Changeset 5059

Timestamp:

Oct 30, 2021 9:02:55 AM (23 months ago)

Author:

vondreele

Message:

patch for missing metadata for PDFfit
fix (again) the Va_ neutron scattering length.

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (3 diffs)
• atmdata.py (modified) (1 diff)

trunk/GSASIIphsGUI.py

@@ -4673 +4673 @@
 
     def UpdateRMC():
-        ''' Present the controls for running fullrmc or RMCProfile
+        ''' Present the controls for running fullrmc, RMCProfile or PDFfit
         '''
         global runFile
@@ -5854 +5854 @@
             if 'PDFfit' not in data['RMC']:
                 SGData = G2spc.SpcGroup('P 1')[1]
-                metadata = {'title':'none','date':str(time.ctime()),'temperature':'300K',
-                    'doping':0}
+                metadata = {'title':'none','date':str(time.ctime()),'temperature':'300K','doping':0}
                 files = {'Neutron real space data; G(r): ':['Select',0.05,'G(r)','RMC',],
                           'Xray real space data; G(r): ':['Select',0.01,'G(r)','RMC',],}
@@ -5870 +5869 @@
             if 'cellref' not in RMCPdict:
                 RMCPdict['cellref'] = False
+            if 'metadata' not in RMCPdict:
+                RMCPdict['metadata'] = {'title':'none','date':str(time.ctime()),'temperature':'300K','doping':0}
 #end patch
             mainSizer.Add(wx.StaticText(G2frame.FRMC,label=' Enter metadata items:'),0)

trunk/atmdata.py

@@ -862 +862 @@
     'Cf_249':{'Mass':249.075,'SL':[     .8,      0],'SA':           0},
     'Va_':   {'Mass':0.0,'SL':[0.0,0],'SA':0},
-    'Va':    {'Mass':0.0,'SL':[0.0,0],'SA':0},
         }
 MagFF = {