Changeset 3593 for trunk/GSASIIpwdGUI.py


Ignore:
Timestamp:
Sep 12, 2018 10:40:37 AM (3 years ago)
Author:
vondreele
Message:

modify the Bilbao dialog; change kx, ky & kz to be ComboBox? of possibilities
new option to require all atoms to have moment
change labels, etc. for clarity

File:
1 edited

Legend:

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Added
Removed
  • trunk/GSASIIpwdGUI.py

    r3591 r3593  
    34423442        kvec = ['0','0','0']
    34433443        dlg = G2G.MultiDataDialog(G2frame,title='k-SUBGROUPSMAG options',
    3444             prompts=[' kx as fr.',' ky as fr.',' kz as fr.',' Use whole star',' Landau transition',' Give intermediate cells','preserve axes','test for mag. atoms'],
    3445             values=kvec+[False,False,False,True,''],
    3446             limits=[['0','1/2','1/3','1/4'],['0','1/2','1/3','1/4'],['0','1/2','1/3','1/4','3/2'],[True,False],[True,False],[True,False],[True,False],testAtoms],
    3447             formats=['str','str','str','bool','bool','bool','bool','choice'])
     3444            prompts=[' kx as fr.',' ky as fr.',' kz as fr.',' Use whole star',' Landau transition',' Give intermediate cells','preserve axes','test for mag. atoms','all have moment'],
     3445            values=kvec+[False,False,False,True,'',False],
     3446            limits=[['0','1/2','-1/2','1/3','-1/3','2/3','1'],['0','1/2','1/3','2/3','1'],['0','1/2','3/2','1/3','2/3','1'],[True,False],[True,False],[True,False],[True,False],testAtoms,[True,False]],
     3447            formats=['choice','choice','choice','bool','bool','bool','bool','choice','bool'])
    34483448        if dlg.ShowModal() == wx.ID_OK:
    34493449            magcells = []
     
    34553455            keepaxes = newVals[6]
    34563456            atype = newVals[7]
     3457            allmom = newVals[8]
    34573458            magAtms = [atom for atom in controls[14] if atom[1] == atype]
    34583459            wx.BeginBusyCursor()
     
    34853486                phase['Cell'] = G2lat.TransformCell(controls[6:12],Trans)   
    34863487                phase['aType'] = atype
     3488                found = False
    34873489                for matm in magAtms:
    34883490                    xyzs = G2spc.GenAtom(matm[3:6],SGData,False,Move=True)
     
    34933495                        if any(CSI[0]):     #found one - can quit looking
    34943496                            phase['Keep'] = True
    3495                             break
    3496                     if phase['Keep']:   #found one
     3497                        if allmom:
     3498                            if not any(CSI[0]):
     3499                                phase['Keep'] = False
     3500                                found = True
     3501                                break
     3502                    if found:   #found one
    34973503                        break
    34983504                magcells.append(phase)
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