diff options
Diffstat (limited to 'src/reflist.c')
| -rw-r--r-- | src/reflist.c | 37 |
1 files changed, 37 insertions, 0 deletions
diff --git a/src/reflist.c b/src/reflist.c index e420b736..d23b952c 100644 --- a/src/reflist.c +++ b/src/reflist.c @@ -45,6 +45,11 @@ struct _refldata { + /* Symmetric indices (i.e. the "real" indices) */ + signed int hs; + signed int ks; + signed int ls; + /* Partiality and related geometrical stuff */ double r1; /* First excitation error */ double r2; /* Second excitation error */ @@ -288,6 +293,29 @@ void get_indices(const Reflection *refl, /** + * get_symmetric_indices: + * @refl: A %Reflection + * @h: Location at which to store the 'h' index of the reflection + * @k: Location at which to store the 'k' index of the reflection + * @l: Location at which to store the 'l' index of the reflection + * + * This function gives the symmetric indices, that is, the "real" indices before + * squashing down to the asymmetric reciprocal unit. This may be useful if the + * list is indexed according to the asymmetric indices, but you still need + * access to the symmetric version. This happens during post-refinement. + * + **/ +void get_symmetric_indices(const Reflection *refl, + signed int *hs, signed int *ks, + signed int *ls) +{ + *hs = refl->data.hs; + *ks = refl->data.ks; + *ls = refl->data.ls; +} + + +/** * get_partiality: * @refl: A %Reflection * @@ -489,6 +517,15 @@ void set_ph(Reflection *refl, double phase) } +void set_symmetric_indices(Reflection *refl, + signed int hs, signed int ks, signed int ls) +{ + refl->data.hs = hs; + refl->data.ks = ks; + refl->data.ls = ls; +} + + /********************************* Insertion **********************************/ static void insert_node(Reflection *head, Reflection *new) |