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Oleksii Turkot
CrystFEL
Commits
a64d5b14
Commit
a64d5b14
authored
Jan 10, 2013
by
Thomas White
Browse files
Fix documentation
parent
75e8777d
Changes
1
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Inline
Side-by-side
libcrystfel/src/symmetry.c
View file @
a64d5b14
...
...
@@ -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
d
et
ermines 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
s
et
s 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_
op
s() on the result.
* To count the number of possibilities, use num_
equiv
s() on the result.
*
* The algorithm used is "Algorithm A" from Flack (1987), Acta Cryst A43 p564.
*
...
...
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