Changeset 3246 for trunk/GSASIIdataGUI.py

Timestamp:

Jan 28, 2018 8:56:19 PM (5 years ago)

Author:

toby

Message:

cif export: use sig for x,x,x positions etc; column order for seq table atom positions; misc Py3 fixes

File:

• trunk/GSASIIdataGUI.py (modified) (4 diffs)

trunk/GSASIIdataGUI.py

@@ -24 +24 @@
 import sys
 import os
-import glob
-import imp
+#import glob
+#import imp
 import inspect
 if '2' in platform.python_version_tuple()[0]:
@@ -6675 +6675 @@
     # sort out the variables in their selected order
     varcols = 0
-    for d in posdict.itervalues():
+    for d in posdict.values():
         varcols = max(varcols,max(d.keys())+1)
     # get labels for each column
@@ -6756 +6756 @@
 
     # add atom parameters to table
-    colLabels += list(atomLookup.keys())
+    colLabels += sorted(atomLookup.keys())
     for parm in sorted(atomLookup):
         G2frame.colList += [[data[name]['newAtomDict'][atomLookup[parm]][1] for name in histNames]]
@@ -6830 +6830 @@
     # Also dicts of variables 
     # for Parametric fitting from the data table
-    parmDict = dict(zip(colLabels,zip(*G2frame.colList)[0])) # scratch dict w/all values in table
+    parmDict = dict(zip(colLabels,list(zip(*G2frame.colList))[0])) # scratch dict w/all values in table
     parmDict.update({var:val for var,val in newCellDict.values()}) #  add varied reciprocal cell terms
     del parmDict['Use']