Changeset 3684


Ignore:
Timestamp:
Oct 19, 2018 9:28:21 AM (3 years ago)
Author:
vondreele
Message:

fixes to OnRunSubsMag? & OnRunSubs?

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwdGUI.py

    r3683 r3684  
    36373637        controls,bravais,cells,dminx,ssopt,magcells = G2frame.GPXtree.GetItemPyData(pUCid)
    36383638        E,SGData = G2spc.SpcGroup(controls[13])
    3639         kvec = ['0','0','0',' ',' ',' ',' ',' ',' ',' ']
    36403639        Kx = [' ','0','1/2','-1/2','1/3','-1/3','2/3','1']
    36413640        Ky = [' ','0','1/2','1/3','2/3','1']
    36423641        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',],
    36493647                [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',
    36513649                    'bool','%d',])
    36523650        if dlg.ShowModal() == wx.ID_OK:
    36533651            subcells = []
    36543652            newVals = dlg.GetValues()
    3655             kvec[:9] = newVals[:9]
     3653            kvec[:9] = newVals[0]+newVals[1]+newVals[2]+[' ',]
    36563654            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]
    36613659            if 'maximal' in filterby:
    36623660                maximal = True
     
    36893687        Kz = [' ','0','1/2','3/2','1/3','2/3','1']
    36903688        kvec = [['0','0','0'],[' ',' ',' '],[' ',' ',' ',' ']]
    3691         dlg = G2G.MultiDataDialog(G2frame,title='k-SUBGROUPSMAG options',prompts=[' k-vector1',' k-vector2',' k-vector3', \
     3689        dlg = G2G.MultiDataDialog(G2frame,title='k-SUBGROUPSMAG options',prompts=[' k-vector 1',' k-vector 2',' k-vector 3', \
    36923690            ' Use whole star',' Filter by','preserve axes','test for mag. atoms','all have moment','max unique'],
    36933691            values=kvec+[False,'',True,'',False,100],
     
    36993697            magcells = []
    37003698            newVals = dlg.GetValues()
    3701             kvec[:9] = newVals[0]+newVals[1]+newVals[2]
     3699            kvec[:9] = newVals[0]+newVals[1]+newVals[2]+[' ',]
    37023700            nkvec = kvec.index(' ')
    37033701            star = newVals[3]
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