/* Copyright (C) 2010 Atsushi Togo */
/* All rights reserved. */

/* This file is part of spglib. */

/* Redistribution and use in source and binary forms, with or without */
/* modification, are permitted provided that the following conditions */
/* are met: */

/* * Redistributions of source code must retain the above copyright */
/*   notice, this list of conditions and the following disclaimer. */

/* * Redistributions in binary form must reproduce the above copyright */
/*   notice, this list of conditions and the following disclaimer in */
/*   the documentation and/or other materials provided with the */
/*   distribution. */

/* * Neither the name of the phonopy project nor the names of its */
/*   contributors may be used to endorse or promote products derived */
/*   from this software without specific prior written permission. */

/* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS */
/* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT */
/* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS */
/* FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE */
/* COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, */
/* INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, */
/* BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; */
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/* POSSIBILITY OF SUCH DAMAGE. */

#ifndef __spacegroup_H__
#define __spacegroup_H__

#include "cell.h"
#include "mathfunc.h"
#include "primitive.h"
#include "symmetry.h"

typedef struct {
  int number;
  int hall_number;
  int pointgroup_number;
  char schoenflies[7];
  char hall_symbol[17];
  char international[32];
  char international_long[20];
  char international_short[11];
  char choice[6];
  double bravais_lattice[3][3];
  double origin_shift[3];
} Spacegroup;

typedef enum {
  CENTERING_ERROR,
  PRIMITIVE,
  BODY,
  FACE,
  A_FACE,
  B_FACE,
  C_FACE,
  BASE,
  R_CENTER,
} Centering;

Spacegroup * spa_search_spacegroup(const Cell * primitive,
                                   const int hall_number,
                                   const double symprec,
                                   const double angle_tolerance);
int spa_search_spacegroup_with_symmetry(const Symmetry *symmetry,
                                        const double symprec);
Cell * spa_transform_to_primitive(int * mapping_table,
                                  const Cell * cell,
                                  SPGCONST double trans_mat[3][3],
                                  const Centering centering,
                                  const double symprec);
Cell * spa_transform_from_primitive(const Cell * primitive,
                                    const Centering centering,
                                    const double symprec);

#endif
