Changeset 3795 for trunk/GSASIIphsGUI.py


Ignore:
Timestamp:
Jan 24, 2019 12:14:33 PM (3 years ago)
Author:
vondreele
Message:

fix space group & incommensurate space group displays for mag. incomensurate cases
disable cell refine in Unit Cell List if no peaks
another shot at incommensurate mag. structure factor calc.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r3774 r3795  
    19161916                SGData = generalData['SGData']
    19171917                SpcGrp = SGData['SpGrp']
     1918                if SGData['SGGray']:
     1919                    SpcGrp += " 1'"
    19181920                SGErr,SGData = G2spc.SpcGroup(SpcGrp)
    19191921                if '_' in BNSlatt:
     
    19211923                else:
    19221924                    SGData['BNSlattsym'] = [SGData['SGLatt'],[0.,0.,0.]]
    1923                 SGData['SGSpin'] = [1,]*len(SGData['SGSpin'])
     1925                SGData['SGSpin'] = [1,]*len(SGData['SGSpin'])   #set to all black
    19241926                GenSym,GenFlg = G2spc.GetGenSym(SGData)[:2]
    19251927                SGData['GenSym'] = GenSym
     
    19581960                OprNames = G2spc.GenMagOps(SGData)[0]
    19591961            else:
    1960                 if not len(GenSym) or SGData['SGGray']:
     1962                if not len(GenSym): # or SGData['SGGray']:
    19611963                    spinSizer.Add(wx.StaticText(General,label=' No spin inversion allowed'),0,WACV)
    19621964                    OprNames,SpnFlp = G2spc.GenMagOps(SGData)                   
     
    20052007            def OnShowSOps(event):
    20062008                SSGData = generalData['SSGData']
    2007                 text,table = G2spc.SSGPrint(generalData['SGData'],SSGData)
     2009                text,table = G2spc.SSGPrint(generalData['SGData'],SSGData,True)
    20082010                msg = 'Superspace Group Information'
    20092011                G2G.SGMessageBox(General,msg,text,table).ShowModal()
     
    20732075            if SGData['SGGray']:
    20742076                SpGrp += " 1'"
     2077            if 'BNSlattsym' in SGData and '_' in SGData['BNSlattsym'][0]:
     2078                SpGrp = SGData['BNSlattsym'][0]+SpGrp[1:]
    20752079            modSizer.Add(wx.StaticText(General,label=' Superspace group: %s '%SpGrp),0,WACV)
    20762080            if not SGData['SGFixed']:
Note: See TracChangeset for help on using the changeset viewer.