Changeset 4855
 Timestamp:
 Mar 18, 2021 1:27:55 PM (23 months ago)
 File:

 1 edited
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trunk/GSASIIphsGUI.py
r4849 r4855 3922 3922 colLabels = [Atoms.GetColLabelValue(c) for c in range(Atoms.GetNumberCols())] 3923 3923 ci = colLabels.index('I/A') 3924 choices = ['Type','Name','x','y','z','frac','I/A','Uiso' ]3924 choices = ['Type','Name','x','y','z','frac','I/A','Uiso','Uij'] 3925 3925 if generalData['Type'] == 'magnetic': 3926 3926 choices += ['Mx','My','Mz',] … … 3931 3931 sel = dlg.GetSelection() 3932 3932 parm = choices[sel] 3933 cid = colLabels.index(parm) 3933 cid = 1 3934 if parm != 'Uij': 3935 cid = colLabels.index(parm) 3934 3936 dlg.Destroy() 3935 3937 if parm in ['Type']: … … 4000 4002 FillAtomsGrid(Atoms) 4001 4003 dlg.Destroy() 4004 elif parm == 'Uij': 4005 limits = [0.,0.25] 4006 val = 0.01 4007 dlg = G2G.SingleFloatDialog(G2frame,'Convert Uiso to Uij','Enter default for Uiso'+parm,val,limits) 4008 if dlg.ShowModal() == wx.ID_OK: 4009 parm = dlg.GetValue() 4010 for r in indx: 4011 if not Atoms.IsReadOnly(r,0): #not if in RB! 4012 atomData[r][ci] = 'A' 4013 sytsym = atomData[r][cs] 4014 CSI = G2spc.GetCSuinel(sytsym) 4015 if atomData[r][ci+1] > 0.: 4016 atomData[r][ci+2:ci+8] = atomData[r][ci+1]*np.array(CSI[3]) 4017 else: 4018 atomData[r][ci+2:ci+8] = parm*np.array(CSI[3]) 4019 SetupGeneral() 4020 FillAtomsGrid(Atoms) 4021 dlg.Destroy() 4022 4002 4023 elif parm in ['x','y','z']: 4003 4024 limits = [1.,1.]
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