Changeset 3246 for trunk/exports/G2export_CIF.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/exports/G2export_CIF.py (modified) (2 diffs)

trunk/exports/G2export_CIF.py

@@ -56 +56 @@
 import GSASIIspc as G2spc
 import GSASIIstrMain as G2stMn
+import GSASIImapvars as G2mv
 
 DEBUG = False    #True to skip printing of reflection/powder profile lists
@@ -166 +167 @@
                     val = parmDict.get(var,at[j])
                     sig = sigDict.get(dvar,sigdig)
+                    if dvar in G2mv.GetDependentVars(): # do not include an esd for dependent vars
+                        sig = -abs(sig)
                 s += PutInCol(G2mth.ValEsd(val,sig),dig)
         s += PutInCol(at[cs+1],3)