Changeset 1581 for trunk/GSASIIindex.py

Timestamp:

Nov 24, 2014 9:27:52 AM (8 years ago)

Author:

vondreele

Message:

fix problem editing R3cR lattice parameters - incorrect angle index
begin GUI for modulation vector search

File:

• trunk/GSASIIindex.py (modified) (2 diffs)

trunk/GSASIIindex.py

@@ -386 +386 @@
     else:
         Nskip = 6
+    Vec = []
     i = 0
-    for v,r in zip(vec,Vref):
+    for j,r in enumerate(Vref):
         if r:
-            v = val[i+Nskip]
+            Vec.append(val[i+Nskip])
             i += 1
-    return np.array(vec)  
+        else:
+            Vec.append(vec[j])
+    return np.array(Vec)  
 
 def FitHKL(ibrav,peaks,A,Pwr):
@@ -456 +459 @@
     if Zref:
         values.append(Z)
-    result = so.leastsq(errFit,values,full_output=True,ftol=0.0001,factor=0.001,
+    result = so.leastsq(errFit,values,full_output=True,ftol=1.e-6,factor=1.,
         args=(ibrav,Peaks[8],Peaks[4:8],Peaks[0],wave,V,Vref,Zref,Pwr))
     A = Values2A(ibrav,result[0])