Changeset 2319 for trunk/GSASIImath.py

Timestamp:

Jun 14, 2016 6:17:31 AM (7 years ago)

Author:

vondreele

Message:

remove stray print & add \n to Dist argument for better column heading
fix symm problem in CalcDist? for seq distances

File:

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

trunk/GSASIImath.py

@@ -1522 +1522 @@
     op = symNo%100-1
     M,T = distance_dict['SGData']['SGOps'][op]
-    M *= inv
-    T *= inv
-    D = T+distance_dict['SGData']['SGCen'][cen]
+    D = T*inv+distance_dict['SGData']['SGCen'][cen]
     D += distance_dict['cellNo']
-    Txyz = np.inner(M,Txyz)+D
+    Txyz = np.inner(M*inv,Txyz)+D
     dist = np.sqrt(np.sum(np.inner(Amat,(Txyz-Oxyz))**2))
 #    GSASIIpath.IPyBreak()