r26473 - /branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py -- November 09, 2014 - 21:22

Author: bugman
Date: Sun Nov  9 21:22:29 2014
New Revision: 26473

URL: http://svn.gna.org/viewcvs/relax?rev=26473&view=rev
Log:
A divide by zero fix for the free rotor pseudo-ellipse.

This is in the compile_2nd_matrix_pseudo_ellipse_free_rotor() relax library 
function.


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

Modified: 
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py?rev=26473&r1=26472&r2=26473&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py 
  (original)
+++ branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py 
  Sun Nov  9 21:22:29 2014
@@ -78,9 +78,19 @@
     """
 
     # The surface area normalisation factor.
-    fact3 = 1.0 / (3.0 * pec(theta_x, theta_y))
-    fact4 = 1.0 / (4.0 * pec(theta_x, theta_y))
-    fact6 = 1.0 / (6.0 * pec(theta_x, theta_y))
+    fact3 = 3.0 * pec(theta_x, theta_y)
+    fact4 = 4.0 * pec(theta_x, theta_y)
+    fact6 = 6.0 * pec(theta_x, theta_y)
+
+    # Invert.
+    if fact3 == 0.0:
+        fact3 = 1e100
+        fact4 = 1e100
+        fact6 = 1e100
+    else:
+        fact3 = 1.0 / fact3
+        fact4 = 1.0 / fact4
+        fact6 = 1.0 / fact6
 
     # Diagonal.
     matrix[0, 0] = fact6 * (4.0*pi - 
quad(part_int_daeg2_pseudo_ellipse_free_rotor_00, -pi, pi, args=(theta_x, 
theta_y), full_output=1)[0])