Changeset 4291 for trunk/GSASIIdataGUI.py

Timestamp:

Feb 10, 2020 10:06:35 AM (3 years ago)

Author:

vondreele

Message:

new tool in Phase/General? - Compare: compares (P 1 only) structures to ideal octahedra & tetrahedra
gives statistics on bond length, polygon tilts & rotations as well as distortions.

File:

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

trunk/GSASIIdataGUI.py

@@ -5643 +5643 @@
         self.GeneralCalc.Append(G2G.wxID_MULTIMCSA,'Multi MC/SA','Run Monte Carlo - Simulated Annealing on multiprocessors')
         self.GeneralCalc.Append(G2G.wxID_TRANSFORMSTRUCTURE,'Transform','Transform crystal structure')
-        self.GeneralCalc.Append(G2G.wxID_COMPARESTRUCTURE,'Compare','Compare polyhedra in two structures')
+        self.GeneralCalc.Append(G2G.wxID_COMPARESTRUCTURE,'Compare','Compare polyhedra to ideal octahedra/tetrahedra')
         self.GeneralCalc.Append(G2G.wxID_USEBILBAOMAG,'Select magnetic/subgroup phase','If disabled, make in PWDR/Unit Cells')        
         self.GeneralCalc.Append(G2G.wxID_VALIDPROTEIN,'Protein quality','Protein quality analysis')