Changeset 1922


Ignore:
Timestamp:
Jul 7, 2015 9:25:51 AM (7 years ago)
Author:
vondreele
Message:

fix 1 atom powder bug
implement merohedral twins of nonmerohedral twin members

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIddataGUI.py

    r1918 r1922  
    847847        topsizer.Add(wx.StaticText(DData,wx.ID_ANY,' Merohedral twins: '),0,WACV)
    848848        #temporary - add twin not allowed if nonmerohedral twins present
    849         if nTwin == 1 or 'bool' not in str(type(UseList[G2frame.hist]['Twins'][1][0])):
    850             addtwin = wx.CheckBox(DData,wx.ID_ANY,label=' Add Twin Law')
    851             addtwin.Bind(wx.EVT_CHECKBOX, OnAddTwin)
    852             topsizer.Add(addtwin,0,WACV)
     849#        if nTwin == 1 or 'bool' not in str(type(UseList[G2frame.hist]['Twins'][1][0])):
     850        addtwin = wx.CheckBox(DData,wx.ID_ANY,label=' Add Twin Law')
     851        addtwin.Bind(wx.EVT_CHECKBOX, OnAddTwin)
     852        topsizer.Add(addtwin,0,WACV)
    853853        twinsizer.Add(topsizer)
    854854        Indx = {}
  • trunk/GSASIIstrMath.py

    r1921 r1922  
    863863    bij = Mast*Uij.T
    864864    dFdvDict = {}
    865     dFdfr = np.squeeze(np.zeros((nRef,nTwin,mSize)))
    866     dFdx = np.squeeze(np.zeros((nRef,nTwin,mSize,3)))
    867     dFdui = np.squeeze(np.zeros((nRef,nTwin,mSize)))
    868     dFdua = np.squeeze(np.zeros((nRef,nTwin,mSize,6)))
    869     dFdbab = np.squeeze(np.zeros((nRef,nTwin,2)))
    870     dFdfl = np.squeeze(np.zeros((nRef,nTwin)))
    871     dFdtw = np.zeros((nRef,nTwin))
     865    if nTwin > 1:
     866        dFdfr = np.zeros((nRef,nTwin,mSize))
     867        dFdx = np.zeros((nRef,nTwin,mSize,3))
     868        dFdui = np.zeros((nRef,nTwin,mSize))
     869        dFdua = np.zeros((nRef,nTwin,mSize,6))
     870        dFdbab = np.zeros((nRef,nTwin,2))
     871        dFdfl = np.zeros((nRef,nTwin))
     872        dFdtw = np.zeros((nRef,nTwin))
     873    else:
     874        dFdfr = np.zeros((nRef,mSize))
     875        dFdx = np.zeros((nRef,mSize,3))
     876        dFdui = np.zeros((nRef,mSize))
     877        dFdua = np.zeros((nRef,mSize,6))
     878        dFdbab = np.zeros((nRef,2))
     879        dFdfl = np.zeros((nRef))
     880        dFdtw = np.zeros((nRef))
    872881    Flack = 1.0
    873882    if not SGData['SGInv'] and 'S' in calcControls[hfx+'histType'] and phfx+'Flack' in parmDict:
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