r9463 - /1.3/specific_fns/frame_order.py -- September 03, 2009 - 19:25

Author: bugman
Date: Thu Sep  3 19:25:01 2009
New Revision: 9463

URL: http://svn.gna.org/viewcvs/relax?rev=9463&view=rev
Log:
The beta angle for the tensor rotations is now folded to be between 0 and pi.


Modified:
    1.3/specific_fns/frame_order.py

Modified: 1.3/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/frame_order.py?rev=9463&r1=9462&r2=9463&view=diff
==============================================================================
--- 1.3/specific_fns/frame_order.py (original)
+++ 1.3/specific_fns/frame_order.py Thu Sep  3 19:25:01 2009
@@ -237,6 +237,17 @@
                 cdp.theta_cone = theta_cone
 
         # Wrap the Euler angles.
+        alpha = wrap_angles(alpha, 0.0, 2.0*pi)
+        beta  = wrap_angles(beta, 0.0, 2.0*pi)
+        gamma = wrap_angles(gamma, 0.0, 2.0*pi)
+
+        # Fold beta to be between 0 and pi.
+        if beta >= pi:
+            alpha = alpha - pi
+            beta = 2*pi - beta
+            gamma = gamma - pi
+
+        # Wrap again.
         alpha = wrap_angles(alpha, 0.0, 2.0*pi)
         beta  = wrap_angles(beta, 0.0, 2.0*pi)
         gamma = wrap_angles(gamma, 0.0, 2.0*pi)