/** function creates empty MD event workspace with given parameters (workspace factory) and stores internal pointer to this workspace for further usage.
* IT ASLO SETS UP W-TRANSFORMATON. TODO: reconsile w-transfo with MD geometry.
*
*@param WSD the class which describes an MD workspace
*
*@returns shared pointer to the created workspace
*/
API::IMDEventWorkspace_sptr MDEventWSWrapper::createEmptyMDWS(const MDWSDescription &WSD)
{
if(WSD.nDimensions()<1||WSD.nDimensions()>MAX_N_DIM)
{
std::string ERR=" Number of requested MD dimensions: "+boost::lexical_cast<std::string>(WSD.nDimensions())+
" exceeds maximal number of MD dimensions: "+boost::lexical_cast<std::string>((int)MAX_N_DIM)+" instantiated during compilation\n";
throw(std::invalid_argument(ERR));
}
m_NDimensions = (int)WSD.nDimensions();
// call the particular function, which creates the workspace with n_dimensions
(this->*(wsCreator[m_NDimensions]))(WSD.getDimNames(),WSD.getDimIDs(),WSD.getDimUnits(),WSD.getDimMin(),WSD.getDimMax(),WSD.getNBins());
// set up the matrix, which convert momentums from Q in orthogonal crystal coordinate system and units of Angstrom^-1 to hkl or orthogonal hkl or whatevert
m_Workspace->setWTransf(WSD.m_Wtransf);
return m_Workspace;
}
/**
* Create new MD workspace and set up its box controller using algorithm's box
* controllers properties
* @param targWSDescr :: Description of workspace to create
* @param filebackend :: true if the workspace will have a file back end
* @param filename :: file to use for file back end of workspace
* @return :: Shared pointer for the created workspace
*/
API::IMDEventWorkspace_sptr
ConvertToMD::createNewMDWorkspace(const MDWSDescription &targWSDescr,
const bool filebackend,
const std::string &filename) {
// create new md workspace and set internal shared pointer of m_OutWSWrapper
// to this workspace
API::IMDEventWorkspace_sptr spws =
m_OutWSWrapper->createEmptyMDWS(targWSDescr);
if (!spws) {
g_log.error() << "can not create target event workspace with :"
<< targWSDescr.nDimensions() << " dimensions\n";
throw(std::invalid_argument("can not create target workspace"));
}
// Build up the box controller
Mantid::API::BoxController_sptr bc =
m_OutWSWrapper->pWorkspace()->getBoxController();
// Build up the box controller, using the properties in
// BoxControllerSettingsAlgorithm
this->setBoxController(bc, m_InWS2D->getInstrument());
if (filebackend) {
setupFileBackend(filename, m_OutWSWrapper->pWorkspace());
}
// Check if the user want sto force a top level split or not
bool topLevelSplittingChecked = this->getProperty("TopLevelSplitting");
if (topLevelSplittingChecked) {
// Perform initial split with the forced settings
setupTopLevelSplitting(bc);
}
// split boxes;
spws->splitBox();
// Do we split more due to MinRecursionDepth?
int minDepth = this->getProperty("MinRecursionDepth");
int maxDepth = this->getProperty("MaxRecursionDepth");
if (minDepth > maxDepth)
throw std::invalid_argument(
"MinRecursionDepth must be >= MaxRecursionDepth ");
spws->setMinRecursionDepth(size_t(minDepth));
return spws;
}
