r15094 - /branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py -- December 14, 2011 - 16:52

Author: bugman
Date: Wed Dec 14 16:52:26 2011
New Revision: 15094

URL: http://svn.gna.org/viewcvs/relax?rev=15094&view=rev
Log:
Bug fix for the PCS calculation for the isotropic cone frame order model.

The integration SA formula was incorrect.  This also affects the free rotor 
isotropic cone model.


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=15094&r1=15093&r2=15094&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 Wed Dec 
14 16:52:26 2011
@@ -1276,7 +1276,7 @@
     result = tplquad(pcs_pivot_motion_full, -sigma_max, sigma_max, lambda 
phi: -pi, lambda phi: pi, lambda theta, phi: 0.0, lambda theta, phi: 
theta_max, args=(r_pivot_atom, r_ln_pivot, A, R_eigen, RT_eigen, Ri_prime))
 
     # The surface area normalisation factor.
-    SA = 4.0 * pi * sigma_max * (1.0 - cos(sigma_max))
+    SA = 4.0 * pi * sigma_max * (1.0 - cos(theta_max))
 
     # Return the value.
     return c * result[0] / SA