diff options
| -rw-r--r-- | src/reflist.c | 47 |
1 files changed, 38 insertions, 9 deletions
diff --git a/src/reflist.c b/src/reflist.c index 7f5d011e..220b32bd 100644 --- a/src/reflist.c +++ b/src/reflist.c @@ -17,15 +17,16 @@ struct _reflection { - unsigned int serial; /* Serial number */ + /* Listy stuff */ + unsigned int serial; /* Unique serial number, key */ + struct _reflection *child[2]; /* Child nodes */ + struct _reflection *parent; /* Parent node */ signed int h; signed int k; signed int l; - double excitation_error; - - /* Partiality */ + /* Partiality and related geometrical stuff */ double r1; /* First excitation error */ double r2; /* Second excitation error */ double p; /* Partiality */ @@ -33,21 +34,24 @@ struct _reflection { int clamp2; /* Clamp status for r2 */ /* Location in image */ - int x; - int y; + double x; + double y; + /* The distance from the exact Bragg position to the coordinates + * given above. */ + double excitation_error; + + /* Non-zero if this reflection can be used for scaling */ int scalable; /* Intensity */ double intensity; - - }; struct _reflist { - struct ref *head; + struct _reflection *head; }; @@ -60,13 +64,24 @@ RefList *reflist_new() RefList *new; new = malloc(sizeof(struct _reflist)); + new->head = NULL; return new; } +static void recursive_free(Reflection *refl) +{ + if ( refl->child[0] != NULL ) recursive_free(refl->child[0]); + if ( refl->child[1] != NULL ) recursive_free(refl->child[1]); + free(refl); +} + + void reflist_free(RefList *list) { + recursive_free(list->head); + free(list); } @@ -86,37 +101,51 @@ Reflection *next_found_refl(Reflection *refl) double get_excitation_error(Reflection *refl) { + return refl->excitation_error; } void get_detector_pos(Reflection *refl, double *x, double *y) { + *x = refl->x; + *y = refl->y; } void get_indices(Reflection *refl, signed int *h, signed int *k, signed int *l) { + *h = refl->h; + *k = refl->k; + *l = refl->l; } double get_partiality(Reflection *refl) { + return refl->p; } double get_intensity(Reflection *refl) { + return refl->intensity; } void get_partial(Reflection *refl, double *r1, double *r2, double *p, int *clamp_low, int *clamp_high) { + *r1 = refl->r1; + *r2 = refl->r2; + *p = get_partiality(refl); + *clamp_low = refl->clamp1; + *clamp_high = refl->clamp2; } int get_scalable(Reflection *refl) { + return refl->scalable; } |