Changeset 4068

Timestamp:

Jul 19, 2019 8:19:31 AM (4 years ago)

Author:

vondreele

Message:

fix bug in CalcBack? when no background file specified

Location:

trunk

Files:

• GSASIIpwdGUI.py (modified) (1 diff)
• GSASIIstrMath.py (modified) (1 diff)

trunk/GSASIIpwdGUI.py

@@ -1635 +1635 @@
             xFin = np.searchsorted(pwddata[1][0],limits[1])
             fixBack = backData[1]['background PWDR']
-            Id = G2gd.GetGPXtreeItemId(G2frame,G2frame.root,fixBack[0])
-            fixData = G2frame.GPXtree.GetItemPyData(Id)
-            fixedBkg = {'_fixedVary':False,'_fixedMult':fixBack[1],'_fixedValues':fixData[1][1][xBeg:xFin]} 
-            try:    #typically bad grid value
+            try:    #typically bad grid value or no fixed bkg file
+                Id = G2gd.GetGPXtreeItemId(G2frame,G2frame.root,fixBack[0])
+                fixData = G2frame.GPXtree.GetItemPyData(Id)
+                fixedBkg = {'_fixedVary':False,'_fixedMult':fixBack[1],'_fixedValues':fixData[1][1][xBeg:xFin]} 
                 pwddata[1][4][xBeg:xFin] = G2pwd.getBackground('',parmDict,bakType,dataType,pwddata[1][0][xBeg:xFin],fixedBkg)[0]
             except:

trunk/GSASIIstrMath.py

@@ -1603 +1603 @@
                 fam0 = TMcorr[:,nxs,:,nxs]*GSdata[nxs,:,:,:]*cosm[:,:,:,nxs]    #Nref,Nops,Natm,Mxyz
                 fbm0 = TMcorr[:,nxs,:,nxs]*GSdata[nxs,:,:,:]*sinm[:,:,:,nxs]    
-                           
-#                famq0 = np.sum(np.sum(fam0,axis=-2),axis=-2)        #Nref,Mxyz; sum ops & atoms
-#                fbmq0 = np.sum(np.sum(fbm0,axis=-2),axis=-2)
-#                
-#                fas0 = np.sum(famq0,axis=-1)**2-np.sum(eM.T*famq0,axis=-1)**2   #mag intensity calc F^2-(e.F)^2
-#                fbs0 = np.sum(fbmq0,axis=-1)**2-np.sum(eM.T*fbmq0,axis=-1)**2
 #for modulated moments --> m != 0 reflections
             M = np.array(np.abs(H[3]),dtype=np.int)-1
         
             fam = .5*TMcorr[:,nxs,:,nxs]*np.array([np.where(M[i]>=0,(TmagB*cosm[i,:,:,nxs]-    \
-                np.sign(H[3,i])*TmagA*sinm[i,:,:,nxs]),0.) for i in range(mRef)])+fam0
+                np.sign(H[3,i])*TmagA*sinm[i,:,:,nxs]),0.) for i in range(mRef)])+fam0          #Nref,Nops,Natm,Mxyz
             
             fbm = .5*TMcorr[:,nxs,:,nxs]*np.array([np.where(M[i]>=0,(TmagB*sinm[i,:,:,nxs]+    \