/**
* @brief Extract Q values from vertical dimension of the workspace, or compute
* them.
* @param workspace workspace possibly containing Q values.
*/
std::vector<double> FunctionQDepends::extractQValues(
const Mantid::API::MatrixWorkspace &workspace) {
std::vector<double> qs;
// Check if the vertical axis has units of momentum transfer, then extract Q
// values...
auto axis_ptr =
dynamic_cast<Mantid::API::NumericAxis *>(workspace.getAxis(1));
if (axis_ptr) {
const boost::shared_ptr<Kernel::Unit> &unit_ptr = axis_ptr->unit();
if (unit_ptr->unitID() == "MomentumTransfer") {
qs = axis_ptr->getValues();
}
}
// ...otherwise, compute the momentum transfer for each spectrum, if possible
else {
const auto &spectrumInfo = workspace.spectrumInfo();
size_t numHist = workspace.getNumberHistograms();
for (size_t wi = 0; wi < numHist; wi++) {
if (spectrumInfo.hasDetectors(wi)) {
const auto detID = spectrumInfo.detector(wi).getID();
double efixed = workspace.getEFixed(detID);
double usignTheta = 0.5 * spectrumInfo.twoTheta(wi);
double q = Mantid::Kernel::UnitConversion::convertToElasticQ(usignTheta,
efixed);
qs.push_back(q);
} else {
g_log.debug("Cannot populate Q values from workspace");
qs.clear();
break;
}
}
}
return qs;
}
/**
* Constructs a title using the unicode methods of the UnitLabel
* @param workspace The workspace containing the Y title information
* @param plottingDistribution If true, the Y axis has been divided by the bin
* width
*/
void PlotAxis::titleFromYData(const Mantid::API::MatrixWorkspace &workspace,
const bool plottingDistribution) {
// The workspace can have a custom label so we should use that as a
// preference.
// The workspace.YUnitLabel does some mangling of the string if the user set
// no
// custom label. See MatrixWorkspace::YUnitLabel
const std::string customLabel = workspace.YUnitLabel();
const std::string yunit = workspace.YUnit();
if ((yunit == customLabel) ||
(customLabel.find("per") != std::string::npos)) {
m_title = QString::fromStdString(yunit);
if (plottingDistribution && workspace.axes() > 0 &&
workspace.getAxis(0)->unit()) {
const auto xunit = workspace.getAxis(0)->unit();
const auto lbl = xunit->label();
if (!lbl.utf8().empty()) {
m_title += " (" + QString::fromStdWString(lbl.utf8()) + ")" +
QString::fromWCharArray(L"\u207b\u00b9");
}
}
} else {
m_title = QString::fromStdString(customLabel);
}
}
bool isItSorted(Comparator const &compare,
const Mantid::API::MatrixWorkspace &inputWorkspace) {
for (auto specNum = 0u; specNum < inputWorkspace.getNumberHistograms();
specNum++) {
if (!std::is_sorted(inputWorkspace.x(specNum).begin(),
inputWorkspace.x(specNum).end(),
[&](double lhs, double rhs) -> bool {
return compare(lhs, rhs);
})) {
return false;
}
}
return true;
}
/**
* @brief Determines whether it is a valid histogram or not.
*
* @param inputWorkspace the unsorted input workspace
* @return true if it is a valid histogram else produce a runtime_error
* @return false if it is not a histogram, and is thus point data
*/
bool SortXAxis::determineIfHistogramIsValid(
const Mantid::API::MatrixWorkspace &inputWorkspace) {
// Assuming all X and Ys are the same, if X is not the same size as y, assume
// it is a histogram
if (inputWorkspace.x(0).size() != inputWorkspace.y(0).size()) {
// The only way to guarantee that a histogram is a proper histogram, is to
// check whether each data value is in the correct order.
if (!isItSorted(std::greater<double>(), inputWorkspace)) {
if (!isItSorted(std::less<double>(), inputWorkspace)) {
throw std::runtime_error("Data entered looks like a histogram, but is "
"not a valid histogram");
}
}
return true;
}
return false;
}
/**
* @brief Copies the sorted inputworkspace into the output workspace without
* using clone because of how histograms are supported, for the Y Axis and the E
* Axis.
*
* @param workspaceIndicies the sorted vector of indicies
* @param inputWorkspace the unsorted input workspaces
* @param outputWorkspace the empty output workspace
* @param specNum the spectrum number being copied into
* @param isAProperHistogram whether or not it has been determined to be a valid
* histogram earlier on.
