Changeset 4600 for trunk


Ignore:
Timestamp:
Oct 16, 2020 8:55:45 PM (14 months ago)
Author:
toby
Message:

remove adding atoms warning; fix body fitting bugs

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r4599 r4600  
    1051710517                    return
    1051810518                deltaList = getDeltaXYZ(selDict,data,rbObj)
    10519                 data['testRBObj']['rbObj']['Orig'][0][:] = deltaList.sum(axis=0)/len(deltaList)
     10519                data['testRBObj']['rbObj']['Orig'][0] += deltaList.sum(axis=0)/len(deltaList)
    1052010520                for i,item in enumerate(Xsizers):
    1052110521                    item.SetValue(data['testRBObj']['rbObj']['Orig'][0][i])
     
    1054610546                                      style=wx.ICON_EXCLAMATION)
    1054710547                    return
    10548                 vals = rbObj['Orient'][0][:] + rbObj['Orig'][0][:]
     10548                vals = np.concatenate((rbObj['Orient'][0], rbObj['Orig'][0]))
    1054910549                out = so.leastsq(objectiveDeltaPos,vals,(selDict,data,rbObj))
    1055010550                data['testRBObj']['rbObj']['Orig'][0][:] = out[0][4:]
     
    1061010610            matchTable = assignAtoms(unmatchedRBatoms=unmatchedRBatoms)
    1061110611            if unmatchedRBatoms:
    10612                 msg = 'There are {} atoms that will need to be added to atoms list.'.format(len(unmatchedRBatoms))
    10613                 G2G.G2MessageBox(G2frame,msg,title='Please note')
     10612                # msg = 'There are {} atoms that will need to be added to atoms list.'.format(len(unmatchedRBatoms))
     10613                # G2G.G2MessageBox(G2frame,msg,title='Please note')
    1061410614                for i in unmatchedRBatoms:
    1061510615                    rbAssignments[i] = None
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