/** Execute the algorithm.
*/
void TransformMD::exec() {
Mantid::API::IMDWorkspace_sptr inWS;
Mantid::API::IMDWorkspace_sptr outWS;
inWS = getProperty("InputWorkspace");
outWS = getProperty("OutputWorkspace");
if (boost::dynamic_pointer_cast<MatrixWorkspace>(inWS))
throw std::runtime_error("TransformMD can only transform a "
"MDHistoWorkspace or a MDEventWorkspace.");
if (outWS != inWS) {
// NOT in-place. So first we clone inWS into outWS
IAlgorithm_sptr clone =
this->createChildAlgorithm("CloneMDWorkspace", 0.0, 0.5, true);
clone->setProperty("InputWorkspace", inWS);
clone->executeAsChildAlg();
outWS = clone->getProperty("OutputWorkspace");
}
if (!outWS)
throw std::runtime_error("Invalid output workspace.");
size_t nd = outWS->getNumDims();
m_scaling = getProperty("Scaling");
m_offset = getProperty("Offset");
// Replicate single values
if (m_scaling.size() == 1)
m_scaling = std::vector<double>(nd, m_scaling[0]);
if (m_offset.size() == 1)
m_offset = std::vector<double>(nd, m_offset[0]);
// Check the size
if (m_scaling.size() != nd)
throw std::invalid_argument("Scaling argument must be either length 1 or "
"match the number of dimensions.");
if (m_offset.size() != nd)
throw std::invalid_argument("Offset argument must be either length 1 or "
"match the number of dimensions.");
// Transform the dimensions
outWS->transformDimensions(m_scaling, m_offset);
MDHistoWorkspace_sptr histo =
boost::dynamic_pointer_cast<MDHistoWorkspace>(outWS);
IMDEventWorkspace_sptr event =
boost::dynamic_pointer_cast<IMDEventWorkspace>(outWS);
if (histo) {
// Recalculate all the values since the dimensions changed.
histo->cacheValues();
} else if (event) {
// Call the method for this type of MDEventWorkspace.
CALL_MDEVENT_FUNCTION(this->doTransform, outWS);
}
this->setProperty("OutputWorkspace", outWS);
}
/**
Free helper function.
try to fetch the workspace index.
@param ws : The workspace to find the dimensions in
@param candidateNameOrId: Either the name or the id of a dimension in the
workspace.
@return the index of the dimension in the workspace.
@throws runtime_error if the requested dimension is unknown either by id, or by
name in the workspace.
*/
size_t tryFetchDimensionIndex(Mantid::API::IMDWorkspace_sptr ws,
const std::string &candidateNameOrId) {
size_t dimWorkspaceIndex;
try {
dimWorkspaceIndex = ws->getDimensionIndexById(candidateNameOrId);
} catch (const std::runtime_error &) {
// this will throw if the name is unknown.
dimWorkspaceIndex = ws->getDimensionIndexByName(candidateNameOrId);
}
return dimWorkspaceIndex;
}
/**
* Set the minimum and maximum of the workspace data. Code essentially copied from SignalRange.cpp
* @param workspace Rreference to an IMD workspace
* @returns The minimum and maximum value of the workspace dataset.
*/
QwtDoubleInterval MetaDataExtractorUtils::getMinAndMax(Mantid::API::IMDWorkspace_sptr workspace)
{
if (!workspace)
throw std::invalid_argument("The workspace is empty.");
auto iterators = workspace->createIterators(PARALLEL_GET_MAX_THREADS, 0);
std::vector<QwtDoubleInterval> intervals(iterators.size());
// cppcheck-suppress syntaxError
PRAGMA_OMP( parallel for schedule(dynamic, 1))
for (int i=0; i < int(iterators.size()); i++)
{
Mantid::API::IMDIterator * it = iterators[i];
QwtDoubleInterval range = this->getRange(it);
intervals[i] = range;
// don't delete iterator in parallel. MSVC doesn't like it
// when the iterator points to a mock object.
}
// Combine the overall min/max
double minSignal = DBL_MAX;
double maxSignal = -DBL_MAX;
auto inf = std::numeric_limits<double>::infinity();
for (size_t i=0; i < iterators.size(); i++)
{
delete iterators[i];
double signal;
signal = intervals[i].minValue();
if (signal != inf && signal < minSignal) minSignal = signal;
signal = intervals[i].maxValue();
if (signal != inf && signal > maxSignal) maxSignal = signal;
}
// Set the lowest element to the smallest non-zero element.
if (minSignal == DBL_MAX)
{
minSignal = defaultMin;
maxSignal = defaultMax;
}
QwtDoubleInterval minMaxContainer;
if (minSignal < maxSignal)
minMaxContainer = QwtDoubleInterval(minSignal, maxSignal);
else
{
if (minSignal != 0)
// Possibly only one value in range
minMaxContainer = QwtDoubleInterval(minSignal*0.5, minSignal*1.5);
else
// Other default value
minMaxContainer = QwtDoubleInterval(defaultMin, defaultMax);
}
return minMaxContainer;
}
/** Set the workspace being sliced
*
* @param ws :: IMDWorkspace */
void LineViewer::setWorkspace(Mantid::API::IMDWorkspace_sptr ws)
{
m_ws = ws;
m_thickness = VMD(ws->getNumDims());
createDimensionWidgets();
// Update the dimensions shown in the original workspace
m_lineOptions->setOriginalWorkspace(m_ws);
}
/** Set the original workspace, to show the axes plot choice */
void LinePlotOptions::setOriginalWorkspace(Mantid::API::IMDWorkspace_sptr ws) {
if (!ws)
return;
for (size_t d = 0; d < (ws->getNumDims()); d++) {
IMDDimension_const_sptr dim = ws->getDimension(d);
std::string text = dim->getName();
std::string tooltip =
"Use the " + dim->getName() + " dimension as the X plot axis.";
const bool bIntegrated = dim->getIsIntegrated();
// Index into the radio buttons array
int index = int(d) + 2;
if (m_radPlots.size() > index) {
m_radPlots[index]->setText(QString::fromStdString(text));
m_radPlots[index]->setToolTip(QString::fromStdString(tooltip));
} else
addPlotRadioButton(text, tooltip, bIntegrated);
}
}
/**
* Check the inputs for invalid values
* @returns A map with validation warnings.
*/
std::map<std::string, std::string> SetMDFrame::validateInputs() {
std::map<std::string, std::string> invalidProperties;
Mantid::API::IMDWorkspace_sptr ws = getProperty("InputWorkspace");
if (!boost::dynamic_pointer_cast<Mantid::API::IMDEventWorkspace>(ws) &&
!boost::dynamic_pointer_cast<Mantid::API::IMDHistoWorkspace>(ws)) {
invalidProperties.insert(
std::make_pair("InputWorkspace", "The input workspace has to be either "
"an MDEvent or MDHisto Workspace."));
}
std::vector<int> axesInts = this->getProperty("Axes");
Kernel::MDAxisValidator axisChecker(axesInts, ws->getNumDims(), true);
auto axisErrors = axisChecker.validate();
for (auto iter = axisErrors.begin(); iter != axisErrors.end(); iter++) {
invalidProperties.insert(*iter);
}
return invalidProperties;
}
/** Compare the dimensions etc. of two MDWorkspaces
*/
void CompareMDWorkspaces::compareMDGeometry(
Mantid::API::IMDWorkspace_sptr ws1, Mantid::API::IMDWorkspace_sptr ws2) {
compare(ws1->getNumDims(), ws2->getNumDims(),
"Workspaces have a different number of dimensions");
for (size_t d = 0; d < ws1->getNumDims(); d++) {
IMDDimension_const_sptr dim1 = ws1->getDimension(d);
IMDDimension_const_sptr dim2 = ws2->getDimension(d);
compare(dim1->getName(), dim2->getName(),
"Dimension #" + Strings::toString(d) + " has a different name");
compare(dim1->getUnits(), dim2->getUnits(),
"Dimension #" + Strings::toString(d) + " has different units");
compare(dim1->getNBins(), dim2->getNBins(),
"Dimension #" + Strings::toString(d) +
" has a different number of bins");
compareTol(dim1->getMinimum(), dim2->getMinimum(),
"Dimension #" + Strings::toString(d) +
" has a different minimum");
compareTol(dim1->getMaximum(), dim2->getMaximum(),
"Dimension #" + Strings::toString(d) +
" has a different maximum");
}
}
/** Execute the algorithm.
*/
void TransformMD::exec() {
Mantid::API::IMDWorkspace_sptr inWS;
Mantid::API::IMDWorkspace_sptr outWS;
inWS = getProperty("InputWorkspace");
outWS = getProperty("OutputWorkspace");
std::string outName = getPropertyValue("OutputWorkspace");
if (boost::dynamic_pointer_cast<MatrixWorkspace>(inWS))
throw std::runtime_error("TransformMD can only transform a "
"MDHistoWorkspace or a MDEventWorkspace.");
if (outWS != inWS) {
// NOT in-place. So first we clone inWS into outWS
IAlgorithm_sptr clone =
this->createChildAlgorithm("CloneMDWorkspace", 0.0, 0.5, true);
clone->setProperty("InputWorkspace", inWS);
clone->executeAsChildAlg();
outWS = clone->getProperty("OutputWorkspace");
}
if (!outWS)
throw std::runtime_error("Invalid output workspace.");
size_t nd = outWS->getNumDims();
m_scaling = getProperty("Scaling");
m_offset = getProperty("Offset");
// Replicate single values
if (m_scaling.size() == 1)
m_scaling = std::vector<double>(nd, m_scaling[0]);
if (m_offset.size() == 1)
m_offset = std::vector<double>(nd, m_offset[0]);
// Check the size
if (m_scaling.size() != nd)
throw std::invalid_argument("Scaling argument must be either length 1 or "
"match the number of dimensions.");
if (m_offset.size() != nd)
throw std::invalid_argument("Offset argument must be either length 1 or "
"match the number of dimensions.");
// Transform the dimensions
outWS->transformDimensions(m_scaling, m_offset);
MDHistoWorkspace_sptr histo =
boost::dynamic_pointer_cast<MDHistoWorkspace>(outWS);
IMDEventWorkspace_sptr event =
boost::dynamic_pointer_cast<IMDEventWorkspace>(outWS);
if (histo) {
// Recalculate all the values since the dimensions changed.
