
*/
void ConvertToMD::copyMetaData(API::IMDEventWorkspace_sptr &mdEventWS) const {
// found detector which is not a monitor to get proper bin boundaries.
size_t spectra_index(0);
bool detector_found(false);
const auto &spectrumInfo = m_InWS2D->spectrumInfo();
for (size_t i = 0; i < m_InWS2D->getNumberHistograms(); ++i) {
if (spectrumInfo.hasDetectors(i) && !spectrumInfo.isMonitor(i)) {
spectra_index = i;
detector_found = true;
g_log.debug() << "Using spectra N " << i
<< " as the source of the bin "
"boundaries for the resolution corrections \n";
break;
}
}
if (!detector_found) {
g_log.information()
<< "No spectra in the workspace have detectors associated "
"with them. Storing bin boundaries from first spectrum for"
"resolution calculation\n";
}
// retrieve representative bin boundaries
auto binBoundaries = m_InWS2D->x(spectra_index);
// check if the boundaries transformation is necessary
if (m_Convertor->getUnitConversionHelper().isUnitConverted()) {
if (!dynamic_cast<DataObjects::EventWorkspace *>(m_InWS2D.get())) {
g_log.information() << " ConvertToMD converts input workspace units, but "
"the bin boundaries are copied from the first "
"workspace spectra. The resolution estimates can "
"be incorrect if unit conversion depends on "
"spectra number.\n";
UnitsConversionHelper &unitConv = m_Convertor->getUnitConversionHelper();
unitConv.updateConversion(spectra_index);
for (auto &binBoundary : binBoundaries) {
binBoundary = unitConv.convertUnits(binBoundary);
}
}
// sort bin boundaries in case if unit transformation have swapped them.
if (binBoundaries[0] > binBoundaries.back()) {
g_log.information() << "Bin boundaries are not arranged monotonously. "
"Sorting performed\n";
std::sort(binBoundaries.begin(), binBoundaries.end());
}
}
// Replacement for SpectraDetectorMap::createIDGroupsMap using the ISpectrum
// objects instead
auto mapping = boost::make_shared<det2group_map>();
for (size_t i = 0; i < m_InWS2D->getNumberHistograms(); ++i) {
const auto &dets = m_InWS2D->getSpectrum(i).getDetectorIDs();
if (!dets.empty())
mapping->emplace(*dets.begin(), dets);
}
// The last experiment info should always be the one that refers
// to latest converting workspace. All others should have had this
// information set already
uint16_t nexpts = mdEventWS->getNumExperimentInfo();
if (nexpts > 0) {
ExperimentInfo_sptr expt =
mdEventWS->getExperimentInfo(static_cast<uint16_t>(nexpts - 1));
expt->mutableRun().storeHistogramBinBoundaries(binBoundaries.rawData());
expt->cacheDetectorGroupings(*mapping);
}
}