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])
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