r15100 - /branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py -- December 15, 2011 - 13:27

Author: bugman
Date: Thu Dec 15 13:27:51 2011
New Revision: 15100

URL: http://svn.gna.org/viewcvs/relax?rev=15100&view=rev
Log:
Fix for the calculation of the PCS value via numerical integration for cone 
frame order models.

The surface normalisation factor sin(theta) was missing!


Modified:
    branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py

Modified: branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py?rev=15100&r1=15099&r2=15100&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py 
(original)
+++ branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py Thu Dec 
15 13:27:51 2011
@@ -1466,8 +1466,8 @@
     # The projection.
     proj = dot(vect, dot(A, vect))
 
-    # The PCS.
-    pcs = proj / length**5
+    # The PCS (with sine surface normalisation).
+    pcs = proj / length**5 * s_theta
 
     # Return the PCS value (without the PCS constant).
     return pcs
@@ -1573,8 +1573,8 @@
     # The projection.
     proj = dot(vect, dot(A, vect))
 
-    # The PCS.
-    pcs = proj / length**5
+    # The PCS (with sine surface normalisation).
+    pcs = proj / length**5 * s_theta
 
     # Return the PCS value (without the PCS constant).
     return pcs