diff options
author | Thomas White <taw@physics.org> | 2011-11-15 12:05:55 +0100 |
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committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:40 +0100 |
commit | 38089071300b8e04ed42236dd08d9055094fb3b8 (patch) | |
tree | 91e1487ac820eb549e7652750867cd4fec039097 /src/reflist.h | |
parent | 404c612223dbfa0210902ebc5c9226927335aa65 (diff) |
Introduce "libcrystfel"
Diffstat (limited to 'src/reflist.h')
-rw-r--r-- | src/reflist.h | 112 |
1 files changed, 0 insertions, 112 deletions
diff --git a/src/reflist.h b/src/reflist.h deleted file mode 100644 index 955db69b..00000000 --- a/src/reflist.h +++ /dev/null @@ -1,112 +0,0 @@ -/* - * reflist.h - * - * Fast reflection/peak list - * - * (c) 2011 Thomas White <taw@physics.org> - * - * Part of CrystFEL - crystallography with a FEL - * - */ - -#ifndef REFLIST_H -#define REFLIST_H - -#ifdef HAVE_CONFIG_H -#include <config.h> -#endif - -/** - * RefList: - * - * A %RefList represents a list of Bragg reflections. - * - * This data structure is opaque. You must use the available accessor functions - * to read and write its contents. - * - **/ -typedef struct _reflist RefList; - -/** - * Reflection: - * - * A %Reflection represents a single Bragg reflection. - * - * This data structure is opaque. You must use the available accessor functions - * to read and write its contents. - * - **/ -typedef struct _reflection Reflection; - -/** - * RefListIterator: - * - * A %RefListIterator is an opaque data type used when iterating over a - * %RefList. - * - **/ -typedef struct _reflistiterator RefListIterator; - -/* Creation/deletion */ -extern RefList *reflist_new(void); -extern void reflist_free(RefList *list); -extern Reflection *reflection_new(signed int h, signed int k, signed int l); -extern void reflection_free(Reflection *refl); - -/* Search */ -extern Reflection *find_refl(const RefList *list, signed int h, signed int k, signed int l); -extern Reflection *next_found_refl(Reflection *refl); - -/* Get */ -extern double get_excitation_error(const Reflection *refl); -extern void get_detector_pos(const Reflection *refl, double *fs, double *ss); -extern double get_partiality(const Reflection *refl); -extern void get_indices(const Reflection *refl, - signed int *h, signed int *k, signed int *l); -extern void get_symmetric_indices(const Reflection *refl, - signed int *hs, signed int *ks, - signed int *ls); -extern double get_intensity(const Reflection *refl); -extern void get_partial(const Reflection *refl, double *r1, double *r2, - double *p, int *clamp_low, int *clamp_high); -extern int get_scalable(const Reflection *refl); -extern int get_refinable(const Reflection *refl); -extern int get_redundancy(const Reflection *refl); -extern double get_temp1(const Reflection *refl); -extern double get_temp2(const Reflection *refl); -extern double get_esd_intensity(const Reflection *refl); -extern double get_phase(const Reflection *refl, int *have_phase); - -/* Set */ -extern void copy_data(Reflection *to, const Reflection *from); -extern void set_detector_pos(Reflection *refl, double exerr, - double fs, double ss); -extern void set_partial(Reflection *refl, double r1, double r2, double p, - double clamp_low, double clamp_high); -extern void set_int(Reflection *refl, double intensity); -extern void set_scalable(Reflection *refl, int scalable); -extern void set_refinable(Reflection *refl, int refinable); -extern void set_redundancy(Reflection *refl, int red); -extern void set_temp1(Reflection *refl, double temp); -extern void set_temp2(Reflection *refl, double temp); -extern void set_esd_intensity(Reflection *refl, double esd); -extern void set_ph(Reflection *refl, double phase); -extern void set_symmetric_indices(Reflection *refl, - signed int hs, signed int ks, signed int ls); - -/* Insertion */ -extern Reflection *add_refl(RefList *list, - signed int h, signed int k, signed int l); -extern Reflection *add_refl_to_list(Reflection *refl, RefList *list); - -/* Iteration */ -extern Reflection *first_refl(RefList *list, RefListIterator **piter); -extern Reflection *next_refl(Reflection *refl, RefListIterator *iter); - -/* Misc */ -extern int num_reflections(RefList *list); -extern int tree_depth(RefList *list); -extern void lock_reflection(Reflection *refl); -extern void unlock_reflection(Reflection *refl); - -#endif /* REFLIST_H */ |