diff options
Diffstat (limited to 'libcrystfel/src/reflist.h')
| -rw-r--r-- | libcrystfel/src/reflist.h | 34 |
1 files changed, 23 insertions, 11 deletions
diff --git a/libcrystfel/src/reflist.h b/libcrystfel/src/reflist.h index 30bbaa28..110280d6 100644 --- a/libcrystfel/src/reflist.h +++ b/libcrystfel/src/reflist.h @@ -38,11 +38,26 @@ #define GET_K(serial) ((((serial) & 0x000ffc00)>>10)-512) #define GET_L(serial) (((serial) & 0x000003ff)-512) +/** + * \file reflist.h + * The fast reflection list stores reflections in an RB-tree indexed + * by the Miller indices h, k and l. Any reflection can be found in a + * length of time which scales logarithmically with the number of reflections in + * the list. + * + * A RefList can contain any number of reflections, and can store more than + * one reflection with a given set of indices, for example when two distinct + * reflections are to be stored according to their asymmetric indices. + * + * There are getters and setters which can be used to get and set values for an + * individual reflection. The reflection list does not calculate any values, + * only stores what it was given earlier. As such, you will need to carefully + * examine which fields your prior processing steps have filled in. + */ + /** - * RefList: - * - * A %RefList represents a list of Bragg reflections. + * 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. @@ -51,9 +66,7 @@ typedef struct _reflist RefList; /** - * Reflection: - * - * A %Reflection represents a single Bragg 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. @@ -62,10 +75,8 @@ typedef struct _reflist RefList; typedef struct _reflection Reflection; /** - * RefListIterator: - * - * A %RefListIterator is an opaque data type used when iterating over a - * %RefList. + * A RefListIterator is an opaque data type used when iterating over a + * RefList. * **/ typedef struct _reflistiterator RefListIterator; @@ -85,8 +96,9 @@ struct reflection_contributions Crystal **contrib_crystals; }; -/* 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); |