Ignore:
Timestamp:
Jun 24, 2021 4:32:34 PM (5 months ago)
Author:
vondreele
Message:

fix single crystal merge routines (missing Instrument Parameters)
add rhombohedral cases to merge(R 3, R-3, R 3 & R -3 m)
fix an unknown G2frame.PatternId? bug

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIdataGUI.py

    r4968 r4974  
    227227        MatSizer.Add(transSizer)
    228228        mainSizer.Add(MatSizer)
    229         laueClass = ['triclinic','monoclinic','orthorhombic','trigonal(H)','tetragonal','hexagonal','cubic']
     229        laueClass = ['triclinic','monoclinic','orthorhombic','trigonal(H)','trigonal(R)','tetragonal','hexagonal','cubic']
    230230        centroLaue = {'triclinic':['-1',],'monoclinic':['2/m','1 1 2/m','2/m 1 1',],
    231             'orthorhombic':['m m m',],'trigonal(H)':['-3','-3 m 1','-3 1 m',],    \
     231            'orthorhombic':['m m m',],'trigonal(H)':['-3','-3 m 1','-3 1 m',],'trigonal(R)':['-3','-3 m'],\
    232232            'tetragonal':['4/m','4/m m m',],'hexagonal':['6/m','6/m m m',],'cubic':['m 3','m 3 m']}
    233233        noncentroLaue = {'triclinic':['1',],'monoclinic':['2','2 1 1','1 1 2','m','m 1 1','1 1 m',],
    234234            'orthorhombic':['2 2 2','m m 2','m 2 m','2 m m',],
    235             'trigonal(H)':['3','3 1 2','3 2 1','3 m 1','3 1 m',],
     235            'trigonal(H)':['3','3 1 2','3 2 1','3 m 1','3 1 m',],'trigonal(R)':['3','3 m'],
    236236            'tetragonal':['4','-4','4 2 2','4 m m','-4 2 m','-4 m 2',], \
    237237            'hexagonal':['6','-6','6 2 2','6 m m','-6 m 2','-6 2 m',],'cubic':['2 3','4 3 2','-4 3 m']}
     
    70967096        newData[1]['RefList'] = mergeRef
    70977097        Id = G2frame.GPXtree.AppendItem(parent=G2frame.root,text=newName)
    7098         G2frame.GPXtree.SetItemPyData(
    7099             G2frame.GPXtree.AppendItem(Id,text='Comments'),Comments)
     7098        G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Comments'),Comments)
     7099        G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Instrument Parameters'),Inst)
     7100        G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Reflection List'),{})  #dummy entry for GUI use
    71007101        G2frame.GPXtree.SetItemPyData(Id,newData)
    7101         G2frame.GPXtree.SetItemPyData(
    7102             G2frame.GPXtree.AppendItem(Id,text='Instrument Parameters'),Inst)
    7103         G2frame.GPXtree.SetItemPyData(
    7104             G2frame.GPXtree.AppendItem(Id,text='Reflection List'),{})  #dummy entry for GUI use
    71057102                   
    71067103    def OnErrorAnalysis(event):
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