fix to application of wtFactor for HKLF

more deformation stuff

Author: vondreele

GSASII/GSASIIphsGUI2.py

@@ -207,15 +207,15 @@ def OnRadFxn(event):
         wx.CallAfter(UpdateDeformation,G2frame,data,dId)
 
     def MakeUVmat(defData,U,V):
-        MX = U
+        MX = U/nl.norm(U)
         if 'A' in defData['MUV']:
-            MY = V
+            MY = V/nl.norm(V)
             MZ = np.cross(MX,MY)
             MZ /= nl.norm(MZ)
             MY = np.cross(MZ,MX)
             MY /= nl.norm(MY)
         else:
-            MZ = V
+            MZ = V/nl.norm(V)
             MY = np.cross(MZ,MX)
             MY /= nl.norm(MY)
             MZ = np.cross(MX,MY)

GSASII/GSASIIplot.py

@@ -7364,6 +7364,7 @@ def Draw(caller='',Fade=[],NPkey=False):
                             SHC = {item.replace('D','C'):SHC[item] for item in SHC if item not in ['Ne','kappa']}
                             SGC = G2lat.CrysM2CartM(Amat,Bmat,SGM)
                             UVMat = np.inner(defCtrls['UVmat'],SGC)
+                            print(atom[ct-1],atom[cs-1],'\n',UVMat,'\n',SGC)
                             Npsi,Ngam = 90,45 
                             PSI,GAM = np.mgrid[0:Npsi,0:Ngam]   #[azm,pol]
                             PSI = PSI.flatten()*360./Npsi  #azimuth 0-360 incl

GSASII/GSASIIstrMath.py

@@ -4689,10 +4689,10 @@ def dervRefine(values,HistoPhases,parmDict,histDict1,varylist,calcControls,pawle
         else:
             continue        #skip non-histogram entries
         if First:
-            dMdV = np.sqrt(wtFactor)*dMdvh
+            dMdV = wtFactor*dMdvh
             First = False
         else:
-            dMdV = np.concatenate((dMdV.T,np.sqrt(wtFactor)*dMdvh.T)).T
+            dMdV = np.concatenate((dMdV.T,wtFactor*dMdvh.T)).T
 
     GetFobsSq(Histograms,Phases,parmDict,calcControls)
     pNames,pVals,pWt,pWsum,pWnum = penaltyFxn(HistoPhases,calcControls,parmDict,varylist)
@@ -4797,6 +4797,7 @@ def HessRefine(values,HistoPhases,parmDict,histDict1,varylist,calcControls,pawle
             hId = Histogram['hId']
             hfx = ':%d:'%(Histogram['hId'])
             wtFactor = calcControls[hfx+'wtFactor']
+            wdf *= wtFactor
             # now process derivatives in constraints
             G2mv.Dict2Deriv(varylist,depDerivDict,dMdvh)
 #            print 'matrix build time: %.3f'%(time.time()-time0)
@@ -4813,11 +4814,11 @@ def HessRefine(values,HistoPhases,parmDict,histDict1,varylist,calcControls,pawle
                     raise G2obj.G2RefineCancel('Cancel pressed')
                 #dlg.Raise()
             if len(Hess):
-                Vec += wtFactor*np.sum(dMdvh*wdf,axis=1)
-                Hess += wtFactor*np.inner(dMdvh,dMdvh)
+                Vec += np.sum(dMdvh*wdf,axis=1)
+                Hess += np.inner(dMdvh,dMdvh)
             else:
-                Vec = wtFactor*np.sum(dMdvh*wdf,axis=1)
-                Hess = wtFactor*np.inner(dMdvh,dMdvh)
+                Vec = np.sum(dMdvh*wdf,axis=1)
+                Hess = np.inner(dMdvh,dMdvh)
         else:
             continue        #skip non-histogram entries
     GetFobsSq(Histograms,Phases,parmDict,calcControls)