r22523 - /branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/base_script.py -- March 25, 2014 - 08:51

Author: bugman
Date: Tue Mar 25 08:51:56 2014
New Revision: 22523

URL: http://svn.gna.org/viewcvs/relax?rev=22523&view=rev
Log:
Fixes for the rotor axis alpha angle conversion in the CaM frame order system 
test base script.

The pivot point is not the point on the rotor axis closest to the reference 
point (the CoM).
Therefore the closest point is now calculated from the pivot point on the 
axis and the axis vector.
This closest point is needed for defining the new minimal parameter set for 
the rotor models.


Modified:
    
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/base_script.py

Modified: 
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/base_script.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/base_script.py?rev=22523&r1=22522&r2=22523&view=diff
==============================================================================
--- 
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/base_script.py
        (original)
+++ 
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/base_script.py
        Tue Mar 25 08:51:56 2014
@@ -30,6 +30,7 @@
 # relax module imports.
 from data_store import Relax_data_store; ds = Relax_data_store()
 from lib.geometry.coord_transform import spherical_to_cartesian
+from lib.geometry.lines import closest_point_ax
 from lib.geometry.rotations import euler_to_R_zyz, reverse_euler_zyz
 from lib.geometry.vectors import vector_angle
 from status import Status; status = Status()
@@ -130,8 +131,15 @@
         @rtype:         float
         """
 
-        # The CoM-pivot unit vector.
-        piv_com = com - pivot
+        # The axis.
+        axis = zeros(3, float64)
+        spherical_to_cartesian([1.0, theta, phi], axis)
+
+        # The closest point on the line to the CoM (shift the pivot).
+        new_piv = closest_point_ax(line_pt=pivot, axis=axis, point=com)
+
+        # The CoM-pivot unit vector (for the shifted pivot).
+        piv_com = com - new_piv
         piv_com = piv_com / norm(piv_com)
 
         # The vector perpendicular to the CoM-pivot vector.
@@ -139,12 +147,8 @@
         perp_vect = cross(piv_com, z_axis)
         perp_vect = perp_vect / norm(perp_vect)
 
-        # The axis.
-        axis = zeros(3, float64)
-        spherical_to_cartesian([1.0, theta, phi], axis)
-
         # The alpha angle (the angle between the perpendicular vector and 
the axis).
-        alpha = vector_angle(perp_vect, axis, piv_com)
+        alpha = vector_angle(axis, perp_vect, piv_com)
 
         # Return the axis alpha angle.
         return alpha