Changeset 3210 for trunk/GSASIIspc.py

Timestamp:

Dec 29, 2017 12:52:35 PM (7 years ago)

Author:

vondreele

Message:

some fixes for magnetic incommensurate cifs - dealing with 2 different dictionary defns for mcif!

File:

• trunk/GSASIIspc.py (modified) (3 diffs)

trunk/GSASIIspc.py ¶

@@ -404 +404 @@
         SGText.append(' The equivalent positions are:\n')
     else:    
-        SGText.append(' The equivalent positions are:')
+        SGText.append(' The equivalent positions are:\n')
         SGText.append(' ('+Latt2text(SGData['SGCen'])+')+\n')
     SGTable = []
@@ -1385 +1385 @@
             return True
         if SGData.get('SGGray',False):
-            if sym[-1] == 's':
+            if sym and sym[-1] == 's':
                 sym = sym[:-1]
                 if sym == '':
                     return True
             else:
-                return False
+                sym += 's'
+                return True
 # monoclinic - all done
         if str(SSGKl) == '[-1]' and sym == 's':
@@ -1490 +1491 @@
     if len(gensym) and Ngen != len(SSGKl):
         return 'Wrong number of items in generator symbol '+''.join(gensym),None
-    if not checkGen(gensym):
-        return 'Generator '+''.join(gensym)+' not consistent with space group '+SGData['SpGrp'],None
+#    if not checkGen(gensym):
+#        return 'Generator '+''.join(gensym)+' not consistent with space group '+SGData['SpGrp'],None
     gensym = specialGen(gensym[:Ngen],modsym)
     genQ = [Fracs[mod] for mod in gensym[:Ngen]]