void MantidMatrix::setup(Mantid::API::MatrixWorkspace_const_sptr ws, int start,
int end) {
if (!ws) {
QMessageBox::critical(0, "WorkspaceMatrixModel error",
"2D workspace expected.");
m_rows = 0;
m_cols = 0;
m_startRow = 0;
m_endRow = 0;
return;
}
m_workspace = ws;
m_workspaceTotalHist = static_cast<int>(ws->getNumberHistograms());
m_startRow = (start < 0 || start >= m_workspaceTotalHist) ? 0 : start;
m_endRow = (end < 0 || end >= m_workspaceTotalHist || end < start)
? m_workspaceTotalHist - 1
: end;
m_rows = m_endRow - m_startRow + 1;
m_cols = static_cast<int>(ws->blocksize());
if (ws->isHistogramData())
m_histogram = true;
connect(this, SIGNAL(needsUpdating()), this, SLOT(repaintAll()));
m_bk_color = QColor(128, 255, 255);
m_matrix_icon = getQPixmap("mantid_matrix_xpm");
m_column_width = 100;
}
void MantidWSIndexDialog::checkForSpectraAxes()
{
// Check to see if *all* workspaces have a spectrum axis.
// If even one does not have a spectra axis, then we wont
// ask the user to enter spectra IDs - only workspace indices.
QList<QString>::const_iterator it = m_wsNames.constBegin();
m_spectra = true;
for ( ; it != m_wsNames.constEnd(); ++it )
{
Mantid::API::MatrixWorkspace_const_sptr ws = boost::dynamic_pointer_cast<const Mantid::API::MatrixWorkspace>(Mantid::API::AnalysisDataService::Instance().retrieve((*it).toStdString()));
if ( NULL == ws ) continue;
bool hasSpectra = false;
for(int i = 0; i < ws->axes(); i++)
{
if(ws->getAxis(i)->isSpectra())
hasSpectra = true;
}
if(hasSpectra == false)
{
m_spectra = false;
break;
}
}
}
/**
* Creates and returns a "mini plot", from the given QwtPlot and QwtPlotCurve objects, as well as the given workspace
* and workspace index.
*
* @param plot :: the QwtPlot object
* @param curve :: the QwtPlotCurve object
* @param workspace :: the workspace to use
* @param wsIndex :: the workspace index
*
* @returns the resulting QwtPlotCurve object
*/
QwtPlotCurve* IDATab::plotMiniplot(QwtPlot* plot, QwtPlotCurve* curve, const std::string & workspace, size_t wsIndex)
{
if ( curve != NULL )
{
curve->attach(0);
delete curve;
curve = 0;
}
Mantid::API::MatrixWorkspace_const_sptr ws = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(Mantid::API::AnalysisDataService::Instance().retrieve(workspace));
size_t nhist = ws->getNumberHistograms();
if ( wsIndex >= nhist )
{
showInformationBox("Error: Workspace index out of range.");
return NULL;
}
using Mantid::MantidVec;
const MantidVec & dataX = ws->readX(wsIndex);
const MantidVec & dataY = ws->readY(wsIndex);
curve = new QwtPlotCurve();
curve->setData(&dataX[0], &dataY[0], static_cast<int>(ws->blocksize()));
curve->attach(plot);
plot->replot();
return curve;
}
void MantidWSIndexDialog::generateWsIndexIntervals()
{
// Get the available interval for each of the workspaces, and then
// present the user with interval which is the INTERSECTION of each of
// those intervals.
QList<QString>::const_iterator it = m_wsNames.constBegin();
// Cycle through the workspaces ...
for ( ; it != m_wsNames.constEnd(); ++it )
{
Mantid::API::MatrixWorkspace_const_sptr ws = boost::dynamic_pointer_cast<const Mantid::API::MatrixWorkspace>(Mantid::API::AnalysisDataService::Instance().retrieve((*it).toStdString()));
if ( NULL == ws ) continue;
const int endWs = static_cast<int>(ws->getNumberHistograms() - 1);//= static_cast<int> (end->first);
Interval interval(0,endWs);
// If no interval has been added yet, just add it ...
if(it == m_wsNames.constBegin())
m_wsIndexIntervals.addInterval(interval);
// ... else set the list as the intersection of what's already there
// and what has just been added.
else
m_wsIndexIntervals.setIntervalList(IntervalList::intersect(m_wsIndexIntervals,interval));
}
}
/**
* Convert to the output dimensions
* @param inputWs : Input Matrix workspace
* @return workspace group containing output matrix workspaces of ki and kf
*/
Mantid::API::MatrixWorkspace_sptr ReflectometryTransform::execute(
Mantid::API::MatrixWorkspace_const_sptr inputWs) const {
auto ws = boost::make_shared<Mantid::DataObjects::Workspace2D>();
ws->initialize(m_d1NumBins, m_d0NumBins,
m_d0NumBins); // Create the output workspace as a distribution
// Mapping so that d0 and d1 values calculated can be added to the matrix
// workspace at the correct index.
const double gradD0 =
double(m_d0NumBins) / (m_d0Max - m_d0Min); // The x - axis
const double gradD1 =
double(m_d1NumBins) / (m_d1Max - m_d1Min); // Actually the y-axis
const double cxToIndex = -gradD0 * m_d0Min;
const double cyToIndex = -gradD1 * m_d1Min;
const double cxToD0 = m_d0Min - (1 / gradD0);
const double cyToD1 = m_d1Min - (1 / gradD1);
// Create an X - Axis.
