/** the function builds MD event WS description from existing workspace.
* Primary used to obtain existing ws parameters
*@param pWS -- shared pointer to existing MD workspace
*/
void MDWSDescription::buildFromMDWS(
const API::IMDEventWorkspace_const_sptr &pWS) {
m_NDims = static_cast<unsigned int>(pWS->getNumDims());
// prepare all arrays:
m_DimNames.resize(m_NDims);
m_DimIDs.resize(m_NDims);
m_DimUnits.resize(m_NDims);
m_NBins.resize(m_NDims);
m_DimMin.resize(m_NDims);
m_DimMax.resize(m_NDims);
for (size_t i = 0; i < m_NDims; i++) {
const Geometry::IMDDimension *pDim = pWS->getDimension(i).get();
m_DimNames[i] = pDim->getName();
m_DimIDs[i] = pDim->getDimensionId();
m_DimUnits[i] = pDim->getUnits();
m_NBins[i] = pDim->getNBins();
m_DimMin[i] = pDim->getMinimum();
m_DimMax[i] = pDim->getMaximum();
}
m_Wtransf = Kernel::DblMatrix(pWS->getWTransf());
}
void vtkDataSetToNonOrthogonalDataSet::execute() {
// Downcast to a vtkUnstructuredGrid
vtkUnstructuredGrid *data = vtkUnstructuredGrid::SafeDownCast(m_dataSet);
if (NULL == data)
{
throw std::runtime_error("VTK dataset does not inherit from vtkPointSet");
}
// Get the workspace from the ADS
ADSWorkspaceProvider<API::IMDWorkspace> workspaceProvider;
API::Workspace_sptr ws = workspaceProvider.fetchWorkspace(m_wsName);
std::string wsType = ws->id();
Geometry::OrientedLattice oLatt;
std::vector<double> wMatArr;
Kernel::Matrix<coord_t> affMat;
// Have to cast since inherited class doesn't provide access to all info
if (boost::algorithm::find_first(wsType, "MDHistoWorkspace")) {
API::IMDHistoWorkspace_const_sptr infoWs =
boost::dynamic_pointer_cast<const API::IMDHistoWorkspace>(ws);
m_boundingBox[0] = infoWs->getDimension(0)->getMinimum();
m_boundingBox[1] = infoWs->getDimension(0)->getMaximum();
m_boundingBox[2] = infoWs->getDimension(1)->getMinimum();
m_boundingBox[3] = infoWs->getDimension(1)->getMaximum();
m_boundingBox[4] = infoWs->getDimension(2)->getMinimum();
m_boundingBox[5] = infoWs->getDimension(2)->getMaximum();
m_numDims = infoWs->getNumDims();
m_coordType = infoWs->getSpecialCoordinateSystem();
if (Kernel::HKL != m_coordType) {
throw std::invalid_argument(
"Cannot create non-orthogonal view for non-HKL coordinates");
}
const API::Sample sample = infoWs->getExperimentInfo(0)->sample();
if (!sample.hasOrientedLattice()) {
throw std::invalid_argument(
"OrientedLattice is not present on workspace");
}
oLatt = sample.getOrientedLattice();
const API::Run run = infoWs->getExperimentInfo(0)->run();
if (!run.hasProperty("W_MATRIX")) {
throw std::invalid_argument("W_MATRIX is not present on workspace");
}
wMatArr = run.getPropertyValueAsType<std::vector<double>>("W_MATRIX");
try {
API::CoordTransform const * transform = infoWs->getTransformToOriginal();
affMat = transform->makeAffineMatrix();
} catch (std::runtime_error &) {
// Create identity matrix of dimension+1
std::size_t nDims = infoWs->getNumDims() + 1;
Kernel::Matrix<coord_t> temp(nDims, nDims, true);
affMat = temp;
}
}
// This is only here to make the unit test run.
if (boost::algorithm::find_first(wsType, "MDEventWorkspace")) {
API::IMDEventWorkspace_const_sptr infoWs =
boost::dynamic_pointer_cast<const API::IMDEventWorkspace>(ws);
m_numDims = infoWs->getNumDims();
m_coordType = infoWs->getSpecialCoordinateSystem();
if (Kernel::HKL != m_coordType) {
throw std::invalid_argument(
"Cannot create non-orthogonal view for non-HKL coordinates");
}
const API::Sample sample = infoWs->getExperimentInfo(0)->sample();
if (!sample.hasOrientedLattice()) {
throw std::invalid_argument(
"OrientedLattice is not present on workspace");
}
oLatt = sample.getOrientedLattice();
const API::Run run = infoWs->getExperimentInfo(0)->run();
if (!run.hasProperty("W_MATRIX")) {
throw std::invalid_argument("W_MATRIX is not present on workspace");
}
wMatArr = run.getPropertyValueAsType<std::vector<double>>("W_MATRIX");
try {
API::CoordTransform const *transform = infoWs->getTransformToOriginal();
affMat = transform->makeAffineMatrix();
} catch (std::runtime_error &) {
// Create identity matrix of dimension+1
std::size_t nDims = infoWs->getNumDims() + 1;
Kernel::Matrix<coord_t> temp(nDims, nDims, true);
affMat = temp;
}
}
Kernel::DblMatrix wTrans(wMatArr);
this->createSkewInformation(oLatt, wTrans, affMat);
// Get the original points
vtkPoints *points = data->GetPoints();
double outPoint[3];
vtkPoints *newPoints = vtkPoints::New();
newPoints->Allocate(points->GetNumberOfPoints());
/// Put together the skew matrix for use
double skew[9];
// Create from the internal skew matrix
std::size_t index = 0;
for (std::size_t i = 0; i < m_skewMat.numRows(); i++) {
for (std::size_t j = 0; j < m_skewMat.numCols(); j++) {
skew[index] = m_skewMat[i][j];
index++;
}
}
for (int i = 0; i < points->GetNumberOfPoints(); i++) {
double *inPoint = points->GetPoint(i);
vtkMatrix3x3::MultiplyPoint(skew, inPoint, outPoint);
newPoints->InsertNextPoint(outPoint);
}
data->SetPoints(newPoints);
this->updateMetaData(data);
}
void vtkDataSetToNonOrthogonalDataSet::execute() {
// Downcast to a vtkPointSet
vtkPointSet *data = vtkPointSet::SafeDownCast(m_dataSet);
if (NULL == data) {
throw std::runtime_error("VTK dataset does not inherit from vtkPointSet");
}
// Get the workspace from the ADS
ADSWorkspaceProvider<API::IMDWorkspace> workspaceProvider;
API::Workspace_sptr ws = workspaceProvider.fetchWorkspace(m_wsName);
std::string wsType = ws->id();
Geometry::OrientedLattice oLatt;
std::vector<double> wMatArr;
Kernel::Matrix<coord_t> affMat;
// Have to cast since inherited class doesn't provide access to all info
if (boost::algorithm::find_first(wsType, "MDHistoWorkspace")) {
API::IMDHistoWorkspace_const_sptr infoWs =
boost::dynamic_pointer_cast<const API::IMDHistoWorkspace>(ws);
m_boundingBox[0] = infoWs->getXDimension()->getMinimum();
m_boundingBox[1] = infoWs->getXDimension()->getMaximum();
m_boundingBox[2] = infoWs->getYDimension()->getMinimum();
m_boundingBox[3] = infoWs->getYDimension()->getMaximum();
m_boundingBox[4] = infoWs->getZDimension()->getMinimum();
m_boundingBox[5] = infoWs->getZDimension()->getMaximum();
m_numDims = infoWs->getNumDims();
m_coordType = infoWs->getSpecialCoordinateSystem();
if (Kernel::HKL != m_coordType) {
throw std::invalid_argument(
"Cannot create non-orthogonal view for non-HKL coordinates");
}
const API::Sample sample = infoWs->getExperimentInfo(0)->sample();
if (!sample.hasOrientedLattice()) {
throw std::invalid_argument(
"OrientedLattice is not present on workspace");
}
oLatt = sample.getOrientedLattice();
const API::Run run = infoWs->getExperimentInfo(0)->run();
if (!run.hasProperty("W_MATRIX")) {
throw std::invalid_argument("W_MATRIX is not present on workspace");
}
wMatArr = run.getPropertyValueAsType<std::vector<double>>("W_MATRIX");
try {
API::CoordTransform const *transform = infoWs->getTransformToOriginal();
affMat = transform->makeAffineMatrix();
} catch (std::runtime_error &) {
// Create identity matrix of dimension+1
std::size_t nDims = infoWs->getNumDims() + 1;
Kernel::Matrix<coord_t> temp(nDims, nDims, true);
affMat = temp;
}
}
// This is only here to make the unit test run.
