r22996 - /trunk/lib/frame_order/rotor_axis.py -- May 06, 2014 - 16:32

Author: bugman
Date: Tue May  6 16:32:49 2014
New Revision: 22996

URL: http://svn.gna.org/viewcvs/relax?rev=22996&view=rev
Log:
Changed how the rotor axis is calculated in the func_rotor() frame order 
target function.

A new set of notations is now being used to try to solve a nasty alpha angle 
parameterisation bug.

Modified:
    trunk/lib/frame_order/rotor_axis.py

Modified: trunk/lib/frame_order/rotor_axis.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/frame_order/rotor_axis.py?rev=22996&r1=22995&r2=22996&view=diff
==============================================================================
--- trunk/lib/frame_order/rotor_axis.py (original)
+++ trunk/lib/frame_order/rotor_axis.py Tue May  6 16:32:49 2014
@@ -48,12 +48,12 @@
     @rtype:         numpy rank-1 3D float64 array
     """
 
-    # The point-pivot unit vector - the norm of the system (the pivot is 
defined as the point on the axis closest to the point).
-    n = pivot - point
+    # The CoM-pivot unit vector - the norm of the system (the pivot is 
defined as the point on the axis closest to the point).
+    n = point - pivot
     n /= norm(n)
 
     # The vector perpendicular to the CoM-pivot vector and in the xy plane.
-    mu_xy = cross(n, Z_AXIS)
+    mu_xy = cross(Z_AXIS, n)
     mu_xy /= norm(mu_xy)
 
     # Rotate the vector about the CoM-pivot axis by the angle alpha.