r11504 - /1.3/maths_fns/order_parameters.py -- August 12, 2010 - 18:19

Author: bugman
Date: Thu Aug 12 18:19:53 2010
New Revision: 11504

URL: http://svn.gna.org/viewcvs/relax?rev=11504&view=rev
Log:
Added a catch in iso_cone_S_to_theta() for bad order parameters > 1.

Now the function will return a cone angle of zero.  Simplex optimisation will 
set S > 1.


Modified:
    1.3/maths_fns/order_parameters.py

Modified: 1.3/maths_fns/order_parameters.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/maths_fns/order_parameters.py?rev=11504&r1=11503&r2=11504&view=diff
==============================================================================
--- 1.3/maths_fns/order_parameters.py (original)
+++ 1.3/maths_fns/order_parameters.py Thu Aug 12 18:19:53 2010
@@ -68,6 +68,10 @@
     @rtype:     float
     """
 
+    # Catch bad order parameters.
+    if S > 1.0:
+        return 0.0
+
     # Convert.
     theta = acos(0.5*(sqrt(8.0*S + 1) - 1))