Changeset 4660 for trunk/GSASIIdataGUI.py

Timestamp:

Nov 23, 2020 5:37:49 PM (2 years ago)

Author:

vondreele

Message:

Add atom site fraction calculator for 2 atom shared sites

File:

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

trunk/GSASIIdataGUI.py

@@ -6176 +6176 @@
             'wxID_ATOMSPDISAGL', 'wxID_ISODISP', 'wxID_ADDHATOM', 'wxID_UPDATEHATOM',
             'wxID_ATOMSROTATE', 'wxID_ATOMSDENSITY','wxID_ATOMSBNDANGLHIST', 
-            'wxID_ATOMSSETALL', 'wxID_ATOMSSETSEL',)
+            'wxID_ATOMSSETALL', 'wxID_ATOMSSETSEL','wxID_ATOMFRACSPLIT',)
         self.AtomsMenu = wx.MenuBar()
         self.PrefillDataMenu(self.AtomsMenu)
@@ -6213 +6213 @@
         self.AtomCompute.Append(G2G.wxID_ATOMSPDISAGL,'Save Distances && Angles','Compute distances & angles for selected atoms')
         self.AtomCompute.Append(G2G.wxID_ATOMSBNDANGLHIST,'Histogram Bonds && Angles','Histogram bonds & angles for selected atoms')
+        self.AtomCompute.Append(G2G.wxID_ATOMFRACSPLIT,'Apportion atom frac','2 atom type site fraction apportion')
         self.AtomCompute.Append(G2G.wxID_ATOMSDENSITY,'Density','Compute density for current phase')
         self.AtomCompute.ISOcalc = self.AtomCompute.Append(G2G.wxID_ISODISP,'ISODISTORT mode values',