/**
* Creates the output workspace for this algorithm
* @param inputWorkspace A parent workspace to initialize from.
* @return A pointer to the output workspace.
*/
API::MatrixWorkspace_sptr Transpose::createOutputWorkspace(
API::MatrixWorkspace_const_sptr inputWorkspace) {
Mantid::API::Axis *yAxis = getVerticalAxis(inputWorkspace);
const size_t oldNhist = inputWorkspace->getNumberHistograms();
const auto &inX = inputWorkspace->x(0);
const size_t oldYlength = inputWorkspace->blocksize();
const size_t oldVerticalAxislength = yAxis->length();
// The input Y axis may be binned so the new X data should be too
size_t newNhist(oldYlength), newXsize(oldVerticalAxislength),
newYsize(oldNhist);
MatrixWorkspace_sptr outputWorkspace = inputWorkspace->cloneEmpty();
outputWorkspace->initialize(newNhist, newXsize, newYsize);
outputWorkspace->setTitle(inputWorkspace->getTitle());
outputWorkspace->setComment(inputWorkspace->getComment());
outputWorkspace->copyExperimentInfoFrom(inputWorkspace.get());
outputWorkspace->setYUnit(inputWorkspace->YUnit());
outputWorkspace->setYUnitLabel(inputWorkspace->YUnitLabel());
outputWorkspace->setDistribution(inputWorkspace->isDistribution());
// Create a new numeric axis for Y the same length as the old X array
// Values come from input X
API::NumericAxis *newYAxis(nullptr);
if (inputWorkspace->isHistogramData()) {
newYAxis = new API::BinEdgeAxis(inX.rawData());
} else {
newYAxis = new API::NumericAxis(inX.rawData());
}
newYAxis->unit() = inputWorkspace->getAxis(0)->unit();
outputWorkspace->getAxis(0)->unit() = inputWorkspace->getAxis(1)->unit();
outputWorkspace->replaceAxis(1, newYAxis);
setProperty("OutputWorkspace", outputWorkspace);
return outputWorkspace;
}
/** Creates the output workspace, setting the axes according to the input
* binning parameters
* @param[in] inputWorkspace The input workspace
* @param[in] binParams The bin parameters from the user
* @param[out] newAxis The 'vertical' axis defined by the given
* parameters
* @return A pointer to the newly-created workspace
*/
API::MatrixWorkspace_sptr SofQWCentre::setUpOutputWorkspace(
API::MatrixWorkspace_const_sptr inputWorkspace,
const std::vector<double> &binParams, std::vector<double> &newAxis) {
// Create vector to hold the new X axis values
HistogramData::BinEdges xAxis(inputWorkspace->sharedX(0));
const int xLength = static_cast<int>(xAxis.size());
// Create a vector to temporarily hold the vertical ('y') axis and populate
// that
const int yLength = static_cast<int>(
VectorHelper::createAxisFromRebinParams(binParams, newAxis));
// Create the output workspace
MatrixWorkspace_sptr outputWorkspace = WorkspaceFactory::Instance().create(
inputWorkspace, yLength - 1, xLength, xLength - 1);
// Create a numeric axis to replace the default vertical one
Axis *const verticalAxis = new BinEdgeAxis(newAxis);
outputWorkspace->replaceAxis(1, verticalAxis);
// Now set the axis values
for (int i = 0; i < yLength - 1; ++i) {
outputWorkspace->setBinEdges(i, xAxis);
}
// Set the axis units
verticalAxis->unit() = UnitFactory::Instance().create("MomentumTransfer");
verticalAxis->title() = "|Q|";
// Set the X axis title (for conversion to MD)
outputWorkspace->getAxis(0)->title() = "Energy transfer";
outputWorkspace->setYUnit("");
outputWorkspace->setYUnitLabel("Intensity");
return outputWorkspace;
}
void SphericalAbsorption::exec()
{
// Retrieve the input workspace
m_inputWS = getProperty("InputWorkspace");
// Get the input parameters
retrieveBaseProperties();
// Create the output workspace
MatrixWorkspace_sptr correctionFactors = WorkspaceFactory::Instance().create(m_inputWS);
correctionFactors->isDistribution(true); // The output of this is a distribution
correctionFactors->setYUnit(""); // Need to explicitly set YUnit to nothing
correctionFactors->setYUnitLabel("Attenuation factor");
double m_sphRadius = getProperty("SphericalSampleRadius"); // in cm
IAlgorithm_sptr anvred = createSubAlgorithm("AnvredCorrection");
anvred->setProperty<MatrixWorkspace_sptr>("InputWorkspace", m_inputWS);
anvred->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", correctionFactors);
anvred->setProperty("PreserveEvents", true);
anvred->setProperty("ReturnTransmissionOnly", true);
anvred->setProperty("LinearScatteringCoef", m_refAtten);
anvred->setProperty("LinearAbsorptionCoef", m_scattering);
anvred->setProperty("Radius", m_sphRadius);
anvred->executeAsSubAlg();
// Get back the result
correctionFactors = anvred->getProperty("OutputWorkspace");
setProperty("OutputWorkspace", correctionFactors);
}
/** Initialise a workspace from its parent
* This sets values such as title, instrument, units, sample, spectramap.
* This does NOT copy any data.
*
* @param parent :: the parent workspace
* @param child :: the child workspace
* @param differentSize :: A flag to indicate if the two workspace will be different sizes
*/
void WorkspaceFactoryImpl::initializeFromParent(const MatrixWorkspace_const_sptr parent,
const MatrixWorkspace_sptr child, const bool differentSize) const
{
child->setTitle(parent->getTitle());
child->setComment(parent->getComment());
child->setInstrument(parent->getInstrument()); // This call also copies the SHARED POINTER to the parameter map
// This call will (should) perform a COPY of the parameter map.
child->instrumentParameters();
child->m_sample = parent->m_sample;
child->m_run = parent->m_run;
child->setYUnit(parent->m_YUnit);
child->setYUnitLabel(parent->m_YUnitLabel);
child->isDistribution(parent->isDistribution());
// Only copy the axes over if new sizes are not given
if ( !differentSize )
{
// Only copy mask map if same size for now. Later will need to check continued validity.
child->m_masks = parent->m_masks;
}
// Same number of histograms = copy over the spectra data
if (parent->getNumberHistograms() == child->getNumberHistograms())
{
for (size_t wi=0; wi<parent->getNumberHistograms(); wi++)
{
ISpectrum * childSpec = child->getSpectrum(wi);
const ISpectrum * parentSpec = parent->getSpectrum(wi);
// Copy spectrum number and detector IDs
childSpec->copyInfoFrom(*parentSpec);
}
}
// deal with axis
for (size_t i = 0; i < parent->m_axes.size(); ++i)
{
const size_t newAxisLength = child->getAxis(i)->length();
const size_t oldAxisLength = parent->getAxis(i)->length();
if ( !differentSize || newAxisLength == oldAxisLength )
{
// Need to delete the existing axis created in init above
delete child->m_axes[i];
// Now set to a copy of the parent workspace's axis
child->m_axes[i] = parent->m_axes[i]->clone(child.get());
}
else
{
if (! parent->getAxis(i)->isSpectra()) // WHY???
{
delete child->m_axes[i];
// Call the 'different length' clone variant
child->m_axes[i] = parent->m_axes[i]->clone(newAxisLength,child.get());
}
}
}
return;
}
MatrixWorkspace_sptr MonteCarloAbsorption::createOutputWorkspace(
const MatrixWorkspace &inputWS) const {
MatrixWorkspace_sptr outputWS = inputWS.clone();
// The algorithm computes the signal values at bin centres so they should
// be treated as a distribution
outputWS->setDistribution(true);
outputWS->setYUnit("");
outputWS->setYUnitLabel("Attenuation factor");
return outputWS;
}
MatrixWorkspace_sptr CalculateCarpenterSampleCorrection::createOutputWorkspace(
const MatrixWorkspace_sptr &inputWksp, const std::string ylabel) const {
MatrixWorkspace_sptr outputWS = create<HistoWorkspace>(*inputWksp);
// The algorithm computes the signal values at bin centres so they should
// be treated as a distribution
outputWS->setDistribution(true);
outputWS->setYUnit("");
outputWS->setYUnitLabel(ylabel);
return outputWS;
}
void SumEventsByLogValue::createBinnedOutput(
const Kernel::TimeSeriesProperty<T> *log) {
// If only the number of bins was given, add the min & max values of the log
if (m_binningParams.size() == 1) {
m_binningParams.insert(m_binningParams.begin(), log->minValue());
m_binningParams.push_back(
log->maxValue() *
1.000001); // Make it a tiny bit larger to cover full range
}
// XValues will be resized in createAxisFromRebinParams()
std::vector<double> XValues;
const int XLength =
VectorHelper::createAxisFromRebinParams(m_binningParams, XValues);
assert((int)XValues.size() == XLength);
// Create the output workspace - the factory will give back a Workspace2D
MatrixWorkspace_sptr outputWorkspace = WorkspaceFactory::Instance().create(
"Workspace2D", 1, XLength, XLength - 1);
// Copy the bin boundaries into the output workspace
outputWorkspace->mutableX(0) = XValues;
outputWorkspace->getAxis(0)->title() = m_logName;
outputWorkspace->setYUnit("Counts");
auto &Y = outputWorkspace->mutableY(0);
const int numSpec = static_cast<int>(m_inputWorkspace->getNumberHistograms());
Progress prog(this, 0.0, 1.0, numSpec);
PARALLEL_FOR_IF(Kernel::threadSafe(*m_inputWorkspace))
for (int spec = 0; spec < numSpec; ++spec) {
PARALLEL_START_INTERUPT_REGION
const IEventList &eventList = m_inputWorkspace->getSpectrum(spec);
const auto pulseTimes = eventList.getPulseTimes();
for (auto pulseTime : pulseTimes) {
// Find the value of the log at the time of this event
const double logValue = log->getSingleValue(pulseTime);
if (logValue >= XValues.front() && logValue < XValues.back()) {
PARALLEL_ATOMIC
++Y[VectorHelper::getBinIndex(XValues, logValue)];
}
}
prog.report();
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
// The errors are the sqrt of the counts so long as we don't deal with
// weighted events.
std::transform(Y.cbegin(), Y.cend(), outputWorkspace->mutableE(0).begin(),
(double (*)(double))std::sqrt);
setProperty("OutputWorkspace", outputWorkspace);
}
void IQTransform::exec()
{
MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
// Print a warning if the input workspace has more than one spectrum
if ( inputWS->getNumberHistograms() > 1 )
{
g_log.warning("This algorithm is intended for use on single-spectrum workspaces.\n"
"Only the first spectrum will be transformed.");
}
// Do background subtraction from a workspace first because it doesn't like
// potential conversion to point data that follows. Requires a temporary workspace.
MatrixWorkspace_sptr tmpWS;
MatrixWorkspace_sptr backgroundWS = getProperty("BackgroundWorkspace");
if ( backgroundWS ) tmpWS = subtractBackgroundWS(inputWS,backgroundWS);
else tmpWS = inputWS;
// Create the output workspace
const size_t length = tmpWS->blocksize();
MatrixWorkspace_sptr outputWS = WorkspaceFactory::Instance().create(inputWS,1,length,length);
m_label->setLabel("");
outputWS->setYUnit("");
// Copy the data over. Assume single spectrum input (output will be).
// Take the mid-point of histogram bins
if ( tmpWS->isHistogramData() )
{
VectorHelper::convertToBinCentre(tmpWS->readX(0),outputWS->dataX(0));
}
else
{
outputWS->setX(0,tmpWS->refX(0));
}
MantidVec& Y = outputWS->dataY(0) = tmpWS->dataY(0);
outputWS->dataE(0) = tmpWS->dataE(0);
// Subtract a constant background if requested
const double background = getProperty("BackgroundValue");
if ( background > 0.0 ) subtractBackgroundValue(Y,background);
// Select the desired transformation function and call it
TransformFunc f = m_transforms.find(getProperty("TransformType"))->second;
(this->*f)(outputWS);
// Need the generic label unit on this (unless the unit on the X axis hasn't changed)
if ( ! m_label->caption().empty() ) outputWS->getAxis(0)->unit() = m_label;
setProperty("OutputWorkspace",outputWS);
}
/** Execute the algorithm.
*/
void ResampleX::exec() {
// generically having access to the input workspace is a good idea
MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
bool inPlace = (inputWS == outputWS); // Rebinning in-place
m_isDistribution = inputWS->isDistribution();
m_isHistogram = inputWS->isHistogramData();
const int numSpectra = static_cast<int>(inputWS->getNumberHistograms());
// the easy parameters
m_useLogBinning = getProperty("LogBinning");
m_numBins = getProperty("NumberBins");
m_preserveEvents = getProperty("PreserveEvents");
// determine the xmin/xmax for the workspace
vector<double> xmins = getProperty("XMin");
vector<double> xmaxs = getProperty("XMax");
string error = determineXMinMax(inputWS, xmins, xmaxs);
if (!error.empty())
throw std::runtime_error(error);
bool common_limits = true;
{
double xmin_common = xmins[0];
double xmax_common = xmaxs[0];
for (size_t i = 1; i < xmins.size(); ++i) {
if (xmins[i] != xmin_common) {
common_limits = false;
break;
}
if (xmaxs[i] != xmax_common) {
common_limits = false;
break;
}
}
}
if (common_limits) {
g_log.debug() << "Common limits between all spectra\n";
} else {
g_log.debug() << "Does not have common limits between all spectra\n";
}
// start doing actual work
EventWorkspace_const_sptr inputEventWS =
boost::dynamic_pointer_cast<const EventWorkspace>(inputWS);
if (inputEventWS != nullptr) {
if (m_preserveEvents) {
if (inPlace) {
g_log.debug() << "Rebinning event workspace in place\n";
} else {
g_log.debug() << "Rebinning event workspace out of place\n";
outputWS = inputWS->clone();
}
auto outputEventWS =
boost::dynamic_pointer_cast<EventWorkspace>(outputWS);
if (common_limits) {
// get the delta from the first since they are all the same
BinEdges xValues(0);
const double delta = this->determineBinning(xValues.mutableRawData(),
xmins[0], xmaxs[0]);
g_log.debug() << "delta = " << delta << "\n";
outputEventWS->setAllX(xValues);
} else {
// initialize progress reporting.
Progress prog(this, 0.0, 1.0, numSpectra);
// do the rebinning
PARALLEL_FOR_IF(Kernel::threadSafe(*inputEventWS, *outputWS))
for (int wkspIndex = 0; wkspIndex < numSpectra; ++wkspIndex) {
PARALLEL_START_INTERUPT_REGION
BinEdges xValues(0);
const double delta = this->determineBinning(
xValues.mutableRawData(), xmins[wkspIndex], xmaxs[wkspIndex]);
g_log.debug() << "delta[wkspindex=" << wkspIndex << "] = " << delta
<< " xmin=" << xmins[wkspIndex]
<< " xmax=" << xmaxs[wkspIndex] << "\n";
outputEventWS->setHistogram(wkspIndex, xValues);
prog.report(name()); // Report progress
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
}
} // end if (m_preserveEvents)
else // event workspace -> matrix workspace
{
//--------- Different output, OR you're inplace but not preserving Events
g_log.information() << "Creating a Workspace2D from the EventWorkspace "
<< inputEventWS->getName() << ".\n";
outputWS = create<DataObjects::Workspace2D>(
*inputWS, numSpectra, HistogramData::BinEdges(m_numBins + 1));
// Initialize progress reporting.
Progress prog(this, 0.0, 1.0, numSpectra);
// Go through all the histograms and set the data
PARALLEL_FOR_IF(Kernel::threadSafe(*inputEventWS, *outputWS))
for (int wkspIndex = 0; wkspIndex < numSpectra; ++wkspIndex) {
PARALLEL_START_INTERUPT_REGION
// Set the X axis for each output histogram
MantidVec xValues;
const double delta =
this->determineBinning(xValues, xmins[wkspIndex], xmaxs[wkspIndex]);
g_log.debug() << "delta[wkspindex=" << wkspIndex << "] = " << delta
<< "\n";
outputWS->setBinEdges(wkspIndex, xValues);
// Get a const event list reference. inputEventWS->dataY() doesn't work.
const EventList &el = inputEventWS->getSpectrum(wkspIndex);
MantidVec y_data, e_data;
// The EventList takes care of histogramming.
el.generateHistogram(xValues, y_data, e_data);
// Copy the data over.
outputWS->mutableY(wkspIndex) = std::move(y_data);
outputWS->mutableE(wkspIndex) = std::move(e_data);
// Report progress
prog.report(name());
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
// Copy all the axes
for (int i = 1; i < inputWS->axes(); i++) {
outputWS->replaceAxis(i, inputWS->getAxis(i)->clone(outputWS.get()));
outputWS->getAxis(i)->unit() = inputWS->getAxis(i)->unit();
}
// Copy the units over too.
for (int i = 0; i < outputWS->axes(); ++i) {
outputWS->getAxis(i)->unit() = inputWS->getAxis(i)->unit();
}
outputWS->setYUnit(inputEventWS->YUnit());
outputWS->setYUnitLabel(inputEventWS->YUnitLabel());
}
// Assign it to the output workspace property
setProperty("OutputWorkspace", outputWS);
return;
} else // (inputeventWS != NULL)
/** Execute the algorithm.
*/
void LoadNXSPE::exec() {
std::string filename = getProperty("Filename");
// quicly check if it's really nxspe
try {
::NeXus::File file(filename);
std::string mainEntry = (*(file.getEntries().begin())).first;
file.openGroup(mainEntry, "NXentry");
file.openData("definition");
if (identiferConfidence(file.getStrData()) < 1) {
throw std::invalid_argument("Not NXSPE");
}
file.close();
} catch (...) {
throw std::invalid_argument("Not NeXus or not NXSPE");
}
// Load the data
::NeXus::File file(filename);
std::string mainEntry = (*(file.getEntries().begin())).first;
file.openGroup(mainEntry, "NXentry");
file.openGroup("NXSPE_info", "NXcollection");
std::map<std::string, std::string> entries = file.getEntries();
std::vector<double> temporary;
double fixed_energy, psi = 0.;
if (!entries.count("fixed_energy")) {
throw std::invalid_argument("fixed_energy field was not found");
}
file.openData("fixed_energy");
file.getData(temporary);
fixed_energy = temporary.at(0);
file.closeData();
if (entries.count("psi")) {
file.openData("psi");
file.getData(temporary);
psi = temporary.at(0);
file.closeData();
}
int kikfscaling = 0;
if (entries.count("ki_over_kf_scaling")) {
file.openData("ki_over_kf_scaling");
std::vector<int> temporaryint;
file.getData(temporaryint);
kikfscaling = temporaryint.at(0);
file.closeData();
}
file.closeGroup(); // NXSPE_Info
file.openGroup("data", "NXdata");
entries = file.getEntries();
if (!entries.count("data")) {
throw std::invalid_argument("data field was not found");
}
file.openData("data");
::NeXus::Info info = file.getInfo();
std::size_t numSpectra = static_cast<std::size_t>(info.dims.at(0));
std::size_t numBins = static_cast<std::size_t>(info.dims.at(1));
std::vector<double> data;
file.getData(data);
file.closeData();
if (!entries.count("error")) {
throw std::invalid_argument("error field was not found");
}
file.openData("error");
std::vector<double> error;
file.getData(error);
file.closeData();
if (!entries.count("energy")) {
throw std::invalid_argument("energy field was not found");
}
file.openData("energy");
std::vector<double> energies;
file.getData(energies);
file.closeData();
if (!entries.count("azimuthal")) {
throw std::invalid_argument("azimuthal field was not found");
}
file.openData("azimuthal");
std::vector<double> azimuthal;
file.getData(azimuthal);
file.closeData();
if (!entries.count("azimuthal_width")) {
throw std::invalid_argument("azimuthal_width field was not found");
}
file.openData("azimuthal_width");
std::vector<double> azimuthal_width;
file.getData(azimuthal_width);
file.closeData();
if (!entries.count("polar")) {
throw std::invalid_argument("polar field was not found");
}
file.openData("polar");
std::vector<double> polar;
file.getData(polar);
file.closeData();
if (!entries.count("polar_width")) {
throw std::invalid_argument("polar_width field was not found");
