Author: bugman
Date: Sat Nov 1 17:00:00 2014
New Revision: 26400
URL: http://svn.gna.org/viewcvs/relax?rev=26400&view=rev
Log:
Zero values can now be handled in the pseudo-ellipse 1st degree frame order
matrix function.
This is in lib.frame_order.pseudo_ellipse.compile_1st_matrix_pseudo_ellipse().
Modified:
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py
Modified: branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py?rev=26400&r1=26399&r2=26400&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py
(original)
+++ branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py Sat Nov
1 17:00:00 2014
@@ -52,7 +52,13 @@
"""
# The surface area normalisation factor.
- fact = 1.0 / (2.0 * sigma_max * pec(theta_x, theta_y))
+ fact = 2.0 * sigma_max * pec(theta_x, theta_y)
+
+ # Invert.
+ if fact == 0.0:
+ fact = 1e100
+ else:
+ fact = 1.0 / fact
# Numerical integration of phi of each element.
matrix[0, 0] = fact * quad(part_int_daeg1_pseudo_ellipse_xx, -pi, pi,
args=(theta_x, theta_y, sigma_max), full_output=1)[0]
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-commits mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits
