Changeset 4167


Ignore:
Timestamp:
Oct 2, 2019 11:53:10 AM (2 years ago)
Author:
vondreele
Message:

add 2nd setting warning
avoid a bug in pair distributioon plots (small angle stuff)

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r4165 r4167  
    13331333            if 'Super' not in generalData:
    13341334                generalData['Super'] = 1
    1335                 generalData['SuperVec'] = [[0.,0.,0.],False,4]
     1335                generalData['SuperVec'] = [[0.,0.,0.],False,1]
    13361336                generalData['SSGData'] = {}
    13371337            if '4DmapData' not in generalData:
     
    31913191        SGData = data['General']['SGData']
    31923192        G2frame.GetStatusBar().SetStatusText('',1)
     3193        if SGData['SpGrp'] in G2spc.spg2origins:
     3194            G2frame.GetStatusBar().SetStatusText('Warning: Atom positions must correspond to 2nd setting for the space group '+SGData['SpGrp'],1)
    31933195        if SGData['SGPolax']:
    31943196            G2frame.GetStatusBar().SetStatusText('Warning: The location of the origin is arbitrary in '+SGData['SGPolax'],1)
  • trunk/GSASIIplot.py

    r4166 r4167  
    53025302    PatternId = G2frame.PatternId
    53035303    data = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,PatternId, 'Models'))
    5304     Bins,Dbins,BinMag = data['Pair']['Distribution']
    5305     Plot.set_title('Pair Distribution')
    5306     Plot.set_xlabel(r'$R, \AA$',fontsize=14)
    5307     Plot.set_ylabel(r'$Pair\ distribution,\ P(R)$',fontsize=14)
    5308     Plot.bar(Bins-Dbins,BinMag,Dbins,facecolor='white',edgecolor='green')       #plot diameters
    5309     if 'Pair Calc' in data['Pair']:
    5310         [Rbins,Dist] = data['Pair']['Pair Calc'].T
    5311         Plot.plot(Rbins,Dist,color='r')       #plot radii
    5312     Page.canvas.draw()
     5304    if len(data['Pair']['Distribution']):
     5305        Bins,Dbins,BinMag = data['Pair']['Distribution']
     5306        Plot.set_title('Pair Distribution')
     5307        Plot.set_xlabel(r'$R, \AA$',fontsize=14)
     5308        Plot.set_ylabel(r'$Pair\ distribution,\ P(R)$',fontsize=14)
     5309        Plot.bar(Bins-Dbins,BinMag,Dbins,facecolor='white',edgecolor='green')       #plot diameters
     5310        if 'Pair Calc' in data['Pair']:
     5311            [Rbins,Dist] = data['Pair']['Pair Calc'].T
     5312            Plot.plot(Rbins,Dist,color='r')       #plot radii
     5313        Page.canvas.draw()
    53135314
    53145315################################################################################
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