Changeset 3048 for trunk/GSASIIphsGUI.py

Timestamp:

Sep 5, 2017 4:00:51 PM (6 years ago)

Author:

vondreele

Message:

remove item from config_example.py
fix bug in FindAtomsDraw?
implement multiprocessing for refinement - seems ok

File:

• trunk/GSASIIphsGUI.py (modified) (2 diffs)

trunk/GSASIIphsGUI.py

@@ -1003 +1003 @@
     Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
     radii = generalData['BondRadii']
-    if generalData.get('DisAglCtls',{}):
-        radii = generalData['DisAglCtls']['BondRadii']
+#    if generalData.get('DisAglCtls',{}):
+#        radii = generalData['DisAglCtls']['BondRadii']
     atomTypes = generalData['AtomTypes']
     try:
@@ -3291 +3291 @@
         
     def OnValidProtein(event):
-        resNames,Probs1 = G2mth.validProtein(data,True)
-        resNames,Probs2 = G2mth.validProtein(data,False)
+        resNames,Probs1 = G2mth.validProtein(data,True)         #old version
+        resNames,Probs2 = G2mth.validProtein(data,False)        #new version
         print 'Plot 1 is Protein validation based on errat.f'
         print 'Ref: Colovos, C. & Yeates, T.O. Protein Science 2, 1511-1519 (1991).'