}
file.openData("polar_width");
std::vector<double> polar_width;
file.getData(polar_width);
file.closeData();
// distance might not have been saved in all NXSPE files
std::vector<double> distance;
if (entries.count("distance")) {
file.openData("distance");
file.getData(distance);
file.closeData();
}
file.closeGroup(); // data group
file.closeGroup(); // Main entry
file.close();
// check if dimensions of the vectors are correct
if ((error.size() != data.size()) || (azimuthal.size() != numSpectra) ||
(azimuthal_width.size() != numSpectra) || (polar.size() != numSpectra) ||
(polar_width.size() != numSpectra) ||
((energies.size() != numBins) && (energies.size() != numBins + 1))) {
throw std::invalid_argument(
"incompatible sizes of fields in the NXSPE file");
}
MatrixWorkspace_sptr outputWS = boost::dynamic_pointer_cast<MatrixWorkspace>(
WorkspaceFactory::Instance().create("Workspace2D", numSpectra,
energies.size(), numBins));
// Need to get hold of the parameter map
outputWS->getAxis(0)->unit() = UnitFactory::Instance().create("DeltaE");
outputWS->setYUnit("SpectraNumber");
// add logs
outputWS->mutableRun().addLogData(
new PropertyWithValue<double>("Ei", fixed_energy));
outputWS->mutableRun().addLogData(new PropertyWithValue<double>("psi", psi));
outputWS->mutableRun().addLogData(new PropertyWithValue<std::string>(
"ki_over_kf_scaling", kikfscaling == 1 ? "true" : "false"));
// Set Goniometer
Geometry::Goniometer gm;
gm.pushAxis("psi", 0, 1, 0, psi);
outputWS->mutableRun().setGoniometer(gm, true);
// generate instrument
Geometry::Instrument_sptr instrument(new Geometry::Instrument("NXSPE"));
outputWS->setInstrument(instrument);
Geometry::ObjComponent *source = new Geometry::ObjComponent("source");
source->setPos(0.0, 0.0, -10.0);
instrument->add(source);
instrument->markAsSource(source);
Geometry::ObjComponent *sample = new Geometry::ObjComponent("sample");
instrument->add(sample);
instrument->markAsSamplePos(sample);
Geometry::Object_const_sptr cuboid(
createCuboid(0.1, 0.1, 0.1)); // FIXME: memory hog on rendering. Also,
// make each detector separate size
for (std::size_t i = 0; i < numSpectra; ++i) {
double r = 1.0;
if (!distance.empty()) {
r = distance.at(i);
}
Kernel::V3D pos;
pos.spherical(r, polar.at(i), azimuthal.at(i));
Geometry::Detector *det =
new Geometry::Detector("pixel", static_cast<int>(i + 1), sample);
det->setPos(pos);
det->setShape(cuboid);
instrument->add(det);
instrument->markAsDetector(det);
}
Geometry::ParameterMap &pmap = outputWS->instrumentParameters();
std::vector<double>::iterator itdata = data.begin(), iterror = error.begin(),
itdataend, iterrorend;
API::Progress prog = API::Progress(this, 0.0, 0.9, numSpectra);
for (std::size_t i = 0; i < numSpectra; ++i) {
itdataend = itdata + numBins;
iterrorend = iterror + numBins;
outputWS->dataX(i) = energies;
if ((!boost::math::isfinite(*itdata)) || (*itdata <= -1e10)) // masked bin
{
outputWS->dataY(i) = std::vector<double>(numBins, 0);
outputWS->dataE(i) = std::vector<double>(numBins, 0);
pmap.addBool(outputWS->getDetector(i)->getComponentID(), "masked", true);
} else {
outputWS->dataY(i) = std::vector<double>(itdata, itdataend);
outputWS->dataE(i) = std::vector<double>(iterror, iterrorend);
}
itdata = (itdataend);
iterror = (iterrorend);
prog.report();
}
setProperty("OutputWorkspace", outputWS);
}
void SANSSolidAngleCorrection::exec() {
// Reduction property manager
const std::string reductionManagerName = getProperty("ReductionProperties");
boost::shared_ptr<PropertyManager> reductionManager;
if (PropertyManagerDataService::Instance().doesExist(reductionManagerName)) {
reductionManager =
PropertyManagerDataService::Instance().retrieve(reductionManagerName);
} else {
reductionManager = boost::make_shared<PropertyManager>();
PropertyManagerDataService::Instance().addOrReplace(reductionManagerName,
reductionManager);
}
// If the solid angle algorithm isn't in the reduction properties, add it
if (!reductionManager->existsProperty("SolidAngleAlgorithm")) {
AlgorithmProperty *algProp = new AlgorithmProperty("SolidAngleAlgorithm");
algProp->setValue(toString());
reductionManager->declareProperty(algProp);
}
MatrixWorkspace_const_sptr inputWS = getProperty("InputWorkspace");
DataObjects::EventWorkspace_const_sptr inputEventWS =
boost::dynamic_pointer_cast<const EventWorkspace>(inputWS);
if (inputEventWS)
return execEvent();
// Now create the output workspace
MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
if (outputWS != inputWS) {
outputWS = WorkspaceFactory::Instance().create(inputWS);
outputWS->isDistribution(true);
outputWS->setYUnit("");
outputWS->setYUnitLabel("Steradian");
setProperty("OutputWorkspace", outputWS);
}
const int numHists = static_cast<int>(inputWS->getNumberHistograms());
Progress progress(this, 0.0, 1.0, numHists);
// Number of X bins
const int xLength = static_cast<int>(inputWS->readY(0).size());
PARALLEL_FOR2(outputWS, inputWS)
for (int i = 0; i < numHists; ++i) {
PARALLEL_START_INTERUPT_REGION
outputWS->dataX(i) = inputWS->readX(i);
IDetector_const_sptr det;
try {
det = inputWS->getDetector(i);
} catch (Exception::NotFoundError &) {
g_log.warning() << "Spectrum index " << i
<< " has no detector assigned to it - discarding"
<< std::endl;
// Catch if no detector. Next line tests whether this happened - test
// placed
// outside here because Mac Intel compiler doesn't like 'continue' in a
// catch
// in an openmp block.
