Changeset 4562

Timestamp:

Sep 6, 2020 4:23:42 PM (3 years ago)

Author:

vondreele

Message:

remove extra equivalent positions from dist/angle list - needed %1. in test for equivalence

File:

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

trunk/GSASIIspc.py

@@ -2102 +2102 @@
                     newX = XT
                 if All:
-                    if np.allclose(newX,X,atol=0.0002):
+                    if np.allclose(newX,X,atol=0.0002):     #do we want %1. here?
                         idup = False
                 else:
-                    if True in [np.allclose(newX,oldX,atol=0.0002) for oldX in XYZEquiv]:
+                    if True in [np.allclose(newX%1.,oldX%1.,atol=0.0002) for oldX in XYZEquiv]:
                         idup = False
                 if All or idup: