Changeset 1637 for trunk/GSASIIpwdGUI.py


Ignore:
Timestamp:
Feb 6, 2015 3:09:50 PM (8 years ago)
Author:
vondreele
Message:

fixes to peak indexing routines; new Inst argument for getHKLpeak messed up indexing routines. Now optional at end of arguments.
some more work on SS constraints.

File:
1 edited

Legend:

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Removed
  • trunk/GSASIIpwdGUI.py

    r1633 r1637  
    23962396        else:
    23972397            dmin = peaks[0][-1][7]
    2398             G2frame.HKL = G2pwd.getHKLpeak(dmin,Inst,SGData,A)
     2398            G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst)
    23992399            peaks = [G2indx.IndexPeaks(peaks[0],G2frame.HKL)[1],peaks[1]]   #keep esds from peak fit
    24002400            M20,X20 = G2indx.calc_M20(peaks[0],G2frame.HKL)
     
    24782478                    G2indx.refinePeaksZSS(peaks[0],wave,Inst,SGData,SSGData,ssopt['maxH'],ibrav,A,ssopt['ModVec'],vecFlags,controls[1],controls[0])
    24792479            else:
    2480                 G2frame.HKL = G2pwd.getHKLpeak(dmin,Inst,SGData,A)
     2480                G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst)
    24812481                peaks = [G2indx.IndexPeaks(peaks[0],G2frame.HKL)[1],peaks[1]]   #put peak fit esds back in peaks
    24822482                Lhkl,M20,X20,Aref,Zero = G2indx.refinePeaksZ(peaks[0],wave,ibrav,A,controls[1],controls[0])
    24832483        else:   #'T'OF - doesn't seem to work
    2484             G2frame.HKL = G2pwd.getHKLpeak(dmin,Inst,SGData,A)
     2484            G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst)
    24852485            peaks = [G2indx.IndexPeaks(peaks[0],G2frame.HKL)[1],peaks[1]]   #put peak fit esds back in peaks
    24862486            Lhkl,M20,X20,Aref,Zero = G2indx.refinePeaksT(peaks[0],difC,ibrav,A,controls[1],controls[0])           
     
    24962496            G2frame.HKL = G2pwd.getHKLMpeak(dmin,Inst,SGData,SSGData,ssopt['ModVec'],ssopt['maxH'],A)
    24972497        else:
    2498             G2frame.HKL = G2pwd.getHKLpeak(dmin,Inst,SGData,A)
     2498            G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst)
    24992499        data = [controls,bravais,cells,dmin,ssopt]
    25002500        G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Unit Cells List'),data)
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