Changeset 2858 for trunk/GSASIIstrMath.py

Timestamp:

Jun 5, 2017 9:12:03 PM (6 years ago)

Author:

vondreele

Message:

fix Pawley restraint problem
force skip of disordered residues in pdb reader - can't handle them in G2
small cleanup in SVD stuff

File:

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

trunk/GSASIIstrMath.py

@@ -437 +437 @@
                             pWnum[name] += 1
     pWsum['PWLref'] = 0.
-    pWnum[name] = 0
+    pWnum['PWLref'] = 0
     for item in varyList:
         if 'PWLref' in item and parmDict[item] < 0.:
@@ -446 +446 @@
                 pWt.append(negWt[pId])
                 pWsum['PWLref'] += negWt[pId]*(parmDict[item])**2
-                pWnum[name] += 1
+                pWnum['PWLref'] += 1
     pVals = np.array(pVals)
     pWt = np.array(pWt)         #should this be np.sqrt?