Changeset 3380 for trunk/GSASIIspc.py

Timestamp:

May 11, 2018 2:40:06 PM (7 years ago)

Author:

vondreele

Message:

Add several text blocks to tutorial listing & switch format to display them.
fix bug involving new restraint layout & an old gpx file.
add GetLittleGrpOps? routine to G2spc

File:

• trunk/GSASIIspc.py (modified) (1 diff)

trunk/GSASIIspc.py ¶

@@ -1727 +1727 @@
         print (l)
         
+def GetLittleGrpOps(SGData,vec):
+    ''' Find rotation part of operators that leave vec unchanged
+    
+    :param SGData: space group data structure as defined in SpcGroup above.
+    :param vec: a numpy array of fractional vector coordinates
+    '''
+    Little = []
+    for [M,T] in SGData['SGOps']:
+        if np.allclose(np.inner(M,vec),vec):
+            Little.append([M,T])
+    return Little
+        
 def SGProd(OpA,OpB):
     '''