Changeset 3234 for trunk/testSSymbols.py


Ignore:
Timestamp:
Jan 19, 2018 12:11:54 PM (4 years ago)
Author:
vondreele
Message:

new G2spc.SSChoice routine finds all allowed super space group symbols for a given space group.
Installed to drive ss symbol choices. Simplifies SSpcGroup.
Fix python 3 bug in covariance plot routine

File:
1 edited

Legend:

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Added
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  • trunk/testSSymbols.py

    r3227 r3234  
    5353       
    5454        def OnExhaustive(event):
    55             laue = Data['SGData']['SGLaue']
    56             good = []
    57             if laue in ['2/m','mmm']:
    58                 SSList = []
    59                 for ax in laueSS[laue]:
    60                     for sx in laueTS[laue]:
    61                         SSList.append(ax+sx)               
    62             else:
    63                 latt = Data['SGData']['SGLatt']+Data['SGData']['SGPtGrp']
    64                 SSList = G2spc.ptssdict.get(latt,['',])
    65             for SSymbol in SSList:
    66                 E,SSGData = G2spc.SSpcGroup(Data['SGData'],SSymbol)
    67                 if SSGData:
    68                     good.append(SSymbol)
    69                     text,table = G2spc.SSGPrint(Data['SGData'],SSGData)
    70                     Data['SSGData'] = SSGData
    71                     Data['SuperSg'] = SSymbol
    72                     msg = 'Superspace Group Information'
    73 #                    G2G.SGMessageBox(self,msg,text,table).Show()
    74 #                else:
    75 #                    msg = 'Superspace Group Error for'+SSymbol
    76 #                    Style = wx.ICON_EXCLAMATION
    77 #                    Text = '\n'+E
    78 #                    wx.MessageBox(Text,caption=msg,style=Style)
    79             print(good)           
     55            SSList = G2spc.SSChoice(Data['SGData'])
     56            print(SSList)           
    8057       
    8158        def OnSpaceGroup(event):
     
    10380                msg = 'Space Group Information'
    10481                G2G.SGMessageBox(self,msg,text,table).Show()
    105             latt = Data['SGData']['SGLatt']+Data['SGData']['SGPtGrp']
    106             SSChoice = G2spc.ptssdict.get(latt,['',])
     82            SSChoice = G2spc.SSChoice(Data['SGData'])
    10783            Data['SuperSg'] = SSChoice[0]
    10884            self.UpdateData(Data)
     
    143119        mainSizer.Add(SGTxt,0,WACV)
    144120        mainSizer.Add(wx.StaticText(self.testSSPanel,label=' Superspace group: '+Data['SGData']['SpGrp']),0,WACV)
    145         latt = Data['SGData']['SGLatt']+Data['SGData']['SGPtGrp']
    146         SSChoice = G2spc.ptssdict.get(latt,['',])
    147         ssChoice = []
    148         for item in SSChoice:
    149             E,SSG = G2spc.SSpcGroup(SGData,item)
    150             if SSG: ssChoice.append(item)
     121        ssChoice = G2spc.SSChoice(Data['SGData'])
    151122        if ssChoice:
    152123            superGp = wx.ComboBox(self.testSSPanel,value=Data['SuperSg'],choices=ssChoice,style=wx.CB_DROPDOWN)   #wx.CB_READONLY|
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