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-rw-r--r--src/reflist.c47
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;
}