r23978 - /branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py -- June 16, 2014 - 17:30

Author: bugman
Date: Mon Jun 16 17:30:30 2014
New Revision: 23978

URL: http://svn.gna.org/viewcvs/relax?rev=23978&view=rev
Log:
Fix for the frame order matrix calculation for a pseudo-elliptic cone with 
angles of zero degrees.

The 
lib.frame_order.pseudo_ellipse_torsionless.compile_2nd_matrix_pseudo_ellipse_torsionless()
function has been changed to prevent a divide by zero failure.  The surface 
area normalisation
factor now defaults to 0.0.


Modified:
    branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py

Modified: 
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py?rev=23978&r1=23977&r2=23978&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py  
(original)
+++ 
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py  
Mon Jun 16 17:30:30 2014
@@ -50,7 +50,10 @@
     """
 
     # The surface area normalisation factor.
-    fact = 1.0 / (6.0 * pec(theta_x, theta_y))
+    if theta_y == 0.0:
+        fact = 0.0
+    else:
+        fact = 1.0 / (6.0 * pec(theta_x, theta_y))
 
     # Diagonal.
     matrix[0, 0] = fact * (6.0*pi + 
quad(part_int_daeg2_pseudo_ellipse_torsionless_00, -pi, pi, args=(theta_x, 
theta_y), full_output=1)[0])