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| 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 | |
| parent | 6e2199a3ce1addb3887d919efbb7e4c80709cee3 (diff) | |
Add new setting of 4/mmm
| -rw-r--r-- | libcrystfel/src/symmetry.c | 12 | ||||
| -rw-r--r-- | tests/symmetry_check.c | 1 |
2 files changed, 13 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(); diff --git a/tests/symmetry_check.c b/tests/symmetry_check.c index 7beb51b8..abeeae4e 100644 --- a/tests/symmetry_check.c +++ b/tests/symmetry_check.c @@ -261,6 +261,7 @@ int main(int argc, char *argv[]) check_pg_props( "-42m", 8, 0, &fail); check_pg_props( "-4m2", 8, 0, &fail); check_pg_props( "4/mmm", 16, 1, &fail); + check_pg_props( "4/mmm_uaa", 16, 1, &fail); STATUS("\n"); check_pg_props( "3_R", 3, 0, &fail); |