Changeset 3234 for trunk/GSASIIpwdGUI.py


Ignore:
Timestamp:
Jan 19, 2018 12:11:54 PM (5 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
Removed
  • trunk/GSASIIpwdGUI.py

    r3231 r3234  
    33303330    mainSizer.Add(littleSizer,0)
    33313331    if ssopt.get('Use',False):        #super lattice display
    3332         laueSS = {'2/m':['(a0g)','(a1/2g)','(0b0)','(1/2b0)','(0b1/2)','(1/2b1/2)'],
    3333                 'mmm':['(a00)','(a1/20)','(a01/2)','(a1/21/2)','(a10)','(a01)',
    3334                        '(0b0)','(1/2b0)','(0b1/2)','(1/2b1/2)','(1b0)','(0b1)',
    3335                        '(00g)','(1/20g)','(01/2g)','(1/21/2g)','(10g)','(01g)']}
    3336                
    3337         laueTS = {'2/m':['','s','s0','0s','ss'],
    3338                   'mmm':['000','s00','0s0','00s','ss0','s0s','0ss','q00','0q0','00q','0qq','q0q','qq0'],
    3339                   }
    33403332        indChoice = ['1','2','3','4',]
    33413333        SpSg = controls[13]
    33423334        SGData = G2spc.SpcGroup(SpSg)[1]
    3343         laue = SGData['SGLaue']
    3344         if laue in ['mmm']:
    3345             SSChoice = []
    3346             for ax in laueSS[laue]:
    3347                 for sx in laueTS[laue]:
    3348                     SSChoice.append(ax+sx)               
    3349         else:
    3350             latt = SGData['SGLatt']+SGData['SGPtGrp']
    3351             SSChoice = G2spc.ptssdict.get(latt,['',])
    3352 #        SSGptgp = SGData['SGLatt']+SGData['SGPtGrp']
    3353 #        SSChoice = G2spc.ptssdict.get(SSGptgp,[])
    3354         ssChoice = []
    3355         for item in SSChoice:
    3356             E,SSG = G2spc.SSpcGroup(SGData,item)
    3357             if SSG: ssChoice.append(item)
     3335        ssChoice = G2spc.SSChoice(SGData)
    33583336        if ssopt['ssSymb'] not in ssChoice:
    33593337            ssopt['ssSymb'] = ssChoice[0]
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