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;
}
}
}
/// 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;
}
/**
* 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;
}
/**
* 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;
}
/**
* @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();
}