Changeset 2728

Timestamp:

Feb 28, 2017 9:28:54 AM (6 years ago)

Author:

vondreele

Message:

disable LeBail? stuff - messed up Rietveld.

Location:

trunk

Files:

• GSASIIstrIO.py (modified) (1 diff)
• GSASIIstrMath.py (modified) (2 diffs)

trunk/GSASIIstrIO.py

@@ -187 +187 @@
     Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables,MFtables,maxSSwave = \
         GetPhaseData(Phases,RestraintDict=None,rbIds=rbIds,Print=False) # generates atom symmetry constraints
-    hapVary,hapDict,controlDict = GetHistogramPhaseData(Phases,Histograms,Print=False,resetRefList=False)
+    hapVary,hapDict,controlDict = GetHistogramPhaseData(Phases,Histograms,Print=False,resetRefList=True)
     histVary,histDict,controlDict = GetHistogramData(Histograms,Print=False)
     varyList = rbVary+phaseVary+hapVary+histVary

trunk/GSASIIstrMath.py

@@ -3079 +3079 @@
         GA,GB = G2lat.Gmat2AB(G)    #Orthogonalization matricies
         Vst = np.sqrt(nl.det(G))    #V*
-        if not Phase['General'].get('doPawley') and not parmDict[phfx+'LeBail'] and len(refDict['FF']):
+        if not Phase['General'].get('doPawley'):    # and not parmDict[phfx+'LeBail'] and len(refDict['FF']):
             if im:
                 SStructureFactor(refDict,G,hfx,pfx,SGData,SSGData,calcControls,parmDict)
@@ -3254 +3254 @@
         G,g = G2lat.A2Gmat(A)       #recip & real metric tensors
         GA,GB = G2lat.Gmat2AB(G)    #Orthogonalization matricies
-        if not Phase['General'].get('doPawley')  and not parmDict[phfx+'LeBail'] and len(refDict['FF']):
+        if not Phase['General'].get('doPawley'):    #  and not parmDict[phfx+'LeBail'] and len(refDict['FF']):
             if im:
                 dFdvDict = SStructureFactorDerv(refDict,im,G,hfx,pfx,SGData,SSGData,calcControls,parmDict)