}
// If no detector found, skip onto the next spectrum
if (!det)
continue;
// Skip if we have a monitor or if the detector is masked.
if (det->isMonitor() || det->isMasked())
continue;
const MantidVec &YIn = inputWS->readY(i);
const MantidVec &EIn = inputWS->readE(i);
MantidVec &YOut = outputWS->dataY(i);
MantidVec &EOut = outputWS->dataE(i);
// Compute solid angle correction factor
const bool is_tube = getProperty("DetectorTubes");
const double tanTheta = tan(inputWS->detectorTwoTheta(det));
const double theta_term = sqrt(tanTheta * tanTheta + 1.0);
double corr;
if (is_tube) {
const double tanAlpha = tan(getYTubeAngle(det, inputWS));
const double alpha_term = sqrt(tanAlpha * tanAlpha + 1.0);
corr = alpha_term * theta_term * theta_term;
} else {
corr = theta_term * theta_term * theta_term;
}
// Correct data for all X bins
for (int j = 0; j < xLength; j++) {
YOut[j] = YIn[j] * corr;
EOut[j] = fabs(EIn[j] * corr);
}
progress.report("Solid Angle Correction");
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
setProperty("OutputMessage", "Solid angle correction applied");
}
/** Executes the algorithm. Reading in the file and creating and populating
* the output workspace
*
* @throw Exception::FileError If the Nexus file cannot be found/opened
* @throw std::invalid_argument If the optional properties are set to invalid
*values
*/
void LoadTOFRawNexus::exec() {
// The input properties
std::string filename = getPropertyValue("Filename");
m_signalNo = getProperty("Signal");
m_spec_min = getProperty("SpectrumMin");
m_spec_max = getProperty("SpectrumMax");
// Find the entry name we want.
std::string entry_name = LoadTOFRawNexus::getEntryName(filename);
// Count pixels and other setup
auto prog = new Progress(this, 0.0, 1.0, 10);
prog->doReport("Counting pixels");
std::vector<std::string> bankNames;
countPixels(filename, entry_name, bankNames);
g_log.debug() << "Workspace found to have " << m_numPixels << " pixels and "
<< m_numBins << " bins" << std::endl;
prog->setNumSteps(bankNames.size() + 5);
prog->doReport("Creating workspace");
// Start with a dummy WS just to hold the logs and load the instrument
MatrixWorkspace_sptr WS = WorkspaceFactory::Instance().create(
"Workspace2D", m_numPixels, m_numBins + 1, m_numBins);
// Load the logs
prog->doReport("Loading DAS logs");
g_log.debug() << "Loading DAS logs" << std::endl;
int nPeriods = 1; // Unused
std::unique_ptr<const TimeSeriesProperty<int>> periodLog(
new const TimeSeriesProperty<int>("period_log")); // Unused
LoadEventNexus::runLoadNexusLogs<MatrixWorkspace_sptr>(
filename, WS, *this, false, nPeriods, periodLog);
// Load the instrument
prog->report("Loading instrument");
g_log.debug() << "Loading instrument" << std::endl;
LoadEventNexus::runLoadInstrument<MatrixWorkspace_sptr>(filename, WS,
entry_name, this);
// Load the meta data, but don't stop on errors
prog->report("Loading metadata");
g_log.debug() << "Loading metadata" << std::endl;
try {
LoadEventNexus::loadEntryMetadata(filename, WS, entry_name);
} catch (std::exception &e) {
g_log.warning() << "Error while loading meta data: " << e.what()
<< std::endl;
}
// Set the spectrum number/detector ID at each spectrum. This is consistent
// with LoadEventNexus for non-ISIS files.
prog->report("Building Spectra Mapping");
g_log.debug() << "Building Spectra Mapping" << std::endl;
WS->rebuildSpectraMapping(false);
// And map ID to WI
g_log.debug() << "Mapping ID to WI" << std::endl;
const auto id_to_wi = WS->getDetectorIDToWorkspaceIndexMap();
// Load each bank sequentially
// PARALLEL_FOR1(WS)
for (auto bankName : bankNames) {
// PARALLEL_START_INTERUPT_REGION
prog->report("Loading bank " + bankName);
g_log.debug() << "Loading bank " << bankName << std::endl;
loadBank(filename, entry_name, bankName, WS, id_to_wi);
// PARALLEL_END_INTERUPT_REGION
}
// PARALLEL_CHECK_INTERUPT_REGION
// Set some units
if (m_xUnits == "Ang")
WS->getAxis(0)->setUnit("dSpacing");
else if (m_xUnits == "invAng")
WS->getAxis(0)->setUnit("MomentumTransfer");
else
// Default to TOF for any other string
WS->getAxis(0)->setUnit("TOF");
WS->setYUnit("Counts");
// Set to the output
setProperty("OutputWorkspace", WS);
delete prog;
}
/** Executes the rebin algorithm
*
* @throw runtime_error Thrown if the bin range does not intersect the range of
*the input workspace
*/
void Rebin::exec() {
// Get the input workspace
MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
// Are we preserving event workspace-iness?
bool PreserveEvents = getProperty("PreserveEvents");
// Rebinning in-place
bool inPlace = (inputWS == outputWS);
std::vector<double> rbParams =
rebinParamsFromInput(getProperty("Params"), *inputWS, g_log);
const bool dist = inputWS->isDistribution();
const bool isHist = inputWS->isHistogramData();
// workspace independent determination of length
const int histnumber = static_cast<int>(inputWS->getNumberHistograms());
//-------------------------------------------------------
bool fullBinsOnly = getProperty("FullBinsOnly");
MantidVecPtr XValues_new;
// create new output X axis
const int ntcnew = VectorHelper::createAxisFromRebinParams(
rbParams, XValues_new.access(), true, fullBinsOnly);
//---------------------------------------------------------------------------------
// Now, determine if the input workspace is actually an EventWorkspace
EventWorkspace_const_sptr eventInputWS =
boost::dynamic_pointer_cast<const EventWorkspace>(inputWS);
if (eventInputWS != NULL) {
//------- EventWorkspace as input -------------------------------------
EventWorkspace_sptr eventOutputWS =
boost::dynamic_pointer_cast<EventWorkspace>(outputWS);
if (inPlace && PreserveEvents) {
// -------------Rebin in-place, preserving events
// ----------------------------------------------
// This only sets the X axis. Actual rebinning will be done upon data
// access.
eventOutputWS->setAllX(XValues_new);
this->setProperty(
"OutputWorkspace",
boost::dynamic_pointer_cast<MatrixWorkspace>(eventOutputWS));
} else if (!inPlace && PreserveEvents) {
// -------- NOT in-place, but you want to keep events for some reason.
// ----------------------
// Must copy the event workspace to a new EventWorkspace (and bin that).
// Make a brand new EventWorkspace
eventOutputWS = boost::dynamic_pointer_cast<EventWorkspace>(
API::WorkspaceFactory::Instance().create(
"EventWorkspace", inputWS->getNumberHistograms(), 2, 1));
// Copy geometry over.
API::WorkspaceFactory::Instance().initializeFromParent(
inputWS, eventOutputWS, false);
// You need to copy over the data as well.
eventOutputWS->copyDataFrom((*eventInputWS));
// This only sets the X axis. Actual rebinning will be done upon data
// access.
eventOutputWS->setAllX(XValues_new);
// Cast to the matrixOutputWS and save it
this->setProperty(
"OutputWorkspace",
boost::dynamic_pointer_cast<MatrixWorkspace>(eventOutputWS));
} else {
//--------- Different output, OR you're inplace but not preserving Events
//--- create a Workspace2D -------
g_log.information() << "Creating a Workspace2D from the EventWorkspace "
<< eventInputWS->getName() << ".\n";
// Create a Workspace2D
// This creates a new Workspace2D through a torturous route using the
// WorkspaceFactory.
// The Workspace2D is created with an EMPTY CONSTRUCTOR
outputWS = WorkspaceFactory::Instance().create("Workspace2D", histnumber,
ntcnew, ntcnew - 1);
WorkspaceFactory::Instance().initializeFromParent(inputWS, outputWS,
true);
// Initialize progress reporting.
Progress prog(this, 0.0, 1.0, histnumber);
// Go through all the histograms and set the data
PARALLEL_FOR3(inputWS, eventInputWS, outputWS)
for (int i = 0; i < histnumber; ++i) {
PARALLEL_START_INTERUPT_REGION
// Set the X axis for each output histogram
outputWS->setX(i, XValues_new);
// Get a const event list reference. eventInputWS->dataY() doesn't work.
const EventList &el = eventInputWS->getEventList(i);
MantidVec y_data, e_data;
// The EventList takes care of histogramming.
el.generateHistogram(*XValues_new, y_data, e_data);
// Copy the data over.
outputWS->dataY(i).assign(y_data.begin(), y_data.end());
outputWS->dataE(i).assign(e_data.begin(), e_data.end());
// Report progress
prog.report(name());
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
// Copy all the axes
for (int i = 1; i < inputWS->axes(); i++) {
outputWS->replaceAxis(i, inputWS->getAxis(i)->clone(outputWS.get()));
outputWS->getAxis(i)->unit() = inputWS->getAxis(i)->unit();
}
// Copy the units over too.
for (int i = 0; i < outputWS->axes(); ++i)
outputWS->getAxis(i)->unit() = inputWS->getAxis(i)->unit();
outputWS->setYUnit(eventInputWS->YUnit());
outputWS->setYUnitLabel(eventInputWS->YUnitLabel());
// Assign it to the output workspace property
setProperty("OutputWorkspace", outputWS);
}
} // END ---- EventWorkspace
/**
* Execute the algorithm.
*/
void RebinByTimeBase::exec() {
using Mantid::DataObjects::EventWorkspace;
IEventWorkspace_sptr inWS = getProperty("InputWorkspace");
if (!boost::dynamic_pointer_cast<EventWorkspace>(inWS)) {
const std::string algName = this->name();
throw std::invalid_argument(
algName + " Algorithm requires an EventWorkspace as an input.");
}
MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
// retrieve the properties
const std::vector<double> inParams = getProperty("Params");
std::vector<double> rebinningParams;
// workspace independent determination of length
const int histnumber = static_cast<int>(inWS->getNumberHistograms());
const uint64_t nanoSecondsInASecond = static_cast<uint64_t>(1e9);
const DateAndTime runStartTime = inWS->run().startTime();
// The validator only passes parameters with size 1, or 3xn.
double tStep = 0;
if (inParams.size() >= 3) {
// Use the start of the run to offset the times provided by the user. pulse
// time of the events are absolute.
const DateAndTime startTime = runStartTime + inParams[0];
const DateAndTime endTime = runStartTime + inParams[2];
// Rebinning params in nanoseconds.
rebinningParams.push_back(
static_cast<double>(startTime.totalNanoseconds()));
tStep = inParams[1] * nanoSecondsInASecond;
rebinningParams.push_back(tStep);
rebinningParams.push_back(static_cast<double>(endTime.totalNanoseconds()));
} else if (inParams.size() == 1) {
const uint64_t xmin = getMinX(inWS);
const uint64_t xmax = getMaxX(inWS);
rebinningParams.push_back(static_cast<double>(xmin));
tStep = inParams[0] * nanoSecondsInASecond;
rebinningParams.push_back(tStep);
rebinningParams.push_back(static_cast<double>(xmax));
}
// Validate the timestep.
if (tStep <= 0) {
throw std::invalid_argument(
"Cannot have a timestep less than or equal to zero.");
}
// Initialize progress reporting.
Progress prog(this, 0.0, 1.0, histnumber);
MantidVecPtr XValues_new;
// create new X axis, with absolute times in seconds.
const int ntcnew = VectorHelper::createAxisFromRebinParams(
rebinningParams, XValues_new.access());
ConvertToRelativeTime transformToRelativeT(runStartTime);
// Transform the output into relative times in seconds.
MantidVec OutXValues_scaled(XValues_new->size());
std::transform(XValues_new->begin(), XValues_new->end(),
OutXValues_scaled.begin(), transformToRelativeT);
outputWS = WorkspaceFactory::Instance().create("Workspace2D", histnumber,
ntcnew, ntcnew - 1);
WorkspaceFactory::Instance().initializeFromParent(inWS, outputWS, true);
// Copy all the axes
for (int i = 1; i < inWS->axes(); i++) {
outputWS->replaceAxis(i, inWS->getAxis(i)->clone(outputWS.get()));
outputWS->getAxis(i)->unit() = inWS->getAxis(i)->unit();
}
// X-unit is relative time since the start of the run.
outputWS->getAxis(0)->unit() = boost::make_shared<Units::Time>();
// Copy the units over too.
for (int i = 1; i < outputWS->axes(); ++i) {
outputWS->getAxis(i)->unit() = inWS->getAxis(i)->unit();
}
outputWS->setYUnit(inWS->YUnit());
outputWS->setYUnitLabel(inWS->YUnitLabel());
// Assign it to the output workspace property
setProperty("OutputWorkspace", outputWS);
// Go through all the histograms and set the data
doHistogramming(inWS, outputWS, XValues_new, OutXValues_scaled, prog);
}
/** Load an individual "<SASentry>" element into a new workspace. It extends the
*LoadCanSAS1D
* in the direction of loading the SAStransmission_spectrum as well. (which was
*introduced in version 1.1)
*
* @param[in] workspaceData points to a "<SASentry>" element
* @param[out] runName the name this workspace should take
* @return dataWS this workspace will be filled with data
* @throw NotFoundError if any expected elements couldn't be read
* @throw NotImplementedError if the entry doesn't contain exactly one run
*/
MatrixWorkspace_sptr
LoadCanSAS1D2::loadEntry(Poco::XML::Node *const workspaceData,
std::string &runName) {
MatrixWorkspace_sptr main_out =
LoadCanSAS1D::loadEntry(workspaceData, runName);
bool loadTrans = getProperty("LoadTransmission");
if (!loadTrans)
return main_out; // all done. It is not to load the transmission, nor check
// if it exists.
