/*
Execute the transformtion. Generates an output IMDEventWorkspace.
@return the constructed IMDEventWorkspace following the transformation.
@param ws: Input MatrixWorkspace const shared pointer
*/
IMDEventWorkspace_sptr ReflectometryTransformQxQz::execute(MatrixWorkspace_const_sptr inputWs) const
{
const size_t nbinsx = 10;
const size_t nbinsz = 10;
auto ws = boost::make_shared<MDEventWorkspace<MDLeanEvent<2>,2> >();
MDHistoDimension_sptr qxDim = MDHistoDimension_sptr(new MDHistoDimension("Qx","qx","(Ang^-1)", static_cast<Mantid::coord_t>(m_qxMin), static_cast<Mantid::coord_t>(m_qxMax), nbinsx));
MDHistoDimension_sptr qzDim = MDHistoDimension_sptr(new MDHistoDimension("Qz","qz","(Ang^-1)", static_cast<Mantid::coord_t>(m_qzMin), static_cast<Mantid::coord_t>(m_qzMax), nbinsz));
ws->addDimension(qxDim);
ws->addDimension(qzDim);
// Set some reasonable values for the box controller
BoxController_sptr bc = ws->getBoxController();
bc->setSplitInto(2);
bc->setSplitThreshold(10);
// Initialize the workspace.
ws->initialize();
// Start with a MDGridBox.
ws->splitBox();
auto spectraAxis = inputWs->getAxis(1);
for(size_t index = 0; index < inputWs->getNumberHistograms(); ++index)
{
auto counts = inputWs->readY(index);
auto wavelengths = inputWs->readX(index);
auto errors = inputWs->readE(index);
const size_t nInputBins = wavelengths.size() -1;
const double theta_final = spectraAxis->getValue(index);
m_QxCalculation.setThetaFinal(theta_final);
m_QzCalculation.setThetaFinal(theta_final);
//Loop over all bins in spectra
for(size_t binIndex = 0; binIndex < nInputBins; ++binIndex)
{
const double& wavelength = 0.5*(wavelengths[binIndex] + wavelengths[binIndex+1]);
double _qx = m_QxCalculation.execute(wavelength);
double _qz = m_QzCalculation.execute(wavelength);
double centers[2] = {_qx, _qz};
ws->addEvent(MDLeanEvent<2>(float(counts[binIndex]), float(errors[binIndex]*errors[binIndex]), centers));
}
ws->splitAllIfNeeded(NULL);
}
return ws;
}
boost::optional<int> findRecursionDepthForTopLevelSplitting(
const std::string &workspaceName,
std::unique_ptr<WorkspaceProvider> workspaceProvider) {
const int topLevelRecursionDepth = 1;
boost::optional<int> recursionDepth;
if (workspaceProvider->canProvideWorkspace(workspaceName)) {
auto workspace =
boost::dynamic_pointer_cast<Mantid::API::IMDEventWorkspace>(
workspaceProvider->fetchWorkspace(workspaceName));
auto boxController = workspace->getBoxController();
boost::optional<std::vector<size_t>> topLevelSplits =
boxController->getSplitTopInto();
if (boxController->getSplitTopInto()) {
recursionDepth = topLevelRecursionDepth;
}
}
return recursionDepth;
}
/**
* Creates an MD workspace
* @param a : pointer to the first dimension of the MDWorkspace
*@param b : pointer to the second dimension of the MDWorkspace
* @param boxController : controls how the MDWorkspace will be split
*/
boost::shared_ptr<MDEventWorkspace2Lean>
ReflectometryTransform::createMDWorkspace(
Mantid::Geometry::IMDDimension_sptr a,
Mantid::Geometry::IMDDimension_sptr b,
BoxController_sptr boxController) const {
auto ws = boost::make_shared<MDEventWorkspace2Lean>();
ws->addDimension(a);
ws->addDimension(b);
BoxController_sptr wsbc = ws->getBoxController(); // Get the box controller
wsbc->setSplitInto(boxController->getSplitInto(0));
wsbc->setMaxDepth(boxController->getMaxDepth());
wsbc->setSplitThreshold(boxController->getSplitThreshold());
// Initialize the workspace.
ws->initialize();
// Start with a MDGridBox.
ws->splitBox();
return ws;
}
/**
* Create an output event workspace filled with data simulated with the fitting
* function.
