hkl/hkl-lattice.h

   1 /* This file is part of the hkl library.
   2  *
   3  * The hkl library is free software: you can redistribute it and/or modify
   4  * it under the terms of the GNU General Public License as published by
   5  * the Free Software Foundation, either version 3 of the License, or
   6  * (at your option) any later version.
   7  *
   8  * The hkl library is distributed in the hope that it will be useful,
   9  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  10  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
  11  * GNU General Public License for more details.
  12  *
  13  * You should have received a copy of the GNU General Public License
  14  * along with the hkl library.  If not, see <http://www.gnu.org/licenses/>.
  15  *
  16  * Copyright (C) 2003-2010 Synchrotron SOLEIL
  17  *                         L'Orme des Merisiers Saint-Aubin
  18  *                         BP 48 91192 GIF-sur-YVETTE CEDEX
  19  *
  20  * Authors: Picca Frédéric-Emmanuel <picca@synchrotron-soleil.fr>
  21  */
  22 #ifndef __HKL_LATTICE_H__
  23 #define __HKL_LATTICE_H__
  24
  25 #include <hkl/hkl-parameter.h>
  26 #include <hkl/hkl-matrix.h>
  27
  28 HKL_BEGIN_DECLS
  29
  30 typedef struct _HklLattice HklLattice;
  31
  32 struct _HklLattice
  33 {
  34         HklParameter *a;
  35         HklParameter *b;
  36         HklParameter *c;
  37         HklParameter *alpha;
  38         HklParameter *beta;
  39         HklParameter *gamma;
  40 };
  41
  42 extern HklLattice *hkl_lattice_new(double a, double b, double c,
  43                                    double alpha, double beta, double gamma);
  44 extern HklLattice *hkl_lattice_new_copy(HklLattice const *self);
  45 extern HklLattice *hkl_lattice_new_default(void);
  46
  47 extern void hkl_lattice_free(HklLattice *self);
  48
  49 extern int hkl_lattice_set(HklLattice *self,
  50                            double a, double b, double c,
  51                            double alpha, double beta, double gamma);
  52
  53 extern int hkl_lattice_get_B(HklLattice const *self, HklMatrix *B);
  54
  55 extern int hkl_lattice_get_1_B(const HklLattice *self, HklMatrix *B);
  56
  57 extern int hkl_lattice_reciprocal(HklLattice const *self, HklLattice *r);
  58
  59 extern void hkl_lattice_randomize(HklLattice *self);
  60
  61 extern void hkl_lattice_fprintf(FILE *f, HklLattice const *self);
  62
  63 HKL_END_DECLS
  64
  65 #endif /* __HKL_LATTICE_H__ */