diff options
Diffstat (limited to 'libcrystfel/src/crystal.h')
| -rw-r--r-- | libcrystfel/src/crystal.h | 30 |
1 files changed, 9 insertions, 21 deletions
diff --git a/libcrystfel/src/crystal.h b/libcrystfel/src/crystal.h index 5a4ca3f6..1804fa35 100644 --- a/libcrystfel/src/crystal.h +++ b/libcrystfel/src/crystal.h @@ -3,11 +3,11 @@ * * A class representing a single crystal * - * Copyright © 2013-2021 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2013-2024 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: - * 2013-2020 Thomas White <taw@physics.org> + * 2013-2024 Thomas White <taw@physics.org> * 2016 Valerio Mariani * * This file is part of CrystFEL. @@ -43,51 +43,39 @@ **/ typedef struct _crystal Crystal; -#include "reflist.h" - #ifdef __cplusplus extern "C" { #endif extern Crystal *crystal_new(void); extern Crystal *crystal_copy(const Crystal *cryst); -extern Crystal *crystal_copy_deep(const Crystal *cryst); extern void crystal_free(Crystal *cryst); extern UnitCell *crystal_get_cell(Crystal *cryst); -extern const UnitCell *crystal_get_cell_const(const Crystal *cryst); +extern UnitCell *crystal_relinquish_cell(Crystal *cryst); extern double crystal_get_profile_radius(const 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 long long int crystal_get_num_implausible_reflections(Crystal *cryst); extern int crystal_get_user_flag(Crystal *cryst); extern double crystal_get_osf(Crystal *cryst); extern double crystal_get_Bfac(Crystal *cryst); -extern struct image *crystal_get_image(Crystal *cryst); -extern const struct image *crystal_get_image_const(const Crystal *cryst); extern double crystal_get_mosaicity(Crystal *cryst); extern const char *crystal_get_notes(Crystal *cryst); -extern void crystal_get_det_shift(Crystal *cryst, - double *shift_x, double* shift_y); +extern void crystal_get_det_shift(Crystal *cryst, double *shift_x, double *shift_y); +extern long long int crystal_get_num_saturated_reflections(Crystal *cryst); +extern long long int crystal_get_num_implausible_reflections(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_num_implausible_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_Bfac(Crystal *cryst, double B); -extern void crystal_set_image(Crystal *cryst, struct image *image); extern void crystal_set_mosaicity(Crystal *cryst, double m); extern void crystal_set_notes(Crystal *cryst, const char *notes); -extern void crystal_set_det_shift(Crystal *cryst, - double shift_x, double shift_y); extern void crystal_add_notes(Crystal *cryst, const char *notes_add); +extern void crystal_set_det_shift(Crystal *cryst, double shift_x, double shift_y); +extern void crystal_set_num_saturated_reflections(Crystal *cryst, long long int n); +extern void crystal_set_num_implausible_reflections(Crystal *cryst, long long int n); #ifdef __cplusplus } |