Element *workspaceElem = dynamic_cast<Element *>(workspaceData);
// check(workspaceElem, "<SASentry>"); // already done at
// LoadCanSAS1D::loadEntry
Poco::AutoPtr<NodeList> sasTransList =
workspaceElem->getElementsByTagName("SAStransmission_spectrum");
if (!sasTransList->length()) {
g_log.warning() << "There is no transmission data for this file "
<< getPropertyValue("Filename") << std::endl;
return main_out;
}
for (unsigned short trans_index = 0; trans_index < sasTransList->length();
trans_index++) {
// foreach SAStransmission_spectrum
Node *idataElem = sasTransList->item(trans_index);
Element *sasTrasElem = dynamic_cast<Element *>(idataElem);
if (!sasTrasElem)
continue;
std::vector<API::MatrixWorkspace_sptr> &group =
(sasTrasElem->getAttribute("name") == "sample") ? trans_gp
: trans_can_gp;
// getting number of Tdata elements in the xml file
Poco::AutoPtr<NodeList> tdataElemList =
sasTrasElem->getElementsByTagName("Tdata");
size_t nBins = tdataElemList->length();
MatrixWorkspace_sptr dataWS =
WorkspaceFactory::Instance().create("Workspace2D", 1, nBins, nBins);
createLogs(workspaceElem, dataWS);
std::string title = main_out->getTitle();
title += ":trans";
title += sasTrasElem->getAttribute("name");
dataWS->setTitle(title);
dataWS->isDistribution(true);
dataWS->setYUnit("");
// load workspace data
MantidVec &X = dataWS->dataX(0);
MantidVec &Y = dataWS->dataY(0);
MantidVec &E = dataWS->dataE(0);
int vecindex = 0;
// iterate through each Tdata element and get the values of "Lambda",
//"T" and "Tdev" text nodes and fill X,Y,E vectors
for (unsigned long index = 0; index < nBins; ++index) {
Node *idataElem = tdataElemList->item(index);
Element *elem = dynamic_cast<Element *>(idataElem);
if (elem) {
// setting X vector
std::string nodeVal;
Element *qElem = elem->getChildElement("Lambda");
check(qElem, "Lambda");
nodeVal = qElem->innerText();
std::stringstream x(nodeVal);
double d;
x >> d;
X[vecindex] = d;
// setting Y vector
Element *iElem = elem->getChildElement("T");
check(qElem, "T");
nodeVal = iElem->innerText();
std::stringstream y(nodeVal);
y >> d;
Y[vecindex] = d;
// setting the error vector
Element *idevElem = elem->getChildElement("Tdev");
check(qElem, "Tdev");
nodeVal = idevElem->innerText();
std::stringstream e(nodeVal);
e >> d;
E[vecindex] = d;
++vecindex;
}
}
runLoadInstrument(main_out->getInstrument()->getName(), dataWS);
dataWS->getAxis(0)->setUnit("Wavelength");
// add to group
group.push_back(dataWS);
}
return main_out;
}
/** Execute the algorithm.
*/
void ResampleX::exec() {
// generically having access to the input workspace is a good idea
MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
bool inPlace = (inputWS == outputWS); // Rebinning in-place
m_isDistribution = inputWS->isDistribution();
m_isHistogram = inputWS->isHistogramData();
int numSpectra = static_cast<int>(inputWS->getNumberHistograms());
// the easy parameters
m_useLogBinning = getProperty("LogBinning");
m_numBins = getProperty("NumberBins");
m_preserveEvents = getProperty("PreserveEvents");
// determine the xmin/xmax for the workspace
vector<double> xmins = getProperty("XMin");
vector<double> xmaxs = getProperty("XMax");
string error = determineXMinMax(inputWS, xmins, xmaxs);
if (!error.empty())
throw std::runtime_error(error);
bool common_limits = true;
{
double xmin_common = xmins[0];
double xmax_common = xmaxs[0];
for (size_t i = 1; i < xmins.size(); ++i) {
if (xmins[i] != xmin_common) {
common_limits = false;
break;
}
if (xmaxs[i] != xmax_common) {
common_limits = false;
break;
}
}
}
if (common_limits) {
g_log.debug() << "Common limits between all spectra\n";
} else {
g_log.debug() << "Does not have common limits between all spectra\n";
}
// start doing actual work
EventWorkspace_const_sptr inputEventWS =
boost::dynamic_pointer_cast<const EventWorkspace>(inputWS);
if (inputEventWS != NULL) {
if (m_preserveEvents) {
EventWorkspace_sptr outputEventWS =
boost::dynamic_pointer_cast<EventWorkspace>(outputWS);
if (inPlace) {
g_log.debug() << "Rebinning event workspace in place\n";
} else {
g_log.debug() << "Rebinning event workspace out of place\n";
// copy the event workspace to a new EventWorkspace
outputEventWS = boost::dynamic_pointer_cast<EventWorkspace>(
API::WorkspaceFactory::Instance().create(
"EventWorkspace", inputWS->getNumberHistograms(), 2, 1));
// copy geometry over.
API::WorkspaceFactory::Instance().initializeFromParent(
inputEventWS, outputEventWS, false);
// copy over the data as well.
outputEventWS->copyDataFrom((*inputEventWS));
}
if (common_limits) {
// get the delta from the first since they are all the same
MantidVecPtr xValues;
double delta =
this->determineBinning(xValues.access(), xmins[0], xmaxs[0]);
g_log.debug() << "delta = " << delta << "\n";
outputEventWS->setAllX(xValues);
} else {
// initialize progress reporting.
Progress prog(this, 0.0, 1.0, numSpectra);
// do the rebinning
PARALLEL_FOR2(inputEventWS, outputWS)
for (int wkspIndex = 0; wkspIndex < numSpectra; ++wkspIndex) {
PARALLEL_START_INTERUPT_REGION
MantidVec xValues;
double delta = this->determineBinning(xValues, xmins[wkspIndex],
xmaxs[wkspIndex]);
g_log.debug() << "delta[wkspindex=" << wkspIndex << "] = " << delta
<< " xmin=" << xmins[wkspIndex]
<< " xmax=" << xmaxs[wkspIndex] << "\n";
outputEventWS->getSpectrum(wkspIndex)->setX(xValues);
prog.report(name()); // Report progress
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
}
this->setProperty(
"OutputWorkspace",
boost::dynamic_pointer_cast<MatrixWorkspace>(outputEventWS));
} // end if (m_preserveEvents)
else // event workspace -> matrix workspace
{
//--------- Different output, OR you're inplace but not preserving Events
//--- create a Workspace2D -------
g_log.information() << "Creating a Workspace2D from the EventWorkspace "
<< inputEventWS->getName() << ".\n";
// Create a Workspace2D
// This creates a new Workspace2D through a torturous route using the
// WorkspaceFactory.
