r6976 - /branches/rdc_analysis/maths_fns/rdc.py -- July 25, 2008 - 13:24

Author: bugman
Date: Fri Jul 25 13:24:57 2008
New Revision: 6976

URL: http://svn.gna.org/viewcvs/relax?rev=6976&view=rev
Log:
Bug fix for the ave_rdc_tensor_dDij_dAmn() function.  A numpy array cannot be 
appended to!


Modified:
    branches/rdc_analysis/maths_fns/rdc.py

Modified: branches/rdc_analysis/maths_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/maths_fns/rdc.py?rev=6976&r1=6975&r2=6976&view=diff
==============================================================================
--- branches/rdc_analysis/maths_fns/rdc.py (original)
+++ branches/rdc_analysis/maths_fns/rdc.py Fri Jul 25 13:24:57 2008
@@ -201,11 +201,16 @@
     # The populations.
     if weights == None:
         pc = 1.0 / N
-    else:
-        weights.append(1.0 - sum(weights, axis=0))
 
     # Back-calculate the RDC gradient element.
     for c in xrange(N):
+        # The weights.
+        if weights != None:
+            if c == N-1: 
+                pc = 1.0 - sum(weights, axis=0)
+            else:
+                pc = weights[c]
+
         grad = grad + pc * dot(vect[c], dot(dAi_dAmn, vect[c]))
 
     # Return the average RDC gradient element.