Commit a64d5b14 authored by Thomas White's avatar Thomas White
Browse files

Fix documentation

parent 75e8777d
...@@ -1069,11 +1069,12 @@ static void do_op(const IntegerMatrix *op, ...@@ -1069,11 +1069,12 @@ static void do_op(const IntegerMatrix *op,
* This function applies the @idx-th symmetry operation from @ops to the * This function applies the @idx-th symmetry operation from @ops to the
* reflection @h, @k, @l, and stores the result at @he, @ke and @le. * reflection @h, @k, @l, and stores the result at @he, @ke and @le.
* *
* If you don't mind that the same equivalent might appear twice, simply call * Call this function multiple times with idx=0 .. num_equivs(ops, m) to get all
* this function the number of times returned by num_ops(), using the actual * of the equivalent reflections in turn.
* point group. If repeating the same equivalent twice (for example, if the *
* given reflection is a special high-symmetry one), call special_position() * If you don't mind that the same equivalent might appear twice, simply let
* first to get a "specialised" SymOpList and use that instead. * @m = NULL. Otherwise, call new_symopmask() and then special_position() to
* set up a %SymOpMask appropriately.
**/ **/
void get_equiv(const SymOpList *ops, const SymOpMask *m, int idx, void get_equiv(const SymOpList *ops, const SymOpMask *m, int idx,
signed int h, signed int k, signed int l, signed int h, signed int k, signed int l,
...@@ -1133,8 +1134,8 @@ void get_equiv(const SymOpList *ops, const SymOpMask *m, int idx, ...@@ -1133,8 +1134,8 @@ void get_equiv(const SymOpList *ops, const SymOpMask *m, int idx,
* @k: index of a reflection * @k: index of a reflection
* @l: index of a reflection * @l: index of a reflection
* *
* This function determines which operations in @ops map the reflection @h, @k, * This function sets up @m to contain information about which operations in
* @l onto itself, and uses @m to flag the operations in @ops which cause this. * @ops map the reflection @h, @k, @l onto itself.
* *
**/ **/
void special_position(const SymOpList *ops, SymOpMask *m, void special_position(const SymOpList *ops, SymOpMask *m,
...@@ -1467,7 +1468,7 @@ static SymOpList *flack_reorder(const SymOpList *source) ...@@ -1467,7 +1468,7 @@ static SymOpList *flack_reorder(const SymOpList *source)
* operators, which are the symmetry operations which can be added to @target * operators, which are the symmetry operations which can be added to @target
* to generate @source. Only rotations are allowable - no mirrors nor * to generate @source. Only rotations are allowable - no mirrors nor
* inversions. * inversions.
* To count the number of possibilities, use num_ops() on the result. * To count the number of possibilities, use num_equivs() on the result.
* *
* The algorithm used is "Algorithm A" from Flack (1987), Acta Cryst A43 p564. * The algorithm used is "Algorithm A" from Flack (1987), Acta Cryst A43 p564.
* *
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