Changeset 4651


Ignore:
Timestamp:
Nov 7, 2020 5:14:28 PM (13 months ago)
Author:
vondreele
Message:

problem with "generalized" mustrain for R3 now fixed.The S301 term should not have been present.

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIddataGUI.py

    r4594 r4651  
    193193            cell = generalData['Cell'][1:7]
    194194            vals = G2spc.Muiso2Shkl(muiso,SGData,cell)
    195             nTerm = len(UseList[item]['Mustrain'][4])
    196             for i in range(nTerm):
    197                 UseList[item]['Mustrain'][4][i] = vals[i]
     195            UseList[item]['Mustrain'][4] = vals
    198196        G2plt.PlotSizeStrainPO(G2frame,data,item)
    199197        wx.CallLater(100,RepaintHistogramInfo,DData.GetScrollPos(wx.VERTICAL))
     
    370368            UseList[G2frame.hist]['Mustrain'][5].append(False)
    371369            onumb += 1
    372         muMean = G2spc.MuShklMean(SGData,Amat,UseList[G2frame.hist]['Mustrain'][4])
     370        muMean = G2spc.MuShklMean(SGData,Amat,UseList[G2frame.hist]['Mustrain'][4][:numb])
    373371        parms = zip(Snames,UseList[G2frame.hist]['Mustrain'][5],range(numb))
    374372        dataSizer = wx.FlexGridSizer(0,6,5,5)
  • trunk/GSASIIspc.py

    r4562 r4651  
    30463046    if laue in ['m3','m3m']:
    30473047        return ['S400','S220']
    3048     elif laue in ['6/m','6/mmm','3m1']:
     3048    elif laue in ['6/m','6/mmm','3m1','3']:
    30493049        return ['S400','S004','S202']
    3050     elif laue in ['31m','3']:
     3050    elif laue in ['31m',]:
    30513051        return ['S400','S004','S202','S301']
    30523052    elif laue in ['3R','3mR']:
     
    31343134        Strm.append(h**4+k**4+l**4)
    31353135        Strm.append(3.0*((h*k)**2+(h*l)**2+(k*l)**2))
    3136     elif laue in ['6/m','6/mmm','3m1']:
     3136    elif laue in ['6/m','6/mmm','3m1','3']:
    31373137        Strm.append(h**4+k**4+2.0*k*h**3+2.0*h*k**3+3.0*(h*k)**2)
    31383138        Strm.append(l**4)
    31393139        Strm.append(3.0*((h*l)**2+(k*l)**2+h*k*l**2))
    3140     elif laue in ['31m','3']:
     3140    elif laue in ['31m',]:
    31413141        Strm.append(h**4+k**4+2.0*k*h**3+2.0*h*k**3+3.0*(h*k)**2)
    31423142        Strm.append(l**4)
     
    32413241        S0 = [1000.,1000.,1000.]
    32423242    elif laue in ['31m','3','3m1']:
    3243         S0 = [1000.,1000.,1000.,1000.]
     3243        S0 = [1000.,1000.,1000.]
    32443244    elif laue in ['3R','3mR']:
    32453245        S0 = [1000.,1000.,1000.,1000.]
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