/** method to build the Q-coordinates transformation.
*
* @param TargWSDescription -- the class which describes target MD workspace. In
Q3D case this description is modified by the method
with default Q-axis labels and Q-axis units
* @param FrameRequested -- the string which describes the target
transformation frame in Q3D case. If the string value is '''Auto'''
* the frame is selected depending on the presence of UB matrix and goniometer
settings, namely it can be:
* a) the laboratory -- (no UB matrix, goniometer angles set to 0)
b) Q (sample frame)''': the goniometer rotation of the sample is taken out,
to give Q in the frame of the sample. See [[SetGoniometer]] to specify the
goniometer used in the experiment.
c) Crystal or crystal Cartesian (C)- Busing, Levi 1967 coordinate system --
depending on Q-scale requested
* one of the target frames above can be requested explicitly. In this case the
method throws invalid argument if necessary parameters (UB matrix) is not
attached to the workspace
* @param QScaleRequested -- Q-transformation needed
*
* @return the linear representation for the transformation matrix, which
translate momentums from laboratory to the requested
* coordinate system.
*/
std::vector<double>
MDWSTransform::getTransfMatrix(MDWSDescription &TargWSDescription,
const std::string &FrameRequested,
const std::string &QScaleRequested) const {
CoordScaling ScaleID = getQScaling(QScaleRequested);
TargetFrame FrameID = getTargetFrame(FrameRequested);
std::vector<double> transf =
getTransfMatrix(TargWSDescription, FrameID, ScaleID);
if (TargWSDescription.isQ3DMode()) {
this->setQ3DDimensionsNames(TargWSDescription, FrameID, ScaleID);
}
return transf;
}
void MDEventWSWrapper::createEmptyEventWS(const MDWSDescription &description) {
boost::shared_ptr<DataObjects::MDEventWorkspace<DataObjects::MDEvent<nd>, nd>>
ws = boost::shared_ptr<
DataObjects::MDEventWorkspace<DataObjects::MDEvent<nd>, nd>>(
new DataObjects::MDEventWorkspace<DataObjects::MDEvent<nd>, nd>());
auto numBins = description.getNBins();
size_t nBins(10); // HACK. this means we have 10 bins artificially. This can't
// be right.
// Give all the dimensions
for (size_t d = 0; d < nd; d++) {
if (!numBins.empty())
nBins = numBins[d];
Geometry::MDHistoDimension *dim = NULL;
if (d < 3 && description.isQ3DMode()) {
// We should have frame and scale information that we can use correctly
// for our Q dimensions.
auto mdFrame = description.getFrame(d);
dim = new Geometry::MDHistoDimension(
description.getDimNames()[d], description.getDimIDs()[d], *mdFrame,
Mantid::coord_t(description.getDimMin()[d]),
Mantid::coord_t(description.getDimMax()[d]), nBins);
} else {
Mantid::Geometry::GeneralFrame frame(description.getDimNames()[d],
description.getDimUnits()[d]);
dim = new Geometry::MDHistoDimension(
description.getDimNames()[d], description.getDimIDs()[d], frame,
Mantid::coord_t(description.getDimMin()[d]),
Mantid::coord_t(description.getDimMax()[d]), nBins);
}
ws->addDimension(Geometry::MDHistoDimension_sptr(dim));
}
ws->initialize();
m_Workspace = ws;
}
