/** Get set of spectra of the input table workspace
* Spectra is set to the column named 'spectrum'.
* Algorithm supports multiple peaks in multiple spectra
*/
void GeneratePeaks::getSpectraSet(DataObjects::TableWorkspace_const_sptr peakParmsWS)
{
size_t numpeaks = peakParmsWS->rowCount();
API::Column_const_sptr col = peakParmsWS->getColumn("spectrum");
for (size_t ipk = 0; ipk < numpeaks; ipk ++)
{
// Spectrum
specid_t specid = static_cast<specid_t>((*col)[ipk]);
m_spectraSet.insert(specid);
std::stringstream outss;
outss << "Peak " << ipk << ": specid = " << specid;
g_log.debug(outss.str());
}
std::set<specid_t>::iterator pit;
specid_t icount = 0;
for (pit = m_spectraSet.begin(); pit != m_spectraSet.end(); ++pit)
{
m_SpectrumMap.insert(std::make_pair(*pit, icount));
++ icount;
}
return;
}
void UnitsConversionHelper::initialize(
const std::string &unitsFrom, const std::string &unitsTo,
const DataObjects::TableWorkspace_const_sptr &DetWS, int Emode,
bool forceViaTOF) {
m_Emode = Emode;
if (!DetWS)
throw std::runtime_error("UnitsConversionHelper::initialize called with "
"empty preprocessed detectors table");
// Check how the source units relate to the units requested and create source
// units
m_UnitCnvrsn = analyzeUnitsConversion(unitsFrom, unitsTo, forceViaTOF);
// create target units class
m_TargetUnit = Kernel::UnitFactory::Instance().create(unitsTo);
if (!m_TargetUnit)
throw(std::runtime_error(
" Cannot retrieve target unit from the units factory"));
// get access to all values used by unit conversion.
m_pTwoThetas = &(DetWS->getColVector<double>("TwoTheta"));
m_pL2s = &(DetWS->getColVector<double>("L2"));
m_L1 = DetWS->getLogs()->getPropertyValueAsType<double>("L1");
// get efix
m_Efix = DetWS->getLogs()->getPropertyValueAsType<double>("Ei");
m_pEfixedArray = NULL;
if (m_Emode == (int)Kernel::DeltaEMode::Indirect)
m_pEfixedArray = DetWS->getColDataArray<float>("eFixed");
// set up conversion to working state -- in some tests it can be used straight
// from the beginning.
m_TwoTheta = (*m_pTwoThetas)[0];
m_L2 = (*m_pL2s)[0];
double Efix = m_Efix;
if (m_pEfixedArray)
Efix = (double)(*(m_pEfixedArray + 0));
m_TargetUnit->initialize(m_L1, m_L2, m_TwoTheta, m_Emode, Efix, 0.);
if (m_SourceWSUnit) {
m_SourceWSUnit->initialize(m_L1, m_L2, m_TwoTheta, m_Emode, Efix, 0.);
}
}
/** Get set of spectra of the input table workspace
* Spectra is set to the column named 'spectrum'.
* Algorithm supports multiple peaks in multiple spectra
*/
void GeneratePeaks::getSpectraSet(
DataObjects::TableWorkspace_const_sptr peakParmsWS) {
size_t numpeaks = peakParmsWS->rowCount();
API::Column_const_sptr col = peakParmsWS->getColumn("spectrum");
for (size_t ipk = 0; ipk < numpeaks; ipk++) {
// Spectrum
specnum_t specid = static_cast<specnum_t>((*col)[ipk]);
m_spectraSet.insert(specid);
std::stringstream outss;
outss << "Peak " << ipk << ": specid = " << specid;
g_log.debug(outss.str());
}
specnum_t icount = 0;
for (const auto specnum : m_spectraSet) {
m_SpectrumMap.emplace(specnum, icount);
++icount;
}
}