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Diffstat (limited to 'src/symmetry.c')
-rw-r--r--src/symmetry.c30
1 files changed, 30 insertions, 0 deletions
diff --git a/src/symmetry.c b/src/symmetry.c
index 582fd1b1..3e9cf5ed 100644
--- a/src/symmetry.c
+++ b/src/symmetry.c
@@ -48,6 +48,9 @@ static int check_cond(signed int h, signed int k, signed int l, const char *sym)
|| ( (h==0) && (k>=0) && (l>=0) );
/* Tetragonal */
+ if ( strcmp(sym, "4/mmm") == 0 )
+ return ( (((h>0) && (k>=0)) || ((h==0) && (k==0))) && (l>=0)
+ && (h>=k) ); /* Like 6/mmm */
if ( strcmp(sym, "422") == 0 )
return ( (((h>=0) && (k>0)) || ((h==0) && (k==0)))
&& (h>=k) );
@@ -87,6 +90,7 @@ int num_general_equivs(const char *sym)
/* Tetragonal */
if ( strcmp(sym, "422") == 0 ) return 8;
+ if ( strcmp(sym, "4/mmm") == 0 ) return 16;
/* Hexagonal */
if ( strcmp(sym, "6") == 0 ) return 6;
@@ -154,6 +158,27 @@ void get_general_equiv(signed int h, signed int k, signed int l,
}
}
+ if ( strcmp(sym, "4/mmm") == 0 ) {
+ switch ( idx ) {
+ case 0 : *he = h; *ke = k; *le = l; return;
+ case 1 : *he = -h; *ke = -k; *le = l; return;
+ case 2 : *he = -k; *ke = h; *le = l; return;
+ case 3 : *he = k; *ke = -h; *le = l; return;
+ case 4 : *he = -h; *ke = k; *le = -l; return;
+ case 5 : *he = h; *ke = -k; *le = -l; return;
+ case 6 : *he = k; *ke = h; *le = -l; return;
+ case 7 : *he = -k; *ke = -h; *le = -l; return;
+ case 8 : *he = -h; *ke = -k; *le = -l; return;
+ case 9 : *he = h; *ke = k; *le = -l; return;
+ case 10 : *he = k; *ke = -h; *le = -l; return;
+ case 11 : *he = -k; *ke = h; *le = -l; return;
+ case 12 : *he = h; *ke = -k; *le = l; return;
+ case 13 : *he = -h; *ke = k; *le = l; return;
+ case 14 : *he = -k; *ke = -h; *le = l; return;
+ case 15 : *he = k; *ke = h; *le = l; return;
+ }
+ }
+
if ( strcmp(sym, "6") == 0 ) {
switch ( idx ) {
case 0 : *he = h; *ke = k; *le = l; return;
@@ -314,6 +339,7 @@ const char *get_holohedral(const char *sym)
/* Tetragonal */
if ( strcmp(sym, "422") == 0 ) return "4/mmm";
+ if ( strcmp(sym, "4/mmm") == 0 ) return "4/mmm";
/* Hexagonal */
if ( strcmp(sym, "6") == 0 ) return "6/mmm";
@@ -486,6 +512,7 @@ int is_polyhedral(const char *sym)
/* Tetragonal */
if ( strcmp(sym, "422") == 0 ) return 0;
+ if ( strcmp(sym, "4/mmm") == 0 ) return 0;
/* Hexagonal */
if ( strcmp(sym, "6") == 0 ) return 0;
@@ -513,6 +540,7 @@ int rotational_order(const char *sym)
/* Tetragonal */
if ( strcmp(sym, "422") == 0 ) return 4;
+ if ( strcmp(sym, "4/mmm") == 0 ) return 4;
/* Hexagonal */
if ( strcmp(sym, "6") == 0 ) return 6;
@@ -538,6 +566,7 @@ int has_perpendicular_mirror(const char *sym)
/* Tetragonal */
if ( strcmp(sym, "422") == 0 ) return 0;
+ if ( strcmp(sym, "4/mmm") == 0 ) return 1;
/* Hexagonal */
if ( strcmp(sym, "6") == 0 ) return 0;
@@ -563,6 +592,7 @@ int has_bisecting_mirror_or_diad(const char *sym)
/* Tetragonal */
if ( strcmp(sym, "422") == 0 ) return 0;
+ if ( strcmp(sym, "4/mmm") == 0 ) return 1;
/* Hexagonal */
if ( strcmp(sym, "6") == 0 ) return 0;