Changeset 2076

Timestamp:

Dec 1, 2015 4:06:06 PM (6 years ago)

Author:

vondreele

Message:

fix TOF bugs in G2index & SStructureFactor

Location:

trunk

Files:

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

trunk/GSASIIindex.py

@@ -300 +300 @@
         return chi
 
-    if 'C' in Inst['Type'][0]:
+    if 'T' in Inst['Type'][0]:
+        difC = Inst['difC'][1]
+    else:
         wave = G2mth.getWave(Inst)
-    else:
-        difC = Inst['difC'][1]
     SGData = G2spc.SpcGroup(controls[13])[1]
     SSGData = G2spc.SSpcGroup(SGData,ssopt['ssSymb'])[1]
@@ -317 +317 @@
     dmin = getDmin(peaks)-0.005
     Peaks = np.copy(np.array(peaks).T)
-    if 'C' in Inst['Type'][0]:    
+    if 'T' in Inst['Type'][0]:    
+        result = so.brute(TSSfunc,ranges,finish=so.fmin_cg,
+            args=(peaks,dmin,Inst,SGData,SSGData,ssopt['ModVec'],Vref,ssopt['maxH'],A,difC,Z,dlg))
+    else:
         result = so.brute(ZSSfunc,ranges,finish=so.fmin_cg,
             args=(peaks,dmin,Inst,SGData,SSGData,ssopt['ModVec'],Vref,ssopt['maxH'],A,wave,Z,dlg))
-    else:
-        result = so.brute(TSSfunc,ranges,finish=so.fmin_cg,
-            args=(peaks,dmin,Inst,SGData,SSGData,ssopt['ModVec'],Vref,ssopt['maxH'],A,difC,Z,dlg))
     return Val2Vec(ssopt['ModVec'],Vref,result)
                 

trunk/GSASIIstrMath.py

@@ -999 +999 @@
     if 'NC' in calcControls[hfx+'histType']:
         FP,FPP = G2el.BlenResCW(Tdata,BLtables,parmDict[hfx+'Lam'])
-    else:
+    elif 'X' in calcControls[hfx+'histType']:
         FP = np.array([FFtables[El][hfx+'FP'] for El in Tdata])
         FPP = np.array([FFtables[El][hfx+'FPP'] for El in Tdata])