PeakAlgorithmHelpers.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2019 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 +
#pragma once
#include "MantidAPI/IAlgorithm.h"
 
namespace Mantid::Kernel {
class V3D;
}
 
namespace Mantid::Crystal {
 
double qConventionFactor(const std::string &convention);
 
double qConventionFactor();
 
using MNPOffset = std::tuple<double, double, double, Kernel::V3D>;
 
struct ModulationProperties {
  inline const static std::string ModVector1{"ModVector1"};
  inline const static std::string ModVector2{"ModVector2"};
  inline const static std::string ModVector3{"ModVector3"};
  inline const static std::string MaxOrder{"MaxOrder"};
  inline const static std::string CrossTerms{"CrossTerms"};
 
  static void appendTo(API::IAlgorithm *alg);
  static ModulationProperties create(const API::IAlgorithm &alg);
 
  std::vector<MNPOffset> offsets;
  int maxOrder;
  bool crossTerms;
  bool saveOnLattice;
};
 
std::vector<Kernel::V3D> validModulationVectors(const std::vector<double> &modVector1,
                                                const std::vector<double> &modVector2,
                                                const std::vector<double> &modVector3);
 
std::vector<Kernel::V3D> addModulationVectors(const std::vector<double> &modVector1,
                                              const std::vector<double> &modVector2,
                                              const std::vector<double> &modVector3);
 
std::vector<MNPOffset> generateOffsetVectors(const std::vector<Kernel::V3D> &modVectors, const int maxOrder,
                                             const bool crossTerms);
std::vector<MNPOffset> generateOffsetVectors(const std::vector<double> &hOffsets, const std::vector<double> &kOffsets,
                                             const std::vector<double> &lOffsets);
} // namespace Mantid::Crystal