/** Method analyzes the state of UB matrix and goniometer attached to the
*workspace and decides, which target
* coordinate system these variables identify.
*Crystal Frame decided in case if there is UB matrix is present and is not
*unit matrix
*Lab frame -- if goniometer is Unit and UB is unit matrix or not present
*Sample frame -- otherwise
*/
CnvrtToMD::TargetFrame
MDWSTransform::findTargetFrame(MDWSDescription &TargWSDescription) const {
bool hasGoniometer = TargWSDescription.hasGoniometer();
bool hasLattice = TargWSDescription.hasLattice();
if (!hasGoniometer) {
return LabFrame;
} else {
if (hasLattice)
return HKLFrame;
else
return SampleFrame;
}
}
/** Method verifies if the information available on the source workspace is
*sufficient to build appropriate frame
*@param TargWSDescription -- the class which contains the information about the
*target workspace
*@param CoordFrameID -- the ID of the target frame requested
*
* method throws invalid argument if the information on the workspace is
*insufficient to define the frame requested
*/
void MDWSTransform::checkTargetFrame(
const MDWSDescription &TargWSDescription,
const CnvrtToMD::TargetFrame CoordFrameID) const {
switch (CoordFrameID) {
case (LabFrame): // nothing needed for lab frame
return;
case (SampleFrame):
if (!TargWSDescription.hasGoniometer())
throw std::invalid_argument(
" Sample frame needs goniometer to be defined on the workspace ");
return;
case (HKLFrame): // ubMatrix has to be present
if (!TargWSDescription.hasLattice())
throw std::invalid_argument(
" HKL frame needs UB matrix defined on the workspace ");
if (!TargWSDescription.hasGoniometer())
g_Log.warning() << " HKL frame does not have goniometer defined on the "
"workspace. Assuming unit goniometer matrix\n";
return;
default:
throw std::runtime_error(
" Unexpected argument in MDWSTransform::checkTargetFrame");
}
}
/** The matrix to convert neutron momentums into the target coordinate system */
std::vector<double>
MDWSTransform::getTransfMatrix(MDWSDescription &TargWSDescription,
CnvrtToMD::TargetFrame FrameID,
CoordScaling &ScaleID) const {
Kernel::Matrix<double> mat(3, 3, true);
bool powderMode = TargWSDescription.isPowder();
bool has_lattice(true);
if (!TargWSDescription.hasLattice())
has_lattice = false;
if (!(powderMode || has_lattice)) {
std::string inWsName = TargWSDescription.getWSName();
// notice about 3D case without lattice
g_Log.notice()
<< "Can not obtain transformation matrix from the input workspace: "
<< inWsName << " as no oriented lattice has been defined. \n"
"Will use unit transformation matrix.\n";
}
// set the frame ID to the values, requested by properties
CnvrtToMD::TargetFrame CoordFrameID(FrameID);
if (FrameID == AutoSelect || powderMode) // if this value is auto-select, find
// appropriate frame from workspace
// properties
CoordFrameID = findTargetFrame(TargWSDescription);
else // if not, and specific target frame requested, verify if everything is
// available on the workspace for this frame
checkTargetFrame(
TargWSDescription,
CoordFrameID); // throw, if the information is not available
switch (CoordFrameID) {
case (CnvrtToMD::LabFrame): {
ScaleID = NoScaling;
TargWSDescription.m_Wtransf =
buildQTrahsf(TargWSDescription, ScaleID, true);
// ignore goniometer
mat = TargWSDescription.m_Wtransf;
break;
}
case (CnvrtToMD::SampleFrame): {
ScaleID = NoScaling;
TargWSDescription.m_Wtransf =
buildQTrahsf(TargWSDescription, ScaleID, true);
// Obtain the transformation matrix to Cartesian related to Crystal
mat = TargWSDescription.getGoniometerMatr() * TargWSDescription.m_Wtransf;
break;
}
case (CnvrtToMD::HKLFrame): {
TargWSDescription.m_Wtransf =
buildQTrahsf(TargWSDescription, ScaleID, false);
// Obtain the transformation matrix to Cartesian related to Crystal
if (TargWSDescription.hasGoniometer())
mat = TargWSDescription.getGoniometerMatr() * TargWSDescription.m_Wtransf;
else
mat = TargWSDescription.m_Wtransf;
break;
}
default:
throw(std::invalid_argument(" Unknown or undefined Target Frame ID"));
}
//
// and this is the transformation matrix to notional
mat.Invert();
std::vector<double> rotMat = mat.getVector();
g_Log.debug()
<< " *********** Q-transformation matrix ***********************\n";
g_Log.debug()
<< "*** *qx ! *qy ! *qz !\n";
g_Log.debug() << "q1= " << rotMat[0] << " ! " << rotMat[1] << " ! "
<< rotMat[2] << " !\n";
g_Log.debug() << "q2= " << rotMat[3] << " ! " << rotMat[4] << " ! "
<< rotMat[5] << " !\n";
g_Log.debug() << "q3= " << rotMat[6] << " ! " << rotMat[7] << " ! "
<< rotMat[8] << " !\n";
g_Log.debug()
<< " *********** *********************** ***********************\n";
return rotMat;
}
