r10943 - /1.3/generic_fns/angles.py -- February 25, 2010 - 15:19

Author: bugman
Date: Thu Feb 25 15:19:38 2010
New Revision: 10943

URL: http://svn.gna.org/viewcvs/relax?rev=10943&view=rev
Log:
The fold_spherical_angles() performs a second wrapping in case the angles 
shift out of the window.

Window size checks have also been added.


Modified:
    1.3/generic_fns/angles.py

Modified: 1.3/generic_fns/angles.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/angles.py?rev=10943&r1=10942&r2=10943&view=diff
==============================================================================
--- 1.3/generic_fns/angles.py (original)
+++ 1.3/generic_fns/angles.py Thu Feb 25 15:19:38 2010
@@ -112,6 +112,12 @@
     @rtype:         float
     """
 
+    # Check the bounds and window.
+    if theta_window - (theta_upper - theta_lower) > 1e-7:
+        raise RelaxError, "The theta angle lower and upper bounds [%s, %s] 
do not match the window size of %s." % (theta_lower, theta_upper, 
theta_window)
+    if phi_window - (phi_upper - phi_lower) > 1e-7:
+        raise RelaxError, "The phi angle lower and upper bounds [%s, %s] do 
not match the window size of %s." % (phi_lower, phi_upper, phi_window)
+
     # First wrap the angles.
     theta = wrap_angles(theta, theta_lower, theta_upper, theta_window)
     phi = wrap_angles(phi, phi_lower, phi_upper, phi_window)
@@ -120,6 +126,10 @@
     if phi >= phi_upper - phi_window/2.0:
         theta = pi - theta
         phi = phi - pi
+
+    # Wrap again if necessary.
+    theta = wrap_angles(theta, theta_lower, theta_upper, theta_window)
+    phi = wrap_angles(phi, phi_lower, phi_upper, phi_window)
 
     # Return the folded angles.
     return theta, phi