diff options
| author | Thomas White <taw@physics.org> | 2012-02-05 16:43:18 -0800 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:45 +0100 |
| commit | 18f5b60f594dea2ab2087de78086c3687c472bcd (patch) | |
| tree | 619a295d9d85e1e39b8bf2d1074072ded7ad3836 /libcrystfel/src | |
| parent | 6e2199a3ce1addb3887d919efbb7e4c80709cee3 (diff) | |
Add new setting of 4/mmm
Diffstat (limited to 'libcrystfel/src')
| -rw-r--r-- | libcrystfel/src/symmetry.c | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/libcrystfel/src/symmetry.c b/libcrystfel/src/symmetry.c index 68278b96..ba0f9f81 100644 --- a/libcrystfel/src/symmetry.c +++ b/libcrystfel/src/symmetry.c @@ -517,6 +517,17 @@ static SymOpList *make_4mmm() } +static SymOpList *make_4mmm_uaa() +{ + SymOpList *new = new_symoplist(); + add_symop(new, v(1,0,0,0), v(0,0,0,1), v(0,-1,0,0), 4); /* 4 // h */ + add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,1), 2); /* m -| k */ + add_symop(new, v(-1,0,0,0), v(0,1,0,0), v(0,0,0,1), 2); /* m -| h */ + new->name = strdup("4/mmm_uaa"); + return expand_ops(new); +} + + /************************** Trigonal (Rhombohedral) ***************************/ static SymOpList *make_3_R() @@ -828,6 +839,7 @@ SymOpList *get_pointgroup(const char *sym) if ( strcmp(sym, "4") == 0 ) return make_4(); if ( strcmp(sym, "-4") == 0 ) return make_4bar(); if ( strcmp(sym, "4/mmm") == 0 ) return make_4mmm(); + if ( strcmp(sym, "4/mmm_uaa") == 0 ) return make_4mmm_uaa(); if ( strcmp(sym, "422") == 0 ) return make_422(); if ( strcmp(sym, "-42m") == 0 ) return make_4bar2m(); if ( strcmp(sym, "-4m2") == 0 ) return make_4barm2(); |