Changeset 1503 for trunk/GSASIIpwdGUI.py

Timestamp:

Sep 20, 2014 10:55:54 AM (8 years ago)

Author:

vondreele

Message:

begin incommensurate structure stuff -new importers for SHELX HKLF5 and JANA m90 files with superlattice reflection indices. New phase importer for JANA m40 & m50 files. Single crystal reflection lists now have extra columns for superlattitice indices.

File:

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

trunk/GSASIIpwdGUI.py

@@ -2633 +2633 @@
         G2gd.SetDataMenuBar(G2frame)
         refs = data[1]['RefList']
-    else:        
+        Super = data[1].get('Super',0)
+    else:
+        Super = 0   #for now        
         G2gd.SetDataMenuBar(G2frame,G2frame.dataFrame.ReflMenu)
         if not G2frame.dataFrame.GetStatusBar():
@@ -2658 +2660 @@
             
     for i in range(len(refs)): rowLabels.append(str(i))
-    Types = 4*[wg.GRID_VALUE_LONG,]+4*[wg.GRID_VALUE_FLOAT+':10,4',]+ \
+    Types = (4+Super)*[wg.GRID_VALUE_LONG,]+4*[wg.GRID_VALUE_FLOAT+':10,4',]+ \
         2*[wg.GRID_VALUE_FLOAT+':10,2',]+[wg.GRID_VALUE_FLOAT+':10,3',]+ \
         [wg.GRID_VALUE_FLOAT+':10,3',]
+    superLabels = ['M1','M2','M3']
     if HKLF:
         colLabels = ['H','K','L','mul','d','Fosq','sig','Fcsq','FoTsq','FcTsq','phase','ExtC',]
         if 'T' in Inst['Type'][0]:
             colLabels = ['H','K','L','mul','d','Fosq','sig','Fcsq','FoTsq','FcTsq','phase','ExtC','wave','tbar']
-            Types += 2*[wg.GRID_VALUE_FLOAT+':10,3',]            
+            Types += 2*[wg.GRID_VALUE_FLOAT+':10,3',]
+        if Super:
+            for i in range(Super):
+                colLabels.insert(3+i,superLabels[i])
     else:
         if 'C' in Inst['Type'][0]: