/** Compare the dimensions etc. of two MDWorkspaces
*/
void CompareMDWorkspaces::compareMDHistoWorkspaces(
Mantid::DataObjects::MDHistoWorkspace_sptr ws1,
Mantid::DataObjects::MDHistoWorkspace_sptr ws2) {
compare(ws1->getNumDims(), ws2->getNumDims(),
"Workspaces have a different number of dimensions");
compare(ws1->getNPoints(), ws2->getNPoints(),
"Workspaces have a different number of points");
for (size_t i = 0; i < ws1->getNPoints(); i++) {
double diff = fabs(ws1->getSignalAt(i) - ws2->getSignalAt(i));
if (diff > m_tolerance)
throw CompareFailsException(
"MDHistoWorkspaces have a different signal at index " +
Strings::toString(i) + " " +
versus(ws1->getSignalAt(i), ws2->getSignalAt(i)));
double diffErr = fabs(ws1->getErrorAt(i) - ws2->getErrorAt(i));
if (diffErr > m_tolerance)
throw CompareFailsException(
"MDHistoWorkspaces have a different error at index " +
Strings::toString(i) + " " +
versus(ws1->getErrorAt(i), ws2->getErrorAt(i)));
}
}
/** Save a MDHistoWorkspace to a .nxs file
*
* @param ws :: MDHistoWorkspace to save
*/
void SaveMD::doSaveHisto(Mantid::DataObjects::MDHistoWorkspace_sptr ws) {
std::string filename = getPropertyValue("Filename");
// Erase the file if it exists
Poco::File oldFile(filename);
if (oldFile.exists())
oldFile.remove();
// Create a new file in HDF5 mode.
::NeXus::File *file;
file = new ::NeXus::File(filename, NXACC_CREATE5);
// The base entry. Named so as to distinguish from other workspace types.
file->makeGroup("MDHistoWorkspace", "NXentry", true);
// Write out the coordinate system
file->writeData("coordinate_system",
static_cast<uint32_t>(ws->getSpecialCoordinateSystem()));
// Write out the set display normalization
file->writeData("visual_normalization",
static_cast<uint32_t>(ws->displayNormalization()));
// Save the algorithm history under "process"
ws->getHistory().saveNexus(file);
// Save all the ExperimentInfos
for (uint16_t i = 0; i < ws->getNumExperimentInfo(); i++) {
ExperimentInfo_sptr ei = ws->getExperimentInfo(i);
std::string groupName = "experiment" + Strings::toString(i);
if (ei) {
// Can't overwrite entries. Just add the new ones
file->makeGroup(groupName, "NXgroup", true);
file->putAttr("version", 1);
ei->saveExperimentInfoNexus(file);
file->closeGroup();
}
}
// Write out some general information like # of dimensions
file->writeData("dimensions", int32_t(ws->getNumDims()));
// Save each dimension, as their XML representation
for (size_t d = 0; d < ws->getNumDims(); d++) {
std::ostringstream mess;
mess << "dimension" << d;
file->putAttr(mess.str(), ws->getDimension(d)->toXMLString());
}
// Write out the affine matrices
MDBoxFlatTree::saveAffineTransformMatricies(
file, boost::dynamic_pointer_cast<const IMDWorkspace>(ws));
// Check that the typedef has not been changed. The NeXus types would need
// changing if it does!
assert(sizeof(signal_t) == sizeof(double));
// Number of data points
int nPoints = static_cast<int>(ws->getNPoints());
file->makeData("signal", ::NeXus::FLOAT64, nPoints, true);
file->putData(ws->getSignalArray());
file->closeData();
file->makeData("errors_squared", ::NeXus::FLOAT64, nPoints, true);
file->putData(ws->getErrorSquaredArray());
file->closeData();
file->makeData("num_events", ::NeXus::FLOAT64, nPoints, true);
file->putData(ws->getNumEventsArray());
file->closeData();
file->makeData("mask", ::NeXus::INT8, nPoints, true);
file->putData(ws->getMaskArray());
file->closeData();
// TODO: Links to original workspace???
file->closeGroup();
file->close();
}