Changeset 1360 for trunk/GSASIIphsGUI.py

Timestamp:

May 22, 2014 1:07:10 PM (9 years ago)

Author:

vondreele

Message:

add SRM660b to ImageCalibrants?.py
revamp element stuff to use atmdata.py instead of atmdata.dat
should be immune to old gpx files.

File:

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

trunk/GSASIIphsGUI.py

@@ -169 +169 @@
                 generalData['vdWRadii'].append(Info['Vdrad'])
                 if atom[ct] in generalData['Isotope']:
-                    generalData['AtomMass'].append(Info['Isotopes'][generalData['Isotope'][atom[ct]]][0])
+                    generalData['AtomMass'].append(Info['Isotopes'][generalData['Isotope'][atom[ct]]]['Mass'])
                 else:
                     generalData['Isotope'][atom[ct]] = 'Nat. Abund.'
@@ -180 +180 @@
             F000X += generalData['NoAtoms'][elem]*generalData['Z']
             isotope = generalData['Isotope'][elem]
-            F000N += generalData['NoAtoms'][elem]*generalData['Isotopes'][elem][isotope][1]
+            F000N += generalData['NoAtoms'][elem]*generalData['Isotopes'][elem][isotope]['SL'][0]
         generalData['F000X'] = F000X
         generalData['F000N'] = F000N
@@ -406 +406 @@
         def ElemSizer():
             
-            def OnIsotope(event):
+            def OnIsotope(event):   #how can I update Atom weight on isotope change?
                 Obj = event.GetEventObject()
                 item = Indx[Obj.GetId()]
@@ -412 +412 @@
                 generalData['Isotope'][item] = isotope
                 indx = generalData['AtomTypes'].index(item)
-                data['General']['AtomMass'][indx] = generalData['Isotopes'][item][isotope][0]
+                data['General']['AtomMass'][indx] = generalData['Isotopes'][item][isotope]['Mass']
                 density,mattCoeff = G2mth.getDensity(generalData)
                 denSizer[1].SetValue('%.3f'%(density))