diff options
| -rw-r--r-- | libcrystfel/src/symmetry.c | 17 |
1 files changed, 9 insertions, 8 deletions
diff --git a/libcrystfel/src/symmetry.c b/libcrystfel/src/symmetry.c index a652e413..3c2011d1 100644 --- a/libcrystfel/src/symmetry.c +++ b/libcrystfel/src/symmetry.c @@ -1069,11 +1069,12 @@ static void do_op(const IntegerMatrix *op, * 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. * - * If you don't mind that the same equivalent might appear twice, simply call - * this function the number of times returned by num_ops(), using the actual - * point group. If repeating the same equivalent twice (for example, if the - * given reflection is a special high-symmetry one), call special_position() - * first to get a "specialised" SymOpList and use that instead. + * Call this function multiple times with idx=0 .. num_equivs(ops, m) to get all + * of the equivalent reflections in turn. + * + * If you don't mind that the same equivalent might appear twice, simply let + * @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, signed int h, signed int k, signed int l, @@ -1133,8 +1134,8 @@ void get_equiv(const SymOpList *ops, const SymOpMask *m, int idx, * @k: index of a reflection * @l: index of a reflection * - * This function determines which operations in @ops map the reflection @h, @k, - * @l onto itself, and uses @m to flag the operations in @ops which cause this. + * This function sets up @m to contain information about which operations in + * @ops map the reflection @h, @k, @l onto itself. * **/ void special_position(const SymOpList *ops, SymOpMask *m, @@ -1467,7 +1468,7 @@ static SymOpList *flack_reorder(const SymOpList *source) * operators, which are the symmetry operations which can be added to @target * to generate @source. Only rotations are allowable - no mirrors nor * 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. * |