PeakClusterProjection.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 "MantidCrystal/PeakClusterProjection.h"
 
#include "MantidAPI/IMDEventWorkspace.h"
#include "MantidAPI/IMDHistoWorkspace.h"
#include "MantidGeometry/Crystal//PeakTransformHKL.h"
#include "MantidGeometry/Crystal//PeakTransformQLab.h"
#include "MantidGeometry/Crystal//PeakTransformQSample.h"
#include "MantidGeometry/Crystal/IPeak.h"
 
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::Geometry;
 
namespace {
PeakTransform_sptr makePeakTransform(IMDWorkspace const *const mdWS) {
  const SpecialCoordinateSystem mdCoordinates = mdWS->getSpecialCoordinateSystem();
  PeakTransformFactory_sptr peakTransformFactory;
  if (mdCoordinates == QLab) {
    peakTransformFactory = std::make_shared<PeakTransformQLabFactory>();
  } else if (mdCoordinates == QSample) {
    peakTransformFactory = std::make_shared<PeakTransformQSampleFactory>();
  } else if (mdCoordinates == Mantid::Kernel::HKL) {
    peakTransformFactory = std::make_shared<PeakTransformHKLFactory>();
  }
  if (!peakTransformFactory) {
    throw std::runtime_error("Failed to get a valid PeakTransformFactory");
  }
  const std::string xDim = mdWS->getDimension(0)->getName();
  const std::string yDim = mdWS->getDimension(1)->getName();
  PeakTransform_sptr peakTransform = peakTransformFactory->createTransform(xDim, yDim);
  return peakTransform;
}
 
void validate(IMDWorkspace const *const mdWS) {
  auto coordinateSystem = mdWS->getSpecialCoordinateSystem();
  if (coordinateSystem == None) {
    throw std::invalid_argument("Input image IMDHistoWorkspace must have a "
                                "known special coordinate system.");
  }
 
  if (mdWS->getNumDims() < 3) {
    throw std::invalid_argument("Need to have 3 or more dimension in the workspace.");
  }
}
} // namespace
 
namespace Mantid::Crystal {
 
PeakClusterProjection::PeakClusterProjection(std::shared_ptr<Mantid::API::IMDWorkspace> &mdWS) : m_mdWS(mdWS) {
  validate(mdWS.get());
 
  // Make a peak transform so that we can understand a peak in the context of
  // the mdworkspace coordinate setup.
  m_peakTransform = makePeakTransform(mdWS.get());
}
 
PeakClusterProjection::PeakClusterProjection(std::shared_ptr<Mantid::API::IMDHistoWorkspace> &mdWS)
    : m_mdWS(std::static_pointer_cast<IMDWorkspace>(mdWS)) {
  validate(mdWS.get());
 
  // Make a peak transform so that we can understand a peak in the context of
  // the mdworkspace coordinate setup.
  m_peakTransform = makePeakTransform(mdWS.get());
}
 
PeakClusterProjection::PeakClusterProjection(std::shared_ptr<Mantid::API::IMDEventWorkspace> &mdWS)
    : m_mdWS(std::static_pointer_cast<IMDWorkspace>(mdWS)) {
  validate(mdWS.get());
 
  // Make a peak transform so that we can understand a peak in the context of
  // the mdworkspace coordinate setup.
  m_peakTransform = makePeakTransform(mdWS.get());
}
 
Mantid::Kernel::V3D PeakClusterProjection::peakCenter(const IPeak &peak) const {
  return m_peakTransform->transformPeak(peak);
}
 
Mantid::signal_t PeakClusterProjection::signalAtPeakCenter(const IPeak &peak, MDNormalization normalization) const {
  const Mantid::Kernel::V3D &center = m_peakTransform->transformPeak(peak);
  return m_mdWS->getSignalAtVMD(center, normalization);
}
 
} // namespace Mantid::Crystal