ConvertCWSDMDtoHKL.h

#ifndef MANTID_MDALGORITHMS_CONVERTCWSDMDTOHKL_H_
#define MANTID_MDALGORITHMS_CONVERTCWSDMDTOHKL_H_

#include "MantidAPI/Algorithm.h"
#include "MantidAPI/IMDEventWorkspace_fwd.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidGeometry/MDGeometry/MDTypes.h"
#include "MantidKernel/Matrix.h"
#include "MantidKernel/System.h"
#include "MantidKernel/V3D.h"
#include "MantidMDAlgorithms/DllConfig.h"

namespace Mantid {
namespace MDAlgorithms {

/** ConvertCWSDMDtoHKL : TODO: DESCRIPTION

  Copyright © 2015 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
  National Laboratory & European Spallation Source

  This file is part of Mantid.

  Mantid is free software; you can redistribute it and/or modify
  it under the terms of the GNU General Public License as published by
  the Free Software Foundation; either version 3 of the License, or
  (at your option) any later version.

  Mantid is distributed in the hope that it will be useful,
  but WITHOUT ANY WARRANTY; without even the implied warranty of
  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
  GNU General Public License for more details.

  You should have received a copy of the GNU General Public License
  along with this program.  If not, see <http://www.gnu.org/licenses/>.

  File change history is stored at: <https://github.com/mantidproject/mantid>
  Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class MANTID_MDALGORITHMS_DLL ConvertCWSDMDtoHKL : public API::Algorithm {
public:
  /// Algorithm's name
  const std::string name() const override { return "ConvertCWSDMDtoHKL"; }

  /// Summary of algorithms purpose
  const std::string summary() const override {
    return "Convert constant wavelength single crystal diffractomer's data"
           "in MDEventWorkspace and in unit of Q-sample to the HKL space "
           "by UB matrix.";
  }

  /// Algorithm's version
  int version() const override { return (1); }

  /// Algorithm's category for identification
  const std::string category() const override {
    return "Diffraction\\ConstantWavelength";
  }

private:
  /// Initialisation code
  void init() override;

  /// Execution code
  void exec() override;

  void exportEvents(API::IMDEventWorkspace_sptr mdws,
                    std::vector<Kernel::V3D> &vec_event_qsample,
                    std::vector<signal_t> &vec_event_signal,
                    std::vector<detid_t> &vec_event_det);

  void convertFromQSampleToHKL(const std::vector<Kernel::V3D> &q_vectors,
                               std::vector<Kernel::V3D> &miller_indices);

  API::IMDEventWorkspace_sptr
  createHKLMDWorkspace(const std::vector<Kernel::V3D> &vec_hkl,
                       const std::vector<signal_t> &vec_signal,
                       const std::vector<detid_t> &vec_detid);

  void addMDEvents(std::vector<std::vector<coord_t>> &vec_q_sample,
                   std::vector<float> &vec_signal);

  void
  saveMDToFile(std::vector<std::vector<Mantid::coord_t>> &vec_event_qsample,
               std::vector<float> &vec_event_signal);

  void saveEventsToFile(const std::string &filename,
                        std::vector<Kernel::V3D> &vec_event_pos,
                        std::vector<signal_t> &vec_event_signal,
                        std::vector<detid_t> &vec_event_detid);

  void getUBMatrix();

  void getRange(const std::vector<Kernel::V3D> vec_hkl,
                std::vector<double> &extentMins,
                std::vector<double> &extentMaxs);

  API::IMDEventWorkspace_sptr m_outputWS;

  Kernel::Matrix<double> m_UB;
};

} // namespace MDAlgorithms
} // namespace Mantid

#endif /* MANTID_MDALGORITHMS_CONVERTCWSDMDTOHKL_H_ */