mailr4987 - /branches/N_state_model/specific_fns/n_state_model.py


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Posted by edward on February 13, 2008 - 17:14:
Author: bugman
Date: Wed Feb 13 17:14:21 2008
New Revision: 4987

URL: http://svn.gna.org/viewcvs/relax?rev=4987&view=rev
Log:
The reduction in CoM vector length is now calculated.


Modified:
    branches/N_state_model/specific_fns/n_state_model.py

Modified: branches/N_state_model/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/specific_fns/n_state_model.py?rev=4987&r1=4986&r2=4987&view=diff
==============================================================================
--- branches/N_state_model/specific_fns/n_state_model.py (original)
+++ branches/N_state_model/specific_fns/n_state_model.py Wed Feb 13 17:14:21 
2008
@@ -140,8 +140,11 @@
         # Total weighted vector.
         cdp.red_CoM = sum(vectors)
 
+        # The length reduction.
+        len_red = norm(cdp.red_CoM)
+
         # The full length rotated CoM vector.
-        cdp.rot_CoM = norm(cdp.CoM) * cdp.red_CoM / norm(cdp.red_CoM)
+        cdp.rot_CoM = norm(cdp.CoM) * cdp.red_CoM / len_red
 
         # Print out.
         print "\nThe pivot point of the domain motions is:\n" + 
`cdp.pivot_point` + "\n"
@@ -149,6 +152,7 @@
         print "The unit vector between the pivot and CoM is:\n" + 
`unit_vect` + "\n"
         print "The reduced CoM vector is:\n" + `cdp.red_CoM` + "\n"
         print "The full length rotated CoM vector is:\n" + `cdp.rot_CoM` + 
"\n"
+        print "The length reduction is:\n" + `len_red` + "\n"
 
         raise NameError, "hello"
 




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