* @param baseName :: The base name for the workspace
* @param inputWorkspace :: The input workspace.
* @param values :: The calculated values
* @param outputWorkspacePropertyName :: The property name
*/
boost::shared_ptr<API::Workspace> FitMD::createEventOutputWorkspace(
const std::string &baseName, const API::IMDEventWorkspace &inputWorkspace,
const API::FunctionValues &values,
const std::string &outputWorkspacePropertyName) {
auto outputWS =
MDEventFactory::CreateMDWorkspace(inputWorkspace.getNumDims(), "MDEvent");
// Add events
// TODO: Generalize to ND (the current framework is a bit limiting)
auto mdWS = boost::dynamic_pointer_cast<
DataObjects::MDEventWorkspace<DataObjects::MDEvent<4>, 4>>(outputWS);
if (!mdWS) {
return boost::shared_ptr<API::Workspace>();
}
// Bins extents and meta data
for (size_t i = 0; i < 4; ++i) {
boost::shared_ptr<const Geometry::IMDDimension> inputDim =
inputWorkspace.getDimension(i);
Geometry::MDHistoDimensionBuilder builder;
builder.setName(inputDim->getName());
builder.setId(inputDim->getDimensionId());
builder.setUnits(inputDim->getUnits());
builder.setNumBins(inputDim->getNBins());
builder.setMin(inputDim->getMinimum());
builder.setMax(inputDim->getMaximum());
builder.setFrameName(inputDim->getMDFrame().name());
outputWS->addDimension(builder.create());
}
// Run information
outputWS->copyExperimentInfos(inputWorkspace);
// Coordinates
outputWS->setCoordinateSystem(inputWorkspace.getSpecialCoordinateSystem());
// Set sensible defaults for splitting behaviour
BoxController_sptr bc = outputWS->getBoxController();
bc->setSplitInto(3);
bc->setSplitThreshold(3000);
outputWS->initialize();
outputWS->splitBox();
auto inputIter = inputWorkspace.createIterator();
size_t resultValueIndex(0);
const float errorSq = 0.0;
do {
const size_t numEvents = inputIter->getNumEvents();
const float signal =
static_cast<float>(values.getCalculated(resultValueIndex));
for (size_t i = 0; i < numEvents; ++i) {
coord_t centers[4] = {
inputIter->getInnerPosition(i, 0), inputIter->getInnerPosition(i, 1),
inputIter->getInnerPosition(i, 2), inputIter->getInnerPosition(i, 3)};
mdWS->addEvent(MDEvent<4>(signal, errorSq, inputIter->getInnerRunIndex(i),
inputIter->getInnerDetectorID(i), centers));
}
++resultValueIndex;
} while (inputIter->next());
delete inputIter;
// This splits up all the boxes according to split thresholds and sizes.
auto threadScheduler = new Kernel::ThreadSchedulerFIFO();
Kernel::ThreadPool threadPool(threadScheduler);
outputWS->splitAllIfNeeded(threadScheduler);
threadPool.joinAll();
outputWS->refreshCache();
// Store it
if (!outputWorkspacePropertyName.empty()) {
declareProperty(
new API::WorkspaceProperty<API::IMDEventWorkspace>(
outputWorkspacePropertyName, "", Direction::Output),
"Name of the output Workspace holding resulting simulated spectrum");
m_manager->setPropertyValue(outputWorkspacePropertyName,
baseName + "Workspace");
m_manager->setProperty(outputWorkspacePropertyName, outputWS);
}
return outputWS;
}
