Changeset 3681 for trunk/GSASIIpwdGUI.py
- Timestamp:
- Oct 17, 2018 1:37:42 PM (4 years ago)
- File:
-
- 1 edited
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trunk/GSASIIpwdGUI.py
r3673 r3681 3117 3117 ssopt['SGData'] = SGData 3118 3118 data = [controls,bravais,cells,dminx,ssopt,magcells] 3119 G2frame.dataWindow.RunSubGroups.Enable(True) 3119 3120 G2frame.GPXtree.SetItemPyData(UnitCellsId,data) 3120 3121 OnHklShow(None) … … 3162 3163 if not ssopt.get('Use',False): 3163 3164 G2frame.dataWindow.RunSubGroupsMag.Enable(True) 3165 G2frame.dataWindow.RunSubGroups.Enable(True) 3164 3166 G2frame.GPXtree.SetItemPyData(UnitCellsId,data) 3165 3167 G2frame.dataWindow.RefineCell.Enable(True) … … 3187 3189 controls[13] = SGData['SpGrp'] 3188 3190 # G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt]) 3191 G2frame.dataWindow.RunSubGroups.Enable(True) 3189 3192 G2frame.dataWindow.RefineCell.Enable(True) 3190 3193 OnHklShow(None) … … 3627 3630 phase['Keep'] = False 3628 3631 return uAtms 3632 3633 def OnRunSubs(event): 3634 # import SUBGROUPS as kSUB 3635 G2frame.dataWindow.RunSubGroupsMag.Enable(False) 3636 pUCid = G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Unit Cells List') 3637 controls,bravais,cells,dminx,ssopt,magcells = G2frame.GPXtree.GetItemPyData(pUCid) 3638 E,SGData = G2spc.SpcGroup(controls[13]) 3639 kvec = ['0','0','0',' ',' ',' ',' ',' ',' ',' '] 3640 Kx = [' ','0','1/2','-1/2','1/3','-1/3','2/3','1'] 3641 Ky = [' ','0','1/2','1/3','2/3','1'] 3642 Kz = [' ','0','1/2','3/2','1/3','2/3','1'] 3643 dlg = G2G.MultiDataDialog(G2frame,title='SUBGROUPS options', 3644 prompts=[' kx1 as fr.',' ky1 as fr.',' kz1 as fr.',' kx2 as fr.',' ky2 as fr.',' kz2 as fr.', \ 3645 ' kx3 as fr.',' ky3 as fr.',' kz3 as fr.', \ 3646 ' Use whole star',' Filter by','preserve axes','max unique'], 3647 values=kvec[:9]+[False,'',True,100], 3648 limits=[Kx[1:],Ky[1:],Kz[1:],Kx,Ky,Kz,Kx,Ky,Kz,[True,False],['',' Landau transition',' Only maximal subgroups',], 3649 [True,False],[1,100]], 3650 formats=['choice','choice','choice','choice','choice','choice','choice','choice','choice','bool','choice', 3651 'bool','%d',]) 3652 if dlg.ShowModal() == wx.ID_OK: 3653 subcells = [] 3654 newVals = dlg.GetValues() 3655 kvec[:9] = newVals[:9] 3656 nkvec = kvec.index(' ') 3657 star = newVals[9] 3658 filterby = newVals[10] 3659 keepaxes = newVals[11] 3660 maxequiv = newVals[12] 3661 if 'maximal' in filterby: 3662 maximal = True 3663 Landau = False 3664 elif 'Landau' in filterby: 3665 maximal = False 3666 Landau = True 3667 else: 3668 maximal = False 3669 Landau = False 3670 if nkvec not in [0,3,6,9]: 3671 wx.MessageBox('Error: check your propagation vector(s)', 3672 caption='Bilbao SUBGROUPS setup error',style=wx.ICON_EXCLAMATION) 3673 return 3674 if nkvec in [6,9] and Landau: 3675 wx.MessageBox('Error, multi k-vectors & Landau not compatible', 3676 caption='Bilbao SUBGROUPS setup error',style=wx.ICON_EXCLAMATION) 3677 return 3678 print('run Bilbao SUBGROUPS - TBD') 3629 3679 3630 3680 def OnRunSubsMag(event): 3631 3681 import kSUBGROUPSMAG as kMAG 3682 G2frame.dataWindow.RunSubGroups.Enable(False) 3632 3683 pUCid = G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Unit Cells List') 3633 3684 controls,bravais,cells,dminx,ssopt,magcells = G2frame.GPXtree.GetItemPyData(pUCid) … … 3731 3782 G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.IndexMenu) 3732 3783 G2frame.Bind(wx.EVT_MENU, OnIndexPeaks, id=G2G.wxID_INDEXPEAKS) 3784 G2frame.Bind(wx.EVT_MENU, OnRunSubs, id=G2G.wxID_RUNSUB) 3733 3785 G2frame.Bind(wx.EVT_MENU, OnRunSubsMag, id=G2G.wxID_RUNSUBMAG) 3734 3786 G2frame.Bind(wx.EVT_MENU, CopyUnitCell, id=G2G.wxID_COPYCELL)
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