*/
void SortXAxis::copyYandEToOutputWorkspace(
std::vector<std::size_t> &workspaceIndicies,
const Mantid::API::MatrixWorkspace &inputWorkspace,
Mantid::API::MatrixWorkspace &outputWorkspace, unsigned int specNum,
bool isAProperHistogram) {
// If Histogram data find the biggest index value and remove it from
// workspaceIndicies
if (isAProperHistogram) {
auto lastIndexIt =
std::find(workspaceIndicies.begin(), workspaceIndicies.end(),
inputWorkspace.y(specNum).size());
workspaceIndicies.erase(lastIndexIt);
}
auto &inSpaceY = inputWorkspace.y(specNum);
for (auto workspaceIndex = 0u;
workspaceIndex < inputWorkspace.y(specNum).size(); workspaceIndex++) {
outputWorkspace.mutableY(specNum)[workspaceIndex] =
inSpaceY[workspaceIndicies[workspaceIndex]];
}
auto &inSpaceE = inputWorkspace.e(specNum);
for (auto workspaceIndex = 0u;
workspaceIndex < inputWorkspace.e(specNum).size(); workspaceIndex++) {
outputWorkspace.mutableE(specNum)[workspaceIndex] =
inSpaceE[workspaceIndicies[workspaceIndex]];
}
}
void sortByXValue(std::vector<std::size_t> &workspaceIndicies,
const Mantid::API::MatrixWorkspace &inputWorkspace,
unsigned int specNum, Comparator const &compare) {
std::sort(workspaceIndicies.begin(), workspaceIndicies.end(),
[&](std::size_t lhs, std::size_t rhs) -> bool {
return compare(inputWorkspace.x(specNum)[lhs],
inputWorkspace.x(specNum)[rhs]);
});
}
/**
* Construct a QwtWorkspaceSpectrumData object with a source workspace
* @param workspace The workspace containing the data
* @param wsIndex Index of the spectrum to plot
* @param logScaleY If true, plot a log scale
* @param plotAsDistribution If true and the data is histogram and not already a
* distribution then plot the Y values/X bin-width
*/
QwtWorkspaceSpectrumData::QwtWorkspaceSpectrumData(
const Mantid::API::MatrixWorkspace &workspace, int wsIndex,
const bool logScaleY, const bool plotAsDistribution)
: MantidQwtMatrixWorkspaceData(logScaleY), m_wsIndex(wsIndex),
m_X(workspace.readX(wsIndex)), m_Y(workspace.readY(wsIndex)),
m_E(workspace.readE(wsIndex)), m_xTitle(), m_yTitle(),
m_isHistogram(workspace.isHistogramData()),
m_dataIsNormalized(workspace.isDistribution()), m_binCentres(false),
m_isDistribution(false) {
// Actual plotting based on what type of data we have
setAsDistribution(plotAsDistribution &&
!m_dataIsNormalized); // takes into account if this is a
// histogram and sets m_isDistribution
m_xTitle = MantidQt::API::PlotAxis(workspace, 0).title();
m_yTitle = MantidQt::API::PlotAxis((m_dataIsNormalized || m_isDistribution),
workspace).title();
// Calculate the min and max values
calculateYMinAndMax();
}
/**
* @param workspace A reference to the workspace object that this data refers to
*/
void QwtWorkspaceBinData::init(const Mantid::API::MatrixWorkspace &workspace)
{
if(workspace.axes() != 2)
{
std::ostringstream os;
os << "QwtWorkspaceBinData(): Workspace must have two axes, found "
<< workspace.axes();
throw std::invalid_argument(os.str());
}
// Check binIndex is valid
if(static_cast<size_t>(m_binIndex) >= workspace.blocksize())
{
std::ostringstream os;
os << "QwtWorkspaceBinData(): Index out of range. index="
<< m_binIndex << ", nvalues=" << workspace.blocksize();
throw std::out_of_range(os.str());
}
// Fill vectors of data
const size_t nhist = workspace.getNumberHistograms();
auto* vertAxis = workspace.getAxis(1); //supplies X values
m_X.resize(nhist);
m_Y.resize(nhist);
m_E.resize(nhist);
for(size_t i = 0; i < nhist; ++i)
{
m_X[i] = vertAxis->getValue(i);
m_Y[i] = workspace.readY(i)[m_binIndex];
m_E[i] = workspace.readE(i)[m_binIndex];
}
// meta data
m_xTitle = MantidQt::API::PlotAxis(workspace, 1).title();
m_yTitle = MantidQt::API::PlotAxis(workspace).title();
}
/**
* @brief Copies the sorted inputworkspace into the output workspace without
* using clone because of how histograms are supported, for the X Axis and the
* Dx Axis.
*
* @param workspaceIndicies the sorted vector of indecies
* @param inputWorkspace the unsorted initial workspace
* @param outputWorkspace the emptry output workspace
* @param specNum the Spectrum it is currently copying over
*/
void SortXAxis::copyXandDxToOutputWorkspace(
std::vector<std::size_t> &workspaceIndicies,
const Mantid::API::MatrixWorkspace &inputWorkspace,
Mantid::API::MatrixWorkspace &outputWorkspace, unsigned int specNum) {
// Move an ordered X to the output workspace
for (auto workspaceIndex = 0u;
workspaceIndex < inputWorkspace.x(specNum).size(); workspaceIndex++) {
outputWorkspace.mutableX(specNum)[workspaceIndex] =
inputWorkspace.x(specNum)[workspaceIndicies[workspaceIndex]];
}
// If Dx's are present, move Dx's to the output workspace
// If Dx's are present, move Dx's to the output workspace
if (inputWorkspace.hasDx(specNum)) {
for (auto workspaceIndex = 0u;
workspaceIndex < inputWorkspace.dx(specNum).size(); workspaceIndex++) {
outputWorkspace.mutableDx(specNum)[workspaceIndex] =
inputWorkspace.dx(specNum)[workspaceIndicies[workspaceIndex]];
}
}
}