// The Workspace2D is created with an EMPTY CONSTRUCTOR
outputWS = WorkspaceFactory::Instance().create("Workspace2D", numSpectra,
m_numBins, m_numBins - 1);
WorkspaceFactory::Instance().initializeFromParent(inputWS, outputWS,
true);
// Initialize progress reporting.
Progress prog(this, 0.0, 1.0, numSpectra);
// Go through all the histograms and set the data
PARALLEL_FOR2(inputEventWS, outputWS)
for (int wkspIndex = 0; wkspIndex < numSpectra; ++wkspIndex) {
PARALLEL_START_INTERUPT_REGION
// Set the X axis for each output histogram
MantidVec xValues;
double delta =
this->determineBinning(xValues, xmins[wkspIndex], xmaxs[wkspIndex]);
g_log.debug() << "delta[wkspindex=" << wkspIndex << "] = " << delta
<< "\n";
outputWS->setX(wkspIndex, xValues);
// Get a const event list reference. inputEventWS->dataY() doesn't work.
const EventList &el = inputEventWS->getEventList(wkspIndex);
MantidVec y_data, e_data;
// The EventList takes care of histogramming.
el.generateHistogram(xValues, y_data, e_data);
// Copy the data over.
outputWS->dataY(wkspIndex).assign(y_data.begin(), y_data.end());
outputWS->dataE(wkspIndex).assign(e_data.begin(), e_data.end());
// Report progress
prog.report(name());
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
// Copy all the axes
for (int i = 1; i < inputWS->axes(); i++) {
outputWS->replaceAxis(i, inputWS->getAxis(i)->clone(outputWS.get()));
outputWS->getAxis(i)->unit() = inputWS->getAxis(i)->unit();
}
// Copy the units over too.
for (int i = 0; i < outputWS->axes(); ++i)
outputWS->getAxis(i)->unit() = inputWS->getAxis(i)->unit();
outputWS->setYUnit(inputEventWS->YUnit());
outputWS->setYUnitLabel(inputEventWS->YUnitLabel());
// Assign it to the output workspace property
setProperty("OutputWorkspace", outputWS);
}
return;
} else // (inputeventWS != NULL)
/**
* Read histogram data
* @param histogramEntries map of the file entries that have histogram
* @param outputGroup pointer to the workspace group
* @param nxFile Reads data from inside first first top entry
*/
void LoadMcStas::readHistogramData(
const std::map<std::string, std::string> &histogramEntries,
WorkspaceGroup_sptr &outputGroup, ::NeXus::File &nxFile) {
std::string nameAttrValueYLABEL;
for (const auto &histogramEntry : histogramEntries) {
const std::string &dataName = histogramEntry.first;
const std::string &dataType = histogramEntry.second;
// open second level entry
nxFile.openGroup(dataName, dataType);
// grap title to use to e.g. create workspace name
std::string nameAttrValueTITLE;
nxFile.getAttr("filename", nameAttrValueTITLE);
if (nxFile.hasAttr("ylabel")) {
nxFile.getAttr("ylabel", nameAttrValueYLABEL);
}
// Find the axis names
auto nxdataEntries = nxFile.getEntries();
std::string axis1Name, axis2Name;
for (auto &nxdataEntry : nxdataEntries) {
if (nxdataEntry.second == "NXparameters")
continue;
if (nxdataEntry.first == "ncount")
continue;
nxFile.openData(nxdataEntry.first);
if (nxFile.hasAttr("axis")) {
int axisNo(0);
nxFile.getAttr("axis", axisNo);
if (axisNo == 1)
axis1Name = nxdataEntry.first;
else if (axisNo == 2)
axis2Name = nxdataEntry.first;
else
throw std::invalid_argument("Unknown axis number");
}
nxFile.closeData();
}
std::vector<double> axis1Values, axis2Values;
nxFile.readData<double>(axis1Name, axis1Values);
if (axis2Name.length() == 0) {
axis2Name = nameAttrValueYLABEL;
axis2Values.push_back(0.0);
} else {
nxFile.readData<double>(axis2Name, axis2Values);
}
const size_t axis1Length = axis1Values.size();
const size_t axis2Length = axis2Values.size();
g_log.debug() << "Axis lengths=" << axis1Length << " " << axis2Length
<< '\n';
// Require "data" field
std::vector<double> data;
nxFile.readData<double>("data", data);
// Optional errors field
std::vector<double> errors;
try {
nxFile.readData<double>("errors", errors);
} catch (::NeXus::Exception &) {
g_log.information() << "Field " << dataName
<< " contains no error information.\n";
}
// close second level entry
nxFile.closeGroup();
MatrixWorkspace_sptr ws = WorkspaceFactory::Instance().create(
"Workspace2D", axis2Length, axis1Length, axis1Length);
Axis *axis1 = ws->getAxis(0);
axis1->title() = axis1Name;
// Set caption
auto lblUnit = boost::make_shared<Units::Label>();
lblUnit->setLabel(axis1Name, "");
axis1->unit() = lblUnit;
Axis *axis2 = new NumericAxis(axis2Length);
axis2->title() = axis2Name;
// Set caption
lblUnit = boost::make_shared<Units::Label>();
lblUnit->setLabel(axis2Name, "");
axis2->unit() = lblUnit;
ws->setYUnit(axis2Name);
ws->replaceAxis(1, axis2);
for (size_t wsIndex = 0; wsIndex < axis2Length; ++wsIndex) {
auto &dataY = ws->dataY(wsIndex);
auto &dataE = ws->dataE(wsIndex);
auto &dataX = ws->dataX(wsIndex);
for (size_t j = 0; j < axis1Length; ++j) {
// Data is stored in column-major order so we are translating to
// row major for Mantid
const size_t fileDataIndex = j * axis2Length + wsIndex;
dataY[j] = data[fileDataIndex];
dataX[j] = axis1Values[j];
if (!errors.empty())
dataE[j] = errors[fileDataIndex];
}
axis2->setValue(wsIndex, axis2Values[wsIndex]);
}
// set the workspace title
ws->setTitle(nameAttrValueTITLE);
// use the workspace title to create the workspace name
std::replace(nameAttrValueTITLE.begin(), nameAttrValueTITLE.end(), ' ',
'_');
// ensure that specified name is given to workspace (eventWS) when added to
// outputGroup
std::string nameOfGroupWS = getProperty("OutputWorkspace");
std::string nameUserSee = nameAttrValueTITLE + "_" + nameOfGroupWS;
std::string extraProperty =
"Outputworkspace_dummy_" + std::to_string(m_countNumWorkspaceAdded);
declareProperty(Kernel::make_unique<WorkspaceProperty<Workspace>>(
extraProperty, nameUserSee, Direction::Output));
setProperty(extraProperty, boost::static_pointer_cast<Workspace>(ws));
m_countNumWorkspaceAdded++; // need to increment to ensure extraProperty are
// unique
// Make Mantid store the workspace in the group
outputGroup->addWorkspace(ws);
}
nxFile.closeGroup();
} // finish
