Changeset 3684 for trunk/GSASIIpwdGUI.py
- Timestamp:
- Oct 19, 2018 9:28:21 AM (4 years ago)
- File:
-
- 1 edited
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trunk/GSASIIpwdGUI.py
r3683 r3684 3637 3637 controls,bravais,cells,dminx,ssopt,magcells = G2frame.GPXtree.GetItemPyData(pUCid) 3638 3638 E,SGData = G2spc.SpcGroup(controls[13]) 3639 kvec = ['0','0','0',' ',' ',' ',' ',' ',' ',' ']3640 3639 Kx = [' ','0','1/2','-1/2','1/3','-1/3','2/3','1'] 3641 3640 Ky = [' ','0','1/2','1/3','2/3','1'] 3642 3641 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',], 3642 kvec = [['0','0','0'],[' ',' ',' '],[' ',' ',' ',' ']] 3643 dlg = G2G.MultiDataDialog(G2frame,title='SUBGROUPS options',prompts=[' k-vector 1',' k-vector 2',' k-vector 3', \ 3644 ' Use whole star',' Filter by','preserve axes','max unique'], 3645 values=kvec+[False,'',True,'',False,100], 3646 limits=[[Kx[1:],Ky[1:],Kz[1:]],[Kx,Ky,Kz],[Kx,Ky,Kz],[True,False],['',' Landau transition',' Only maximal subgroups',], 3649 3647 [True,False],[1,100]], 3650 formats=[ 'choice','choice','choice','choice','choice','choice','choice','choice','choice','bool','choice',3648 formats=[['choice','choice','choice'],['choice','choice','choice'],['choice','choice','choice'],'bool','choice', 3651 3649 'bool','%d',]) 3652 3650 if dlg.ShowModal() == wx.ID_OK: 3653 3651 subcells = [] 3654 3652 newVals = dlg.GetValues() 3655 kvec[:9] = newVals[ :9]3653 kvec[:9] = newVals[0]+newVals[1]+newVals[2]+[' ',] 3656 3654 nkvec = kvec.index(' ') 3657 star = newVals[ 9]3658 filterby = newVals[ 10]3659 keepaxes = newVals[ 11]3660 maxequiv = newVals[ 12]3655 star = newVals[3] 3656 filterby = newVals[4] 3657 keepaxes = newVals[5] 3658 maxequiv = newVals[6] 3661 3659 if 'maximal' in filterby: 3662 3660 maximal = True … … 3689 3687 Kz = [' ','0','1/2','3/2','1/3','2/3','1'] 3690 3688 kvec = [['0','0','0'],[' ',' ',' '],[' ',' ',' ',' ']] 3691 dlg = G2G.MultiDataDialog(G2frame,title='k-SUBGROUPSMAG options',prompts=[' k-vector 1',' k-vector2',' k-vector3', \3689 dlg = G2G.MultiDataDialog(G2frame,title='k-SUBGROUPSMAG options',prompts=[' k-vector 1',' k-vector 2',' k-vector 3', \ 3692 3690 ' Use whole star',' Filter by','preserve axes','test for mag. atoms','all have moment','max unique'], 3693 3691 values=kvec+[False,'',True,'',False,100], … … 3699 3697 magcells = [] 3700 3698 newVals = dlg.GetValues() 3701 kvec[:9] = newVals[0]+newVals[1]+newVals[2] 3699 kvec[:9] = newVals[0]+newVals[1]+newVals[2]+[' ',] 3702 3700 nkvec = kvec.index(' ') 3703 3701 star = newVals[3]
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