MantidVec xAxisVec = createXAxis(ws.get(), gradD0, cxToD0, m_d0NumBins,
m_d0Label, "1/Angstroms");
// Create a Y (vertical) Axis
createVerticalAxis(ws.get(), xAxisVec, gradD1, cyToD1, m_d1NumBins, m_d1Label,
"1/Angstroms");
// Loop over all entries in the input workspace and calculate d0 and d1
// for each.
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_calculator->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 _d0 = m_calculator->calculateDim0(wavelength);
double _d1 = m_calculator->calculateDim1(wavelength);
if (_d0 >= m_d0Min && _d0 <= m_d0Max && _d1 >= m_d1Min &&
_d1 <= m_d1Max) // Check that the calculated ki and kf are in range
{
const int outIndexX = static_cast<int>((gradD0 * _d0) + cxToIndex);
const int outIndexZ = static_cast<int>((gradD1 * _d1) + cyToIndex);
ws->dataY(outIndexZ)[outIndexX] += counts[binIndex];
ws->dataE(outIndexZ)[outIndexX] += errors[binIndex];
}
}
}
return ws;
}
/** function retrieves copy of the oriented lattice from the workspace */
boost::shared_ptr<Geometry::OrientedLattice>
MDWSDescription::getOrientedLattice(
Mantid::API::MatrixWorkspace_const_sptr inWS2D) {
// try to get the WS oriented lattice
boost::shared_ptr<Geometry::OrientedLattice> orl;
if (inWS2D->sample().hasOrientedLattice())
orl = boost::shared_ptr<Geometry::OrientedLattice>(
new Geometry::OrientedLattice(inWS2D->sample().getOrientedLattice()));
return orl;
}
void MantidWSIndexDialog::generateSpectraIdIntervals()
{
// Get the list of available intervals for each of the workspaces, and then
// present the user with intervals which are the INTERSECTION of each of
// those lists of intervals.
QList<QString>::const_iterator it = m_wsNames.constBegin();
// Cycle through the workspaces ...
for ( ; it != m_wsNames.constEnd(); ++it )
{
Mantid::API::MatrixWorkspace_const_sptr ws = boost::dynamic_pointer_cast<const Mantid::API::MatrixWorkspace>(Mantid::API::AnalysisDataService::Instance().retrieve((*it).toStdString()));
if ( NULL == ws ) continue;
Mantid::spec2index_map * spec2index = ws->getSpectrumToWorkspaceIndexMap();
Mantid::spec2index_map::const_iterator last = spec2index->end();
--last;
Mantid::spec2index_map::const_iterator first = spec2index->begin();
const int startSpectrum = static_cast<int> (first->first);
const int endSpectrum = static_cast<int> (last->first);
const int size = static_cast<int> (spec2index->size());
if(size == (1 + endSpectrum - startSpectrum))
{
// Here we make the assumption (?) that the spectra IDs are sorted, and so
// are a list of ints from startSpectrum to endSpectrum without any gaps.
Interval interval(startSpectrum, endSpectrum);
if(it == m_wsNames.constBegin())
m_spectraIdIntervals.addInterval(interval);
else
m_spectraIdIntervals.setIntervalList(IntervalList::intersect(m_spectraIdIntervals,interval));
}
else
{
// The spectra IDs do not appear to be an uninterrupted list of numbers,
// and so we must go through each one and construct the intervals that way.
// TODO - is this at all feasible for large workspaces, and/or many workspaces?
++last;
for ( ; first != last; ++first)
{
const int spectraId = static_cast<int> (first->first);
Interval interval(spectraId);
if(it == m_wsNames.constBegin())
m_spectraIdIntervals.addInterval(interval);
else
m_spectraIdIntervals.setIntervalList(IntervalList::intersect(m_spectraIdIntervals,interval));
}
}
}
}
void StepScan::fillNormalizationCombobox( const Mantid::API::MatrixWorkspace_const_sptr & ws )
{
// If there are more than 3 entries in the combobox (nothing, time, proton_charge) then
// remove any stale ones
while ( m_uiForm.normalization->count() > 3 )
{
m_uiForm.normalization->removeItem(m_uiForm.normalization->count()-1);
}
for ( std::size_t i = 0; i < ws->getNumberHistograms(); ++i )
{
const std::string monitorName = ws->getDetector(i)->getName();
m_uiForm.normalization->addItem( QString::fromStdString( monitorName ) );
}
}
/**
* Sum counts in detectors for purposes of rough plotting against the units on the x-axis.
* Assumes that all spectra share the x vector.
*
* @param dets :: A list of detector IDs to sum.
* @param x :: (output) Time of flight values (or whatever values the x axis has) to plot against.
* @param y :: (output) The sums of the counts for each bin.
