Changeset 5136


Ignore:
Timestamp:
Jan 10, 2022 11:08:41 AM (7 months ago)
Author:
toby
Message:

warn if shift/s.u. may not be correct for CIF project export

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/exports/G2export_CIF.py

    r5128 r5136  
    39053905            'Controls'].get('CellHistSelection',{})
    39063906        self.CellHistSelection = self.OverallParms['Controls']['CellHistSelection']
     3907        if self.OverallParms['Controls']['max cyc'] > 1:
     3908            dlg = wx.MessageDialog(
     3909                self.G2frame,
     3910                'GSAS-II reports the maximum shift to s.u. ratio over all cycles in the last refinement,'+
     3911                ' while CIF expects it over only the last cycle. \n\n'+
     3912                'Do you want to set the maximum cycles to 1 and repeat the last refinement'+
     3913                ' so these will be the same before creating CIF? (Use No to continue)',
     3914                'Max(shift/esd) in question',wx.YES|wx.NO)
     3915            ret = dlg.ShowModal()
     3916            dlg.CenterOnParent()
     3917            dlg.Destroy()
     3918            if ret == wx.ID_YES:
     3919                self.OverallParms['Controls']['max cyc'] = 1
     3920                self.G2frame.OnRefine(None)
     3921                self.InitExport(event)  # restart export using updated project
     3922                self.loadTree()
     3923               
    39073924        # create a dict with refined values and their uncertainties
    39083925        self.loadParmDict()
     
    45374554
    45384555    def Exporter(self,event=None,seqData=None,Controls=None):
     4556        self.CIFname = ''
    45394557        self.seqData = seqData
    45404558        self.Controls = Controls
    45414559        self.InitExport(event)
    4542         self.CIFname = ''
    4543         # load all of the tree into a set of dicts
    4544         self.loadTree()
     4560        self.loadTree()         # load all of the tree into a set of dicts
    45454561        self._Exporter(event=event)
    45464562        self.CloseFile()
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