NiggliCell.h

#ifndef MANTID_GEOMETRY_NiggliCell_H_
#define MANTID_GEOMETRY_NiggliCell_H_

#include "MantidGeometry/Crystal/UnitCell.h"
#include <nexus/NeXusFile.hpp>

namespace Mantid {
namespace Geometry {
/** @class NiggliCell NiggliCell.h Geometry/Crystal/NiggliCell.h
Class to implement UB matrix.
See documentation about UB matrix in the Mantid repository.\n

@author Andrei Savici, SNS, ORNL
@date 2011-04-15
Copyright &copy; 2007-8 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_GEOMETRY_DLL NiggliCell : public UnitCell {
public:
  // Default constructor. a = b = c = 1, alpha = beta = gamma = 90 degrees
  NiggliCell(const Kernel::DblMatrix &Umatrix = Kernel::DblMatrix(3, 3, true));
  // a,b,c constructor
  NiggliCell(const double _a, const double _b, const double _c,
             const Kernel::DblMatrix &Umatrix = Kernel::DblMatrix(3, 3, true));
  // a,b,c,alpha,beta,gamma constructor
  NiggliCell(const double _a, const double _b, const double _c,
             const double _alpha, const double _beta, const double _gamma,
             const Kernel::DblMatrix &Umatrix = Kernel::DblMatrix(3, 3, true),
             const int angleunit = angDegrees);
  // UnitCell constructor
  NiggliCell(const UnitCell &uc,
             const Kernel::DblMatrix &Umatrix = Kernel::DblMatrix(3, 3, true));
  // Access private variables
  /// Check if a,b,c cell has angles satifying Niggli condition within epsilon
  static bool HasNiggliAngles(const Kernel::V3D &a_dir,
                              const Kernel::V3D &b_dir,
                              const Kernel::V3D &c_dir, double epsilon);

  /// Construct a newUB corresponding to a Niggli cell from the given UB
  static bool MakeNiggliUB(const Kernel::DblMatrix &UB,
                           Kernel::DblMatrix &newUB);

private:
  Kernel::DblMatrix U;
  Kernel::DblMatrix UB;
};
} // namespace Mantid
} // namespace Geometry
#endif /* MANTID_GEOMETRY_UNITCELL_H_ */