Author: bugman Date: Tue May 6 16:32:51 2014 New Revision: 22997 URL: http://svn.gna.org/viewcvs/relax?rev=22997&view=rev Log: Updated the rotor2 CaM frame order test data optimisation script for the changed notation. A new set of notations is now being used to try to solve a nasty alpha angle parameterisation bug. Modified: trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py Modified: trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py?rev=22997&r1=22996&r2=22997&view=diff ============================================================================== --- trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py (original) +++ trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py Tue May 6 16:32:51 2014 @@ -18,18 +18,17 @@ axis = zeros(3, float64) spherical_to_cartesian([1, theta, phi], axis) - # The pivot-CoM axis. - piv_com = com - pivot - piv_com /= norm(piv_com) + # The CoM-pivot axis. + com_piv = com - pivot + com_piv /= norm(com_piv) # The mu_xy vector. z_axis = array([0, 0, 1], float64) - mu_xy = cross(piv_com, z_axis) