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Diffstat (limited to 'libcrystfel/src/crystal.h')
-rw-r--r-- | libcrystfel/src/crystal.h | 75 |
1 files changed, 75 insertions, 0 deletions
diff --git a/libcrystfel/src/crystal.h b/libcrystfel/src/crystal.h new file mode 100644 index 00000000..8c32a87d --- /dev/null +++ b/libcrystfel/src/crystal.h @@ -0,0 +1,75 @@ +/* + * crystal.h + * + * A class representing a single crystal + * + * Copyright © 2013 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. + * + * Authors: + * 2013 Thomas White <taw@physics.org> + * + * This file is part of CrystFEL. + * + * CrystFEL 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. + * + * CrystFEL 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 CrystFEL. If not, see <http://www.gnu.org/licenses/>. + * + */ + +#ifndef CRYSTAL_H +#define CRYSTAL_H + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + + +#include "cell.h" +#include "reflist.h" + + +/** + * Crystal: + * + * This data structure is opaque. You must use the available accessor functions + * to read and write its contents. + **/ +typedef struct _crystal Crystal; + + +extern Crystal *crystal_new(void); +extern Crystal *crystal_copy(Crystal *cryst); +extern void crystal_free(Crystal *cryst); + +extern UnitCell *crystal_get_cell(Crystal *cryst); +extern double crystal_get_profile_radius(Crystal *cryst); +extern RefList *crystal_get_reflections(Crystal *cryst); +extern double crystal_get_resolution_limit(Crystal *cryst); +extern long long int crystal_get_num_saturated_reflections(Crystal *cryst); +extern int crystal_get_user_flag(Crystal *cryst); +extern double crystal_get_osf(Crystal *cryst); +extern struct image *crystal_get_image(Crystal *cryst); +extern double crystal_get_mosaicity(Crystal *cryst); + +extern void crystal_set_cell(Crystal *cryst, UnitCell *cell); +extern void crystal_set_profile_radius(Crystal *cryst, double r); +extern void crystal_set_reflections(Crystal *cryst, RefList *reflist); +extern void crystal_set_resolution_limit(Crystal *cryst, double res); +extern void crystal_set_num_saturated_reflections(Crystal *cryst, + long long int n); +extern void crystal_set_user_flag(Crystal *cryst, int flag); +extern void crystal_set_osf(Crystal *cryst, double osf); +extern void crystal_set_image(Crystal *cryst, struct image *image); +extern void crystal_set_mosaicity(Crystal *cryst, double m); + +#endif /* CRYSTAL_H */ |