/** Create histogram workspace
*/
MatrixWorkspace_sptr CreateSampleWorkspace::createHistogramWorkspace(
int numPixels, int numBins, double x0, double binDelta,
int start_at_pixelID, Geometry::Instrument_sptr inst,
const std::string &functionString, bool isRandom) {
MantidVecPtr x, y, e;
x.access().resize(numBins + 1);
e.access().resize(numBins);
for (int i = 0; i < numBins + 1; ++i) {
x.access()[i] = x0 + i * binDelta;
}
std::vector<double> xValues(x.access().begin(), x.access().end() - 1);
y.access() = evalFunction(functionString, xValues, isRandom ? 1 : 0);
e.access().resize(numBins);
// calculate e as sqrt(y)
typedef double (*uf)(double);
uf dblSqrt = std::sqrt;
std::transform(y.access().begin(), y.access().end(), e.access().begin(),
dblSqrt);
MatrixWorkspace_sptr retVal(new DataObjects::Workspace2D);
retVal->initialize(numPixels, numBins + 1, numBins);
retVal->setInstrument(inst);
for (size_t wi = 0; wi < static_cast<size_t>(numPixels); wi++) {
retVal->setX(wi, x);
retVal->setData(wi, y, e);
retVal->getSpectrum(wi)->setDetectorID(detid_t(start_at_pixelID + wi));
retVal->getSpectrum(wi)->setSpectrumNo(specid_t(wi + 1));
}
return retVal;
}
/**
* Make a map of the conversion factors between tof and D-spacing
* for all pixel IDs in a workspace.
*
* @param DFileName name of dspacemap file
* @param offsetsWS :: OffsetsWorkspace with instrument and offsets
*/
void SaveDspacemap::CalculateDspaceFromCal(Mantid::DataObjects::OffsetsWorkspace_sptr offsetsWS,
std::string DFileName)
{
const char * filename = DFileName.c_str();
// Get a pointer to the instrument contained in the workspace
Instrument_const_sptr instrument = offsetsWS->getInstrument();
double l1;
Kernel::V3D beamline,samplePos;
double beamline_norm;
instrument->getInstrumentParameters(l1,beamline,beamline_norm, samplePos);
//To get all the detector ID's
detid2det_map allDetectors;
instrument->getDetectors(allDetectors);
detid2det_map::const_iterator it;
detid_t maxdetID = 0;
for (it = allDetectors.begin(); it != allDetectors.end(); it++)
{
detid_t detectorID = it->first;
if(detectorID > maxdetID) maxdetID = detectorID;
}
detid_t paddetID = detid_t(getProperty("PadDetID"));
if (maxdetID < paddetID)maxdetID = paddetID;
// Now write the POWGEN-style Dspace mapping file
std::ofstream fout(filename, std::ios_base::out|std::ios_base::binary);
Progress prog(this,0.0,1.0,maxdetID);
for (detid_t i = 0; i != maxdetID; i++)
{
//Compute the factor
double factor;
Geometry::IDetector_const_sptr det;
// Find the detector with that detector id
it = allDetectors.find(i);
if (it != allDetectors.end())
{
det = it->second;
factor = Instrument::calcConversion(l1, beamline, beamline_norm, samplePos, det, offsetsWS->getValue(i, 0.0));
//Factor of 10 between ISAW and Mantid
factor *= 0.1 ;
if(factor<0)factor = 0.0;
fout.write( reinterpret_cast<char*>( &factor ), sizeof(double) );
}
else
{
factor = 0;
fout.write( reinterpret_cast<char*>( &factor ), sizeof(double) );
}
//Report progress
prog.report();
}
fout.close();
}
