Changeset 1360 for trunk/GSASIIphsGUI.py


Ignore:
Timestamp:
May 22, 2014 1:07:10 PM (8 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:
1 edited

Legend:

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  • trunk/GSASIIphsGUI.py

    r1359 r1360  
    169169                generalData['vdWRadii'].append(Info['Vdrad'])
    170170                if atom[ct] in generalData['Isotope']:
    171                     generalData['AtomMass'].append(Info['Isotopes'][generalData['Isotope'][atom[ct]]][0])
     171                    generalData['AtomMass'].append(Info['Isotopes'][generalData['Isotope'][atom[ct]]]['Mass'])
    172172                else:
    173173                    generalData['Isotope'][atom[ct]] = 'Nat. Abund.'
     
    180180            F000X += generalData['NoAtoms'][elem]*generalData['Z']
    181181            isotope = generalData['Isotope'][elem]
    182             F000N += generalData['NoAtoms'][elem]*generalData['Isotopes'][elem][isotope][1]
     182            F000N += generalData['NoAtoms'][elem]*generalData['Isotopes'][elem][isotope]['SL'][0]
    183183        generalData['F000X'] = F000X
    184184        generalData['F000N'] = F000N
     
    406406        def ElemSizer():
    407407           
    408             def OnIsotope(event):
     408            def OnIsotope(event):   #how can I update Atom weight on isotope change?
    409409                Obj = event.GetEventObject()
    410410                item = Indx[Obj.GetId()]
     
    412412                generalData['Isotope'][item] = isotope
    413413                indx = generalData['AtomTypes'].index(item)
    414                 data['General']['AtomMass'][indx] = generalData['Isotopes'][item][isotope][0]
     414                data['General']['AtomMass'][indx] = generalData['Isotopes'][item][isotope]['Mass']
    415415                density,mattCoeff = G2mth.getDensity(generalData)
    416416                denSizer[1].SetValue('%.3f'%(density))
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