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