*/
void InstrumentActor::sumDetectorsUniform(QList<int>& dets, std::vector<double>&x, std::vector<double>&y) const
{
size_t wi;
bool isDataEmpty = dets.isEmpty();
if ( !isDataEmpty )
{
try {
wi = getWorkspaceIndex( dets[0] );
} catch (Mantid::Kernel::Exception::NotFoundError &) {
isDataEmpty = true; // Detector doesn't have a workspace index relating to it
}
}
if ( isDataEmpty )
{
x.clear();
y.clear();
return;
}
// find the bins inside the integration range
size_t imin,imax;
getBinMinMaxIndex(wi,imin,imax);
Mantid::API::MatrixWorkspace_const_sptr ws = getWorkspace();
const Mantid::MantidVec& X = ws->readX(wi);
x.assign(X.begin() + imin, X.begin() + imax);
if ( ws->isHistogramData() )
{
// calculate the bin centres
std::transform(x.begin(),x.end(),X.begin() + imin + 1,x.begin(),std::plus<double>());
std::transform(x.begin(),x.end(),x.begin(),std::bind2nd(std::divides<double>(),2.0));
}
y.resize(x.size(),0);
// sum the spectra
foreach(int id, dets)
{
try {
size_t index = getWorkspaceIndex( id );
const Mantid::MantidVec& Y = ws->readY(index);
std::transform(y.begin(),y.end(),Y.begin() + imin,y.begin(),std::plus<double>());
} catch (Mantid::Kernel::Exception::NotFoundError &) {
continue; // Detector doesn't have a workspace index relating to it
}
}
}
DataObjects::TableWorkspace_sptr ConvertToMDParent::runPreprocessDetectorsToMDChildUpdatingMasks(Mantid::API::MatrixWorkspace_const_sptr InWS2D,
const std::string &OutWSName,const std::string &dEModeRequested,Kernel::DeltaEMode::Type &Emode)
{
// prospective result
DataObjects::TableWorkspace_sptr TargTableWS;
// if input workspace does not exist in analysis data service, we have to add it there to work with the Child Algorithm
std::string InWSName = InWS2D->getName();
if(!API::AnalysisDataService::Instance().doesExist(InWSName))
{
throw std::runtime_error("Can not retrieve input matrix workspace "+InWSName+" from the analysis data service");
}
Mantid::API::Algorithm_sptr childAlg = createChildAlgorithm("PreprocessDetectorsToMD",0.,1.);
if(!childAlg)throw(std::runtime_error("Can not create child ChildAlgorithm to preprocess detectors"));
childAlg->setProperty("InputWorkspace",InWSName);
childAlg->setProperty("OutputWorkspace",OutWSName);
childAlg->setProperty("GetMaskState",true);
childAlg->setProperty("UpdateMasksInfo",true);
childAlg->setProperty("OutputWorkspace",OutWSName);
// check and get energy conversion mode to define additional ChildAlgorithm parameters
Emode = Kernel::DeltaEMode().fromString(dEModeRequested);
if(Emode == Kernel::DeltaEMode::Indirect)
childAlg->setProperty("GetEFixed",true);
childAlg->execute();
if(!childAlg->isExecuted())throw(std::runtime_error("Can not properly execute child algorithm PreprocessDetectorsToMD"));
TargTableWS = childAlg->getProperty("OutputWorkspace");
if(!TargTableWS)throw(std::runtime_error("Can not retrieve results of child algorithm PreprocessDetectorsToMD"));
return TargTableWS;
}
/** function extracts the coordinates from additional workspace properties and
*places them to proper position within
* the vector of MD coordinates for the particular workspace.
*
* @param inWS2D -- input workspace
* @param dimPropertyNames -- names of properties which should be treated as
*dimensions
* @param AddCoord --
*
* @return AddCoord -- vector of additional coordinates (derived from WS
*properties) for current multidimensional event
*/
void MDWSDescription::fillAddProperties(
Mantid::API::MatrixWorkspace_const_sptr inWS2D,
const std::vector<std::string> &dimPropertyNames,
std::vector<coord_t> &AddCoord) {
size_t nDimPropNames = dimPropertyNames.size();
if (AddCoord.size() != nDimPropNames)
AddCoord.resize(nDimPropNames);
for (size_t i = 0; i < nDimPropNames; i++) {
// HACK: A METHOD, Which converts TSP into value, correspondent to time
// scale of matrix workspace has to be developed and deployed!
Kernel::Property *pProperty =
(inWS2D->run().getProperty(dimPropertyNames[i]));
Kernel::TimeSeriesProperty<double> *run_property =
dynamic_cast<Kernel::TimeSeriesProperty<double> *>(pProperty);
if (run_property) {
AddCoord[i] = coord_t(run_property->firstValue());
} else {
// e.g Ei can be a property and dimension
Kernel::PropertyWithValue<double> *proc_property =
dynamic_cast<Kernel::PropertyWithValue<double> *>(pProperty);
if (!proc_property) {
std::string ERR =
" Can not interpret property, used as dimension.\n Property: " +
dimPropertyNames[i] + " is neither a time series (run) property "
"nor a property with value<double>";
throw(std::invalid_argument(ERR));
}
AddCoord[i] = coord_t(*(proc_property));
}
}
}
/// function checks if source workspace still has information about detectors. Some ws (like rebinned one) do not have this information any more.
