Exemple #1
0
/**
 * @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;
}
Exemple #2
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/**
 * 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);
  }
}
Exemple #3
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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;
}
Exemple #4
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/**
 * @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;
}
Exemple #5
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/**
 * @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]];
  }
}
Exemple #6
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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();
}
Exemple #9
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/**
 * @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]];
    }
  }
}