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