bool PreprocessDetectorsToMD::isDetInfoLost(Mantid::API::MatrixWorkspace_const_sptr inWS2D)const
{
auto pYAxis = dynamic_cast<API::NumericAxis *>(inWS2D->getAxis(1));
// if this is numeric axis, then the detector's information has been lost:
if(pYAxis) return true;
return false;
}
/**
* Find all of the spectra in the workspace that have width data
*
* @param ws :: The workspace to search
*/
void JumpFit::findAllWidths(Mantid::API::MatrixWorkspace_const_sptr ws)
{
m_uiForm.cbWidth->clear();
m_spectraList.clear();
for (size_t i = 0; i < ws->getNumberHistograms(); ++i)
{
auto axis = dynamic_cast<Mantid::API::TextAxis*>(ws->getAxis(1));
if(!axis)
return;
std::string title = axis->label(i);
//check if the axis labels indicate this spectrum is width data
size_t qLinesWidthIndex = title.find(".Width");
size_t convFitWidthIndex = title.find(".FWHM");
bool qLinesWidth = qLinesWidthIndex != std::string::npos;
bool convFitWidth = convFitWidthIndex != std::string::npos;
//if we get a match, add this spectrum to the combobox
if(convFitWidth || qLinesWidth)
{
std::string cbItemName = "";
size_t substrIndex = 0;
if (qLinesWidth)
{
substrIndex = qLinesWidthIndex;
}
else if (convFitWidth)
{
substrIndex = convFitWidthIndex;
}
cbItemName = title.substr(0, substrIndex);
m_spectraList[cbItemName] = static_cast<int>(i);
m_uiForm.cbWidth->addItem(QString(cbItemName.c_str()));
//display widths f1.f1, f2.f1 and f2.f2
if (m_uiForm.cbWidth->count() == 3)
{
return;
}
}
}
}
void InstrumentWindowPickTab::getBinMinMaxIndex(size_t wi,size_t& imin, size_t& imax)
{
InstrumentActor* instrActor = m_instrWindow->getInstrumentActor();
Mantid::API::MatrixWorkspace_const_sptr ws = instrActor->getWorkspace();
const Mantid::MantidVec& x = ws->readX(wi);
if (instrActor->wholeRange())
{
imin = 0;
imax = x.size() - 1;
}
else
{
Mantid::MantidVec::const_iterator x_begin = std::lower_bound(x.begin(),x.end(),instrActor->minBinValue());
Mantid::MantidVec::const_iterator x_end = std::lower_bound(x.begin(),x.end(),instrActor->maxBinValue());
imin = static_cast<size_t>(x_begin - x.begin());
imax = static_cast<size_t>(x_end - x.begin()) - 1;
}
}
/**
* Sum counts in detectors for purposes of rough plotting against the units on the x-axis.
* Checks (approximately) if the workspace is ragged or not and uses the appropriate summation
* method.
*
* @param dets :: A list of detector IDs to sum.
* @param x :: (output) Time of flight values (or whatever values the x axis has) to plot against.
* @param y :: (output) The sums of the counts for each bin.
* @param size :: (optional input) Size of the output vectors. If not given it will be determined automatically.
*/
void InstrumentActor::sumDetectors(QList<int> &dets, std::vector<double> &x, std::vector<double> &y, size_t size) const
{
Mantid::API::MatrixWorkspace_const_sptr ws = getWorkspace();
if ( size > ws->blocksize() || size == 0 )
{
size = ws->blocksize();
}
if ( m_ragged )
{
// could be slower than uniform
sumDetectorsRagged( dets, x, y, size );
}
else
{
// should be faster than ragged
sumDetectorsUniform( dets, x, y );
}
}
std::tuple<double, double, double> EnggDiffFittingModel::getDifcDifaTzero(
Mantid::API::MatrixWorkspace_const_sptr ws) {
const auto run = ws->run();
const auto difc = run.getPropertyValueAsType<double>("difc");
const auto difa = run.getPropertyValueAsType<double>("difa");
const auto tzero = run.getPropertyValueAsType<double>("tzero");
return std::tuple<double, double, double>(difc, difa, tzero);
}
QMultiMap<QString,std::set<int> > MantidWSIndexDialog::getPlots() const
{
// Map of workspace names to set of indices to be plotted.
QMultiMap<QString,std::set<int> > plots;
// If the user typed in the wsField ...
if(m_wsIndexChoice.getList().size() > 0)
{
for(int i = 0; i < m_wsNames.size(); i++)
{
std::set<int> intSet = m_wsIndexChoice.getIntSet();
plots.insert(m_wsNames[i],intSet);
}
}
// Else if the user typed in the spectraField ...
else if(m_spectraIdChoice.getList().size() > 0)
{
for(int i = 0; i < m_wsNames.size(); i++)
{
// Convert the spectra choices of the user into workspace indices for us to use.
Mantid::API::MatrixWorkspace_const_sptr ws = boost::dynamic_pointer_cast<const Mantid::API::MatrixWorkspace>(Mantid::API::AnalysisDataService::Instance().retrieve(m_wsNames[i].toStdString()));
if ( NULL == ws ) continue;
Mantid::spec2index_map *spec2index = ws->getSpectrumToWorkspaceIndexMap();
std::set<int> origSet = m_spectraIdChoice.getIntSet();
std::set<int>::iterator it = origSet.begin();
std::set<int> convertedSet;
for( ; it != origSet.end(); ++it)
{
int origInt = (*it);
int convertedInt = static_cast<int>(spec2index->find(origInt)->second);
convertedSet.insert(convertedInt);
}
plots.insert(m_wsNames[i],convertedSet);
}
}
return plots;
}
/**
* Plot data for a detector.
* @param detid :: ID of the detector to be plotted.
*/
void InstrumentWindowPickTab::plotSingle(int detid)
{
m_plot->clearLabels();
InstrumentActor* instrActor = m_instrWindow->getInstrumentActor();
Mantid::API::MatrixWorkspace_const_sptr ws = instrActor->getWorkspace();
size_t wi;
try {
wi = instrActor->getWorkspaceIndex(detid);
} catch (Mantid::Kernel::Exception::NotFoundError) {
return; // Detector doesn't have a workspace index relating to it
}
// get the data
const Mantid::MantidVec& x = ws->readX(wi);
const Mantid::MantidVec& y = ws->readY(wi);
// find min and max for x
size_t imin,imax;
getBinMinMaxIndex(wi,imin,imax);
Mantid::MantidVec::const_iterator y_begin = y.begin() + imin;
Mantid::MantidVec::const_iterator y_end = y.begin() + imax;
m_plot->setXScale(x[imin],x[imax]);
// fins min and max for y
Mantid::MantidVec::const_iterator min_it = std::min_element(y_begin,y_end);
Mantid::MantidVec::const_iterator max_it = std::max_element(y_begin,y_end);
// set the data
m_plot->setData(&x[0],&y[0],static_cast<int>(y.size()));
m_plot->setYScale(*min_it,*max_it);
// find any markers
ProjectionSurface* surface = mInstrumentDisplay->getSurface();
if (surface)
{
QList<PeakMarker2D*> markers = surface->getMarkersWithID(detid);
foreach(PeakMarker2D* marker,markers)
{
m_plot->addLabel(new PeakLabel(marker));
//std::cerr << marker->getLabel().toStdString() << std::endl;
}
}
/**
* Find the offsets in the spectrum's x vector of the bounds of integration.
* @param wi :: The works[ace index of the spectrum.
* @param imin :: Index of the lower bound: x_min == readX(wi)[imin]
* @param imax :: Index of the upper bound: x_max == readX(wi)[imax]
*/
void InstrumentActor::getBinMinMaxIndex( size_t wi, size_t& imin, size_t& imax ) const
{
Mantid::API::MatrixWorkspace_const_sptr ws = getWorkspace();
const Mantid::MantidVec& x = ws->readX(wi);
Mantid::MantidVec::const_iterator x_begin = x.begin();
Mantid::MantidVec::const_iterator x_end = x.end();
if (x_begin == x_end)
{
throw std::runtime_error("No bins found to plot");
}
if (ws->isHistogramData())
{
--x_end;
}
if ( wholeRange() )
{
imin = 0;
imax = static_cast<size_t>(x_end - x_begin);
}
else
{
Mantid::MantidVec::const_iterator x_from = std::lower_bound( x_begin, x_end, minBinValue() );
Mantid::MantidVec::const_iterator x_to = std::upper_bound( x_begin, x_end, maxBinValue() );
imin = static_cast<size_t>(x_from - x_begin);
imax = static_cast<size_t>(x_to - x_begin);
if (imax <= imin)
{
if (x_from == x_end)
{
--x_from;
x_to = x_end;
}
else
{
x_to = x_from + 1;
}
imin = static_cast<size_t>(x_from - x_begin);
imax = static_cast<size_t>(x_to - x_begin);
}
}
}
/**
* Performs centre-point rebinning and produces an MDWorkspace
* @param inputWs : The workspace you wish to perform centre-point rebinning on.
* @param boxController : controls how the MDWorkspace will be split
* @param frame: the md frame for the two MDHistoDimensions
* @returns An MDWorkspace based on centre-point rebinning of the inputWS
*/
Mantid::API::IMDEventWorkspace_sptr ReflectometryTransform::executeMD(
Mantid::API::MatrixWorkspace_const_sptr inputWs,
BoxController_sptr boxController,
Mantid::Geometry::MDFrame_uptr frame) const {
auto dim0 = boost::make_shared<MDHistoDimension>(
m_d0Label, m_d0ID, *frame, static_cast<Mantid::coord_t>(m_d0Min),
static_cast<Mantid::coord_t>(m_d0Max), m_d0NumBins);
auto dim1 = boost::make_shared<MDHistoDimension>(
m_d1Label, m_d1ID, *frame, static_cast<Mantid::coord_t>(m_d1Min),
static_cast<Mantid::coord_t>(m_d1Max), m_d1NumBins);
auto ws = createMDWorkspace(dim0, dim1, boxController);
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_calculator->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 _d0 = m_calculator->calculateDim0(wavelength);
double _d1 = m_calculator->calculateDim1(wavelength);
double centers[2] = {_d0, _d1};
ws->addEvent(MDLeanEvent<2>(float(counts[binIndex]),
float(errors[binIndex] * errors[binIndex]),
centers));
}
}
ws->splitAllIfNeeded(nullptr);
ws->refreshCache();
return ws;
}
void Elwin::setDefaultSampleLog(Mantid::API::MatrixWorkspace_const_sptr ws) {
auto inst = ws->getInstrument();
// Set sample environment log name
auto log = inst->getStringParameter("Workflow.SE-log");
QString logName("sample");
if (log.size() > 0) {
logName = QString::fromStdString(log[0]);
}
m_uiForm.leLogName->setText(logName);
// Set sample environment log value
auto logval = inst->getStringParameter("Workflow.SE-log-value");
if (logval.size() > 0) {
auto logValue = QString::fromStdString(logval[0]);
int index = m_uiForm.leLogValue->findText(logValue);
if (index >= 0) {
m_uiForm.leLogValue->setCurrentIndex(index);
}
}
}
/**
* Checks the workspace's intrument for a resolution parameter to use as
* a default for the energy range on the mini plot
*
* @param ws :: Pointer to the workspace to use
* @param res :: The retrieved values for the resolution parameter (if one was
*found)
*/
bool IndirectTab::getResolutionRangeFromWs(
