FunctionDomain1DSpectrumCreator.cpp

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
//   NScD Oak Ridge National Laboratory, European Spallation Source,
//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#include <utility>
 
#include "MantidAPI/IFunction.h"
#include "MantidCurveFitting/FunctionDomain1DSpectrumCreator.h"
#include "MantidHistogramData/BinEdges.h"
#include "MantidHistogramData/Points.h"
 
#include "MantidAPI/MatrixWorkspace.h"
 
namespace Mantid::CurveFitting {
 
using namespace API;
using namespace HistogramData;
FunctionDomain1DSpectrumCreator::FunctionDomain1DSpectrumCreator()
    : IDomainCreator(nullptr, std::vector<std::string>(), FunctionDomain1DSpectrumCreator::Simple), m_matrixWorkspace(),
      m_workspaceIndex(0), m_workspaceIndexIsSet(false) {}
 
void FunctionDomain1DSpectrumCreator::setMatrixWorkspace(MatrixWorkspace_sptr matrixWorkspace) {
  m_matrixWorkspace = std::move(matrixWorkspace);
}
 
void FunctionDomain1DSpectrumCreator::setWorkspaceIndex(size_t workspaceIndex) {
  m_workspaceIndex = workspaceIndex;
 
  m_workspaceIndexIsSet = true;
}
 
void FunctionDomain1DSpectrumCreator::createDomain(std::shared_ptr<FunctionDomain> &domain,
                                                   std::shared_ptr<FunctionValues> &values, size_t i0) {
  throwIfWorkspaceInvalid();
 
  auto points = m_matrixWorkspace->points(m_workspaceIndex);
  domain.reset(new FunctionDomain1DSpectrum(m_workspaceIndex, points.mutableRawData()));
 
  if (!values) {
    values.reset(new FunctionValues(*domain));
  } else {
    values->expand(i0 + domain->size());
  }
 
  const auto &yData = m_matrixWorkspace->y(m_workspaceIndex);
  const auto &eData = m_matrixWorkspace->e(m_workspaceIndex);
 
  for (size_t i = 0; i < yData.size(); ++i) {
    values->setFitData(i, yData[i]);
    values->setFitWeight(i, 1.0 / (eData[i] != 0 ? eData[i] : 1.0));
  }
}
 
size_t FunctionDomain1DSpectrumCreator::getDomainSize() const {
  throwIfWorkspaceInvalid();
 
  size_t numberOfXValues = m_matrixWorkspace->x(m_workspaceIndex).size();
 
  if (m_matrixWorkspace->isHistogramData()) {
    return numberOfXValues - 1;
  }
 
  return numberOfXValues;
}
 
void FunctionDomain1DSpectrumCreator::throwIfWorkspaceInvalid() const {
  if (!m_matrixWorkspace) {
    throw std::invalid_argument("No matrix workspace assigned or does not "
                                "contain histogram data - cannot create "
                                "domain.");
  }
 
  if (!m_workspaceIndexIsSet || m_workspaceIndex >= m_matrixWorkspace->getNumberHistograms()) {
    throw std::invalid_argument("Workspace index has not been set or is invalid.");
  }
}
 
} // namespace Mantid::CurveFitting