ConventionalCell.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2012 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 "MantidGeometry/Crystal/ReducedCell.h"
#include "MantidGeometry/DllConfig.h"
#include "MantidKernel/Matrix.h"
 
namespace Mantid {
namespace Geometry {
class MANTID_GEOMETRY_DLL ConventionalCell {
public:
  ConventionalCell(const Kernel::DblMatrix &UB, size_t form_num = 0, bool allowPermutations = false);
 
  size_t GetFormNum() const;
 
  double GetError() const;
 
  std::string GetCellType() const;
 
  std::string GetCentering() const;
 
  Kernel::DblMatrix GetOriginalUB() const;
 
  Kernel::DblMatrix GetNewUB() const;
 
  Kernel::DblMatrix GetHKL_Tran() const;
 
  double GetSumOfSides() const;
 
  std::string GetDescription() const;
 
private:
  void init(const Kernel::DblMatrix &UB, const ReducedCell &form_0, ReducedCell &form_i, const bool allowPermutations);
  void SetSidesIncreasing(Kernel::DblMatrix &UB);
  void StandardizeTetragonal(Kernel::DblMatrix &UB);
  void StandardizeHexagonal(Kernel::DblMatrix &UB);
 
  size_t form_number;
  double scalars_error;
  std::string cell_type;
  std::string centering;
  Kernel::DblMatrix original_UB;
  Kernel::DblMatrix adjusted_UB;
  Kernel::DblMatrix hkl_tran;
};
 
} // namespace Geometry
} // namespace Mantid