Mantid::API::MatrixWorkspace_const_sptr ws, QPair<double, double> &res) {
auto inst = ws->getInstrument();
auto analyser = inst->getStringParameter("analyser");
if (analyser.size() > 0) {
auto comp = inst->getComponentByName(analyser[0]);
if (comp) {
auto params = comp->getNumberParameter("resolution", true);
// set the default instrument resolution
if (params.size() > 0) {
res = qMakePair(-params[0], params[0]);
return true;
}
}
}
return false;
}
Mantid::API::ITableWorkspace_sptr
EnggDiffFittingModel::createCalibrationParamsTable(
Mantid::API::MatrixWorkspace_const_sptr inputWS) {
double difc, difa, tzero;
std::tie(difc, difa, tzero) = getDifcDifaTzero(inputWS);
auto calibrationParamsTable =
Mantid::API::WorkspaceFactory::Instance().createTable();
calibrationParamsTable->addColumn("int", "detid");
calibrationParamsTable->addColumn("double", "difc");
calibrationParamsTable->addColumn("double", "difa");
calibrationParamsTable->addColumn("double", "tzero");
Mantid::API::TableRow row = calibrationParamsTable->appendRow();
const auto &spectrum = inputWS->getSpectrum(0);
Mantid::detid_t detID = *(spectrum.getDetectorIDs().cbegin());
row << detID << difc << difa << tzero;
return calibrationParamsTable;
}
void Elwin::setDefaultResolution(Mantid::API::MatrixWorkspace_const_sptr ws)
{
auto inst = ws->getInstrument();
auto analyser = inst->getStringParameter("analyser");
if(analyser.size() > 0)
{
auto comp = inst->getComponentByName(analyser[0]);
auto params = comp->getNumberParameter("resolution", true);
//set the default instrument resolution
if(params.size() > 0)
{
double res = params[0];
m_dblManager->setValue(m_properties["IntegrationStart"], -res);
m_dblManager->setValue(m_properties["IntegrationEnd"], res);
m_dblManager->setValue(m_properties["BackgroundStart"], -10*res);
m_dblManager->setValue(m_properties["BackgroundEnd"], -9*res);
}
}
}
MantidMatrix::MantidMatrix(Mantid::API::MatrixWorkspace_const_sptr ws,
QWidget *parent, const QString &label,
const QString &name, int start, int end)
: MdiSubWindow(parent, label, name, 0), WorkspaceObserver(),
m_workspace(ws), y_start(0.0), y_end(0.0), m_histogram(false), m_min(0),
m_max(0), m_are_min_max_set(false), m_boundingRect(),
m_strName(name.toStdString()), m_selectedRows(), m_selectedCols() {
m_workspace = ws;
setup(ws, start, end);
setWindowTitle(name);
setName(name);
m_modelY = new MantidMatrixModel(this, ws.get(), m_rows, m_cols, m_startRow,
MantidMatrixModel::Y);
m_table_viewY = new QTableView();
connectTableView(m_table_viewY, m_modelY);
setColumnsWidth(0, MantidPreferences::MantidMatrixColumnWidthY());
setNumberFormat(0, MantidPreferences::MantidMatrixNumberFormatY(),
MantidPreferences::MantidMatrixNumberPrecisionY());
m_modelX = new MantidMatrixModel(this, ws.get(), m_rows, m_cols, m_startRow,
MantidMatrixModel::X);
m_table_viewX = new QTableView();
connectTableView(m_table_viewX, m_modelX);
setColumnsWidth(1, MantidPreferences::MantidMatrixColumnWidthX());
setNumberFormat(1, MantidPreferences::MantidMatrixNumberFormatX(),
MantidPreferences::MantidMatrixNumberPrecisionX());
m_modelE = new MantidMatrixModel(this, ws.get(), m_rows, m_cols, m_startRow,
MantidMatrixModel::E);
m_table_viewE = new QTableView();
connectTableView(m_table_viewE, m_modelE);
setColumnsWidth(2, MantidPreferences::MantidMatrixColumnWidthE());
setNumberFormat(2, MantidPreferences::MantidMatrixNumberFormatE(),
MantidPreferences::MantidMatrixNumberPrecisionE());
m_YTabLabel = QString("Y values");
m_XTabLabel = QString("X values");
m_ETabLabel = QString("Errors");
m_tabs = new QTabWidget(this);
m_tabs->insertTab(0, m_table_viewY, m_YTabLabel);
m_tabs->insertTab(1, m_table_viewX, m_XTabLabel);
m_tabs->insertTab(2, m_table_viewE, m_ETabLabel);
setWidget(m_tabs);
// for synchronizing the views
// index is zero for the defualt view
m_PrevIndex = 0;
// install event filter on these objects
m_table_viewY->installEventFilter(this);
m_table_viewX->installEventFilter(this);
m_table_viewE->installEventFilter(this);
connect(m_tabs, SIGNAL(currentChanged(int)), this, SLOT(viewChanged(int)));
setGeometry(50, 50,
qMin(5, numCols()) *
m_table_viewY->horizontalHeader()->sectionSize(0) +
55,
(qMin(10, numRows()) + 1) *
m_table_viewY->verticalHeader()->sectionSize(0) +
100);
// Add an extension for the DX component if required
if (ws->hasDx(0)) {
addMantidMatrixTabExtension(MantidMatrixModel::DX);
}
observeAfterReplace();
observePreDelete();
observeADSClear();
connect(this, SIGNAL(needWorkspaceChange(Mantid::API::MatrixWorkspace_sptr)),
this, SLOT(changeWorkspace(Mantid::API::MatrixWorkspace_sptr)));
connect(this, SIGNAL(needToClose()), this, SLOT(closeMatrix()));
connect(this, SIGNAL(closedWindow(MdiSubWindow *)), this,
SLOT(selfClosed(MdiSubWindow *)));
confirmClose(false);
}
/**
* @param g :: The Graph widget which will display the curve
* @param distr :: True for a distribution
* @param style :: The curve type to use
*/
void MantidMatrixCurve::init(Graph *g, bool distr,
GraphOptions::CurveType style) {
// Will throw if name not found but return NULL ptr if the type is incorrect
MatrixWorkspace_const_sptr workspace =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
m_wsName.toStdString());
if (!workspace) // The respective *Data classes will check for index validity
{
std::stringstream ss;
ss << "Workspace named '" << m_wsName.toStdString()
<< "' found but it is not a MatrixWorkspace. ID='"
<< AnalysisDataService::Instance().retrieve(m_wsName.toStdString())->id()
<< "'";
throw std::invalid_argument(ss.str());
}
// Set the curve name if it the non-naming constructor was called
if (this->title().isEmpty()) {
// If there's only one spectrum in the workspace, title is simply workspace
// name
if (workspace->getNumberHistograms() == 1)
this->setTitle(m_wsName);
else
this->setTitle(createCurveName(workspace));
}
Mantid::API::MatrixWorkspace_const_sptr matrixWS =
boost::dynamic_pointer_cast<const Mantid::API::MatrixWorkspace>(
workspace);
// we need to censor the data if there is a log scale because it can't deal
// with negative values, only the y-axis has been found to be problem so far
const bool log = g->isLog(QwtPlot::yLeft);
// Y units are the same for both spectrum and bin plots, e.g. counts
m_yUnits.reset(new Mantid::Kernel::Units::Label(matrixWS->YUnit(),
matrixWS->YUnitLabel()));
if (m_indexType == Spectrum) // Spectrum plot
{
QwtWorkspaceSpectrumData data(*matrixWS, m_index, log, distr);
setData(data);
// For spectrum plots, X axis are actual X axis, e.g. TOF
m_xUnits = matrixWS->getAxis(0)->unit();
} else // Bin plot
{
QwtWorkspaceBinData data(*matrixWS, m_index, log);
setData(data);
// For bin plots, X axis are "spectra axis", e.g. spectra numbers
m_xUnits = matrixWS->getAxis(1)->unit();
}
if (!m_xUnits) {
m_xUnits.reset(new Mantid::Kernel::Units::Empty());
}
int lineWidth = 1;
MultiLayer *ml = dynamic_cast<MultiLayer *>(g->parent()->parent()->parent());
if (ml && (style == GraphOptions::Unspecified ||
ml->applicationWindow()->applyCurveStyleToMantid)) {
applyStyleChoice(style, ml, lineWidth);
} else if (matrixWS->isHistogramData() && !matrixWS->isDistribution()) {
setStyle(QwtPlotCurve::Steps);
setCurveAttribute(
Inverted,
true); // this is the Steps style modifier that makes horizontal steps
} else {
setStyle(QwtPlotCurve::Lines);
}
g->insertCurve(this, lineWidth);
// set the option to draw all error bars from the global settings
if (hasErrorBars()) {
setErrorBars(true, g->multiLayer()->applicationWindow()->drawAllErrors);
}
// Initialise error bar colour to match curve colour
m_errorSettings->m_color = pen().color();
m_errorSettings->setWidth(pen().widthF());
connect(g, SIGNAL(axisScaleChanged(int, bool)), this,
SLOT(axisScaleChanged(int, bool)));
observePostDelete();
connect(this, SIGNAL(resetData(const QString &)), this,
SLOT(dataReset(const QString &)));
observeAfterReplace();
observeADSClear();
}
/**The method responsible for analyzing input workspace parameters and preprocessing detectors positions into reciprocal space
*
* @param InWS2D -- input Matrix workspace with defined instrument
* @param dEModeRequested -- energy conversion mode (direct/indirect/elastic)
* @param updateMasks -- if full detector positions calculations or just update masking requested
* @param OutWSName -- the name for the preprocessed detectors workspace to have in the analysis data service
*
* @return shared pointer to the workspace with preprocessed detectors information.
*/
DataObjects::TableWorkspace_const_sptr ConvertToMDParent::preprocessDetectorsPositions( Mantid::API::MatrixWorkspace_const_sptr InWS2D,const std::string &dEModeRequested,
bool updateMasks, const std::string & OutWSName)
{
DataObjects::TableWorkspace_sptr TargTableWS;
Kernel::DeltaEMode::Type Emode;
// Do we need to reuse output workspace
bool storeInDataService(true);
std::string tOutWSName(OutWSName);
if(tOutWSName=="-"||tOutWSName.empty()) // TargTableWS is recalculated each time;
{
storeInDataService = false;
tOutWSName = "ServiceTableWS"; // TODO: should be hidden?
}
else
{
storeInDataService = true;
}
// if output workspace exists in dataservice, we may try to use it
if(storeInDataService && API::AnalysisDataService::Instance().doesExist(tOutWSName) )
{
TargTableWS = API::AnalysisDataService::Instance().retrieveWS<DataObjects::TableWorkspace>(tOutWSName);
// get number of all histograms (may be masked or invalid)
size_t nHist = InWS2D->getNumberHistograms();
size_t nDetMap=TargTableWS->rowCount();
if(nHist==nDetMap)
{
// let's take at least some precaution to ensure that instrument have not changed
std::string currentWSInstrumentName = InWS2D->getInstrument()->getName();
std::string oldInstrName = TargTableWS->getLogs()->getPropertyValueAsType<std::string>("InstrumentName");
if(oldInstrName==currentWSInstrumentName)
{
if(!updateMasks) return TargTableWS;
//Target workspace with preprocessed detectors exists and seems is correct one.
// We still need to update masked detectors information
TargTableWS = this->runPreprocessDetectorsToMDChildUpdatingMasks(InWS2D,tOutWSName,dEModeRequested,Emode);
return TargTableWS;
}
}
else // there is a workspace in the data service with the same name but this ws is not suitable as target for this algorithm.
{ // Should delete this WS from the dataservice
API::AnalysisDataService::Instance().remove(tOutWSName);
}
}
// No result found in analysis data service or the result is unsatisfactory. Try to calculate target workspace.
TargTableWS =this->runPreprocessDetectorsToMDChildUpdatingMasks(InWS2D,tOutWSName,dEModeRequested,Emode);
if(storeInDataService)
API::AnalysisDataService::Instance().addOrReplace(tOutWSName,TargTableWS);
// else
// TargTableWS->setName(OutWSName);
// check if we got what we wanted:
// in direct or indirect mode input ws has to have input energy
if(Emode==Kernel::DeltaEMode::Direct||Emode==Kernel::DeltaEMode::Indirect)
{
double m_Ei = TargTableWS->getLogs()->getPropertyValueAsType<double>("Ei");
if(isNaN(m_Ei))
{
// Direct mode needs Ei
if(Emode==Kernel::DeltaEMode::Direct)throw(std::invalid_argument("Input neutron's energy has to be defined in inelastic mode "));
// Do we have at least something for Indirect?
float *eFixed = TargTableWS->getColDataArray<float>("eFixed");
if(!eFixed)
throw(std::invalid_argument("Input neutron's energy has to be defined in inelastic mode "));
uint32_t NDetectors = TargTableWS->getLogs()->getPropertyValueAsType<uint32_t>("ActualDetectorsNum");
for(uint32_t i=0;i<NDetectors;i++)
if(isNaN(*(eFixed+i)))throw(std::invalid_argument("Undefined eFixed energy for detector N: "+boost::lexical_cast<std::string>(i)));
}
}
return TargTableWS;
}
/**
* Sum counts in detectors for purposes of rough plotting against the units on the x-axis.
* Assumes that all spectra have different x vectors.
*
* @param dets :: A list of detector IDs to sum.
* @param x :: (output) Time of flight values (or whatever values the x axis has) to plot against.
* @param y :: (output) The sums of the counts for each bin.
* @param size :: (input) Size of the output vectors.
*/
void InstrumentActor::sumDetectorsRagged(QList<int> &dets, std::vector<double> &x, std::vector<double> &y, size_t size) const
{
if ( dets.isEmpty() || size == 0 )
{
x.clear();
y.clear();
return;
}
Mantid::API::MatrixWorkspace_const_sptr ws = getWorkspace();
// create a workspace to hold the data from the selected detectors
Mantid::API::MatrixWorkspace_sptr dws = Mantid::API::WorkspaceFactory::Instance().create(ws,dets.size());
// x-axis limits
double xStart = maxBinValue();
double xEnd = minBinValue();
size_t nSpec = 0; // number of actual spectra to add
// fill in the temp workspace with the data from the detectors
foreach(int id, dets)
{
try {
size_t index = getWorkspaceIndex( id );
dws->dataX(nSpec) = ws->readX(index);
dws->dataY(nSpec) = ws->readY(index);
dws->dataE(nSpec) = ws->readE(index);
double xmin = dws->readX(nSpec).front();
double xmax = dws->readX(nSpec).back();
if ( xmin < xStart )
{
xStart = xmin;
}
if ( xmax > xEnd )
{
xEnd = xmax;
}
++nSpec;
} catch (Mantid::Kernel::Exception::NotFoundError &) {
continue; // Detector doesn't have a workspace index relating to it
}
}
if ( nSpec == 0 )
{
x.clear();
y.clear();
return;
}
// limits should exceed the integration range
if ( xStart < minBinValue() )
{
xStart = minBinValue();
}
if ( xEnd > maxBinValue() )
{
xEnd = maxBinValue();
}
double dx = (xEnd - xStart) / static_cast<double>(size - 1);
std::string params = QString("%1,%2,%3").arg(xStart).arg(dx).arg(xEnd).toStdString();
std::string outName = "_TMP_sumDetectorsRagged";
try
{
// rebin all spectra to the same binning
Mantid::API::IAlgorithm * alg = Mantid::API::FrameworkManager::Instance().createAlgorithm("Rebin",-1);
alg->setProperty( "InputWorkspace", dws );
alg->setPropertyValue( "OutputWorkspace", outName );
alg->setPropertyValue( "Params", params );
alg->execute();
ws = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(Mantid::API::AnalysisDataService::Instance().retrieve(outName));
Mantid::API::AnalysisDataService::Instance().remove( outName );
x = ws->readX(0);
y = ws->readY(0);
// add the spectra
for(size_t i = 0; i < nSpec; ++i)
{
const Mantid::MantidVec& Y = ws->readY(i);
std::transform( y.begin(), y.end(), Y.begin(), y.begin(), std::plus<double>() );
}
}
catch(std::invalid_argument&)
{
// wrong Params for any reason
x.resize(size,(xEnd + xStart)/2);
y.resize(size,0.0);
}
}