/**
* @brief Handle setting fit workspace.
*
* Creates a list of Q values from each spectrum to be used with WorkspaceIndex
* attribute.
*
* @param ws Pointer to workspace
*/
void InelasticDiffSphere::setWorkspace(
boost::shared_ptr<const API::Workspace> ws) {
m_qValueCache.clear();
auto workspace = boost::dynamic_pointer_cast<const API::MatrixWorkspace>(ws);
if (!workspace)
return;
size_t numHist = workspace->getNumberHistograms();
for (size_t idx = 0; idx < numHist; idx++) {
Mantid::Geometry::IDetector_const_sptr det;
try {
det = workspace->getDetector(idx);
} catch (Kernel::Exception::NotFoundError &) {
m_qValueCache.clear();
g_log.information("Cannot populate Q values from workspace");
break;
}
try {
double efixed = workspace->getEFixed(det);
double usignTheta = 0.5 * workspace->detectorTwoTheta(*det);
double q = Mantid::Kernel::UnitConversion::run(usignTheta, efixed);
m_qValueCache.push_back(q);
} catch (std::runtime_error &) {
m_qValueCache.clear();
g_log.information("Cannot populate Q values from workspace");
return;
}
}
}
/**
* A map detector ID and Q ranges
* This method looks unnecessary as it could be calculated on the fly but
* the parallelization means that lazy instantation slows it down due to the
* necessary CRITICAL sections required to update the cache. The Q range
* values are required very frequently so the total time is more than
* offset by this precaching step
*/
void SofQW3::initThetaCache(API::MatrixWorkspace_const_sptr workspace)
{
const size_t nhist = workspace->getNumberHistograms();
this->m_theta = std::vector<double>(nhist);
size_t ndets(0);
double minTheta(DBL_MAX), maxTheta(-DBL_MAX);
for(int64_t i = 0 ; i < (int64_t)nhist; ++i) //signed for OpenMP
{
m_progress->report("Calculating detector angles");
IDetector_const_sptr det;
try
{
det = workspace->getDetector(i);
// Check to see if there is an EFixed, if not skip it
try
{
getEFixed(det);
}
catch(std::runtime_error&)
{
det.reset();
}
}
catch(Kernel::Exception::NotFoundError&)
{
// Catch if no detector. Next line tests whether this happened - test placed
// outside here because Mac Intel compiler doesn't like 'continue' in a catch
// in an openmp block.
}
// If no detector found, skip onto the next spectrum
if( !det || det->isMonitor() )
{
this->m_theta[i] = -1.0; // Indicates a detector to skip
}
else
{
++ndets;
const double theta = workspace->detectorTwoTheta(det);
this->m_theta[i] = theta;
if( theta < minTheta )
{
minTheta = theta;
}
else if( theta > maxTheta )
{
maxTheta = theta;
}
}
}
this->m_thetaWidth = (maxTheta - minTheta)/static_cast<double>(ndets);
g_log.information() << "Calculated detector width in theta=" << (m_thetaWidth*180.0/M_PI) << " degrees.\n";
}
