/** Execute the algorithm.
*/
void ConvertDiffCal::exec() {
OffsetsWorkspace_const_sptr offsetsWS = getProperty("OffsetsWorkspace");
// initial setup of new style config
ITableWorkspace_sptr configWksp = boost::make_shared<TableWorkspace>();
configWksp->addColumn("int", "detid");
configWksp->addColumn("double", "difc");
configWksp->addColumn("double", "difa");
configWksp->addColumn("double", "tzero");
// create values in the table
const size_t numberOfSpectra = offsetsWS->getNumberHistograms();
Progress progress(this, 0.0, 1.0, numberOfSpectra);
for (size_t i = 0; i < numberOfSpectra; ++i) {
API::TableRow newrow = configWksp->appendRow();
newrow << static_cast<int>(getDetID(offsetsWS, i));
newrow << calculateDIFC(offsetsWS, i);
newrow << 0.; // difa
newrow << 0.; // tzero
progress.report();
}
// sort the results
IAlgorithm_sptr sortTable = createChildAlgorithm("SortTableWorkspace");
sortTable->setProperty("InputWorkspace", configWksp);
sortTable->setProperty("OutputWorkspace", configWksp);
sortTable->setPropertyValue("Columns", "detid");
sortTable->executeAsChildAlg();
// copy over the results
configWksp = sortTable->getProperty("OutputWorkspace");
setProperty("OutputWorkspace", configWksp);
}
/**
* @param offsetsWS
* @param index
* @return The offset adjusted value of DIFC
*/
double calculateDIFC(OffsetsWorkspace_const_sptr offsetsWS, const size_t index) {
Instrument_const_sptr instrument = offsetsWS->getInstrument();
const detid_t detid = getDetID(offsetsWS, index);
const double offset = getOffset(offsetsWS, detid);
double l1;
Kernel::V3D beamline, samplePos;
double beamline_norm;
instrument->getInstrumentParameters(l1, beamline, beamline_norm, samplePos);
Geometry::IDetector_const_sptr detector = instrument->getDetector(detid);
// the factor returned is what is needed to convert TOF->d-spacing
// the table is supposed to be filled with DIFC which goes the other way
const double factor = Instrument::calcConversion(l1, beamline, beamline_norm,
samplePos, detector, offset);
return 1./factor;
}