mailr9009 - /branches/ave_noe/specific_fns/n_state_model.py


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Posted by edward on April 15, 2009 - 14:04:
Author: bugman
Date: Wed Apr 15 14:04:02 2009
New Revision: 9009

URL: http://svn.gna.org/viewcvs/relax?rev=9009&view=rev
Log:
Bug fix in the calc_ave_dist() method for multiple models.


Modified:
    branches/ave_noe/specific_fns/n_state_model.py

Modified: branches/ave_noe/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/ave_noe/specific_fns/n_state_model.py?rev=9009&r1=9008&r2=9009&view=diff
==============================================================================
--- branches/ave_noe/specific_fns/n_state_model.py (original)
+++ branches/ave_noe/specific_fns/n_state_model.py Wed Apr 15 14:04:02 2009
@@ -952,10 +952,11 @@
 
         # Loop over each model.
         num_models = len(spin1.pos)
+        ave_dist = 0.0
         for i in range(num_models):
             # Distance to the minus sixth power.
             dist = norm(spin1.pos[i] - spin2.pos[i])
-            ave_dist = dist**(-exp)
+            ave_dist = ave_dist + dist**(-exp)
 
         # Average.
         ave_dist = ave_dist / num_models




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