histo->cacheValues();
// Expect first 3 dimensions to be -1 for changing conventions
for (int i = 0; i < static_cast<int>(m_scaling.size()); i++)
if (m_scaling[i] < 0) {
std::vector<int> axes(m_scaling.size()); // vector with ints.
std::iota(std::begin(axes), std::end(axes), 0); // Fill with 0, 1, ...
axes[0] = i;
axes[i] = 0;
if (i > 0)
histo = transposeMD(histo, axes);
signal_t *signals = histo->getSignalArray();
signal_t *errorsSq = histo->getErrorSquaredArray();
signal_t *numEvents = histo->getNumEventsArray();
// Find the extents
size_t nPoints =
static_cast<size_t>(histo->getDimension(0)->getNBins());
size_t mPoints = 1;
for (size_t k = 1; k < histo->getNumDims(); k++) {
mPoints *= static_cast<size_t>(histo->getDimension(k)->getNBins());
}
// other dimensions
for (size_t j = 0; j < mPoints; j++) {
this->reverse(signals + j * nPoints, nPoints);
this->reverse(errorsSq + j * nPoints, nPoints);
this->reverse(numEvents + j * nPoints, nPoints);
}
histo = transposeMD(histo, axes);
}
// Pass on the display normalization from the input workspace
histo->setDisplayNormalization(inWS->displayNormalizationHisto());
this->setProperty("OutputWorkspace", histo);
} else if (event) {
// Call the method for this type of MDEventWorkspace.
CALL_MDEVENT_FUNCTION(this->doTransform, outWS);
Progress *prog2 = nullptr;
ThreadScheduler *ts = new ThreadSchedulerFIFO();
ThreadPool tp(ts, 0, prog2);
event->splitAllIfNeeded(ts);
// prog2->resetNumSteps( ts->size(), 0.4, 0.6);
tp.joinAll();
event->refreshCache();
// Set the special coordinate system.
IMDEventWorkspace_sptr inEvent =
boost::dynamic_pointer_cast<IMDEventWorkspace>(inWS);
event->setCoordinateSystem(inEvent->getSpecialCoordinateSystem());
if (m_scaling[0] < 0) {
// Only need these 2 algorithms for transforming with negative number
std::vector<double> extents;
std::vector<std::string> names, units;
for (size_t d = 0; d < nd; d++) {
Geometry::IMDDimension_const_sptr dim = event->getDimension(d);
// Find the extents
extents.push_back(dim->getMinimum());
extents.push_back(dim->getMaximum());
names.push_back(std::string(dim->getName()));
units.push_back(dim->getUnits());
}
Algorithm_sptr create_alg = createChildAlgorithm("CreateMDWorkspace");
create_alg->setProperty("Dimensions", static_cast<int>(nd));
create_alg->setProperty("EventType", event->getEventTypeName());
create_alg->setProperty("Extents", extents);
create_alg->setProperty("Names", names);
create_alg->setProperty("Units", units);
create_alg->setPropertyValue("OutputWorkspace", "__none");
create_alg->executeAsChildAlg();
Workspace_sptr none = create_alg->getProperty("OutputWorkspace");
AnalysisDataService::Instance().addOrReplace(outName, event);
AnalysisDataService::Instance().addOrReplace("__none", none);
Mantid::API::BoxController_sptr boxController = event->getBoxController();
std::vector<int> splits;
for (size_t d = 0; d < nd; d++) {
splits.push_back(static_cast<int>(boxController->getSplitInto(d)));
}
Algorithm_sptr merge_alg = createChildAlgorithm("MergeMD");
merge_alg->setPropertyValue("InputWorkspaces", outName + ",__none");
merge_alg->setProperty("SplitInto", splits);
merge_alg->setProperty(
"SplitThreshold",
static_cast<int>(boxController->getSplitThreshold()));
merge_alg->setProperty("MaxRecursionDepth", 13);
merge_alg->executeAsChildAlg();
event = merge_alg->getProperty("OutputWorkspace");
AnalysisDataService::Instance().remove("__none");
}
this->setProperty("OutputWorkspace", event);
}
}