Changeset 1637 for trunk/GSASIIpwdGUI.py

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:

• trunk/GSASIIpwdGUI.py (modified) (3 diffs)

trunk/GSASIIpwdGUI.py

@@ -2396 +2396 @@
         else:
             dmin = peaks[0][-1][7]
-            G2frame.HKL = G2pwd.getHKLpeak(dmin,Inst,SGData,A)
+            G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst)
             peaks = [G2indx.IndexPeaks(peaks[0],G2frame.HKL)[1],peaks[1]]   #keep esds from peak fit
             M20,X20 = G2indx.calc_M20(peaks[0],G2frame.HKL)
@@ -2478 +2478 @@
                     G2indx.refinePeaksZSS(peaks[0],wave,Inst,SGData,SSGData,ssopt['maxH'],ibrav,A,ssopt['ModVec'],vecFlags,controls[1],controls[0])
             else:
-                G2frame.HKL = G2pwd.getHKLpeak(dmin,Inst,SGData,A)
+                G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst)
                 peaks = [G2indx.IndexPeaks(peaks[0],G2frame.HKL)[1],peaks[1]]   #put peak fit esds back in peaks
                 Lhkl,M20,X20,Aref,Zero = G2indx.refinePeaksZ(peaks[0],wave,ibrav,A,controls[1],controls[0])
         else:   #'T'OF - doesn't seem to work
-            G2frame.HKL = G2pwd.getHKLpeak(dmin,Inst,SGData,A)
+            G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst)
             peaks = [G2indx.IndexPeaks(peaks[0],G2frame.HKL)[1],peaks[1]]   #put peak fit esds back in peaks
             Lhkl,M20,X20,Aref,Zero = G2indx.refinePeaksT(peaks[0],difC,ibrav,A,controls[1],controls[0])            
@@ -2496 +2496 @@
             G2frame.HKL = G2pwd.getHKLMpeak(dmin,Inst,SGData,SSGData,ssopt['ModVec'],ssopt['maxH'],A)
         else:
-            G2frame.HKL = G2pwd.getHKLpeak(dmin,Inst,SGData,A)
+            G2frame.HKL = G2pwd.getHKLpeak(dmin,SGData,A,Inst)
         data = [controls,bravais,cells,dmin,ssopt]
         G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Unit Cells List'),data)