if (boost::algorithm::find_first(wsType, "MDEventWorkspace")) {
API::IMDEventWorkspace_const_sptr infoWs =
boost::dynamic_pointer_cast<const API::IMDEventWorkspace>(ws);
m_boundingBox[0] = infoWs->getXDimension()->getMinimum();
m_boundingBox[1] = infoWs->getXDimension()->getMaximum();
m_boundingBox[2] = infoWs->getYDimension()->getMinimum();
m_boundingBox[3] = infoWs->getYDimension()->getMaximum();
m_boundingBox[4] = infoWs->getZDimension()->getMinimum();
m_boundingBox[5] = infoWs->getZDimension()->getMaximum();
m_numDims = infoWs->getNumDims();
m_coordType = infoWs->getSpecialCoordinateSystem();
if (Kernel::HKL != m_coordType) {
throw std::invalid_argument(
"Cannot create non-orthogonal view for non-HKL coordinates");
}
const API::Sample sample = infoWs->getExperimentInfo(0)->sample();
if (!sample.hasOrientedLattice()) {
throw std::invalid_argument(
"OrientedLattice is not present on workspace");
}
oLatt = sample.getOrientedLattice();
const API::Run run = infoWs->getExperimentInfo(0)->run();
if (!run.hasProperty("W_MATRIX")) {
throw std::invalid_argument("W_MATRIX is not present on workspace");
}
wMatArr = run.getPropertyValueAsType<std::vector<double>>("W_MATRIX");
try {
API::CoordTransform const *transform = infoWs->getTransformToOriginal();
affMat = transform->makeAffineMatrix();
} catch (std::runtime_error &) {
// Create identity matrix of dimension+1
std::size_t nDims = infoWs->getNumDims() + 1;
Kernel::Matrix<coord_t> temp(nDims, nDims, true);
affMat = temp;
}
}
Kernel::DblMatrix wTrans(wMatArr);
this->createSkewInformation(oLatt, wTrans, affMat);
/// Put together the skew matrix for use
Mantid::coord_t skew[9];
// Create from the internal skew matrix
std::size_t index = 0;
for (std::size_t i = 0; i < m_skewMat.numRows(); i++) {
for (std::size_t j = 0; j < m_skewMat.numCols(); j++) {
skew[index] = static_cast<Mantid::coord_t>(m_skewMat[i][j]);
index++;
}
}
// Get the original points
vtkFloatArray *points =
vtkFloatArray::SafeDownCast(data->GetPoints()->GetData());
if (points == NULL) {
throw std::runtime_error("Failed to cast vtkDataArray to vtkFloatArray.");
} else if (points->GetNumberOfComponents() != 3) {
throw std::runtime_error("points array must have 3 components.");
}
float *end = points->GetPointer(points->GetNumberOfTuples() * 3);
for (float *it = points->GetPointer(0); it < end; std::advance(it, 3)) {
float v1 = it[0];
float v2 = it[1];
float v3 = it[2];
it[0] = v1 * skew[0] + v2 * skew[1] + v3 * skew[2];
it[1] = v1 * skew[3] + v2 * skew[4] + v3 * skew[5];
it[2] = v1 * skew[6] + v2 * skew[7] + v3 * skew[8];
}
this->updateMetaData(data);
}