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::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));
}
}
/**
* 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;
}
/**
* 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;
}
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 ) );
}
}
/**
* 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;
}
}
}
}
/**
* 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;
}
/**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;
}
