Changeset 3212 for trunk/GSASIIspc.py


Ignore:
Timestamp:
Jan 4, 2018 10:29:00 AM (4 years ago)
Author:
vondreele
Message:

fix problem of missing rd.MPhase in phase imports
work on display of gray phases & other magnetic symmetry info.

File:
1 edited

Legend:

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Added
Removed
  • trunk/GSASIIspc.py

    r3211 r3212  
    15721572    Mult = len(SSGData['SSGCen'])*len(SSGData['SSGOps'])*(int(SGData['SGInv'])+1)
    15731573    SSGText = []
    1574     SSGText.append(' Superspace Group: '+SSGData['SSpGrp'])
     1574    SSgSpc = SSGData['SSpGrp']
     1575    if SGData.get('SGGray',False):
     1576        SSgSpc = SSgSpc.replace('('," 1'(")
     1577    SSGText.append(' Superspace Group: '+SSgSpc)
    15751578    CentStr = 'centrosymmetric'
    15761579    if not SGData['SGInv']:
     
    15791582        SSGText.append(' The lattice is '+CentStr+' '+SGData['SGLatt']+'-centered '+SGData['SGSys'].lower())
    15801583    else:
    1581         SSGText.append(' The superlattice is '+CentStr+' '+'primitive '+SGData['SGSys'].lower())       
     1584        SSGText.append(' The superlattice is '+CentStr+' '+'primitive '+SGData['SGSys'].lower())
    15821585    SSGText.append(' The Laue symmetry is '+SGData['SGLaue'])
    1583     SSGText.append(' The superlattice point group is '+SGData['SGPtGrp']+', '+''.join([str(i) for i in SSGData['SSGKl']]))
     1586    SGptGp = SGData['SGPtGrp']
     1587    if SGData.get('SGGray',False):
     1588        SGptGp += "1'"
     1589    SSGText.append(' The superlattice point group is '+SGptGp+', '+''.join([str(i) for i in SSGData['SSGKl']]))
    15841590    SSGText.append(' The number of superspace group generators is '+str(len(SGData['SSGKl'])))
    15851591    SSGText.append(' Multiplicity of a general site is '+str(Mult))
     
    15991605    for i,Opr in enumerate(SSGData['SSGOps']):
    16001606        SSGTable.append('(%2d) %s'%(i+1,SSMT2text(Opr)))
     1607    if SGData.get('SGGray',False):
     1608        SSGTable.append("     for 1'")
     1609        for i,Opr in enumerate(SSGData['SSGOps']):
     1610            Opr2 = [Opr[0],Opr[1]+np.array([0,0,0,.5])]
     1611            SSGTable.append('(%2d) %s'%(i+1,SSMT2text(Opr2)))
    16011612    return SSGText,SSGTable
    16021613   
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