r26472 - /branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py -- November 09, 2014 - 21:20

Author: bugman
Date: Sun Nov  9 21:20:27 2014
New Revision: 26472

URL: http://svn.gna.org/viewcvs/relax?rev=26472&view=rev
Log:
A divide by zero fix for the torsionless pseudo-ellipse.

This is in the compile_2nd_matrix_pseudo_ellipse_torsionless() relax library 
function.


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=26472&r1=26471&r2=26472&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  
Sun Nov  9 21:20:27 2014
@@ -91,8 +91,14 @@
         return rotate_daeg(matrix, Rx2_eigen)
 
     # The surface area normalisation factor.
-    fact = 1.0 / (6.0 * pec(theta_x, theta_y))
-    fact2 = 2.0 * fact
+    fact = 6.0 * pec(theta_x, theta_y)
+    fact2 = 0.5 * fact
+
+    # Invert.
+    if fact == 0.0:
+        fact = 1e100
+    else:
+        fact = 1.0 / fact
 
     # Diagonal.
     matrix[0, 0] = fact2 * (3.0*pi + 
quad(part_int_daeg2_pseudo_ellipse_torsionless_00, -pi, pi, args=(theta_x, 
theta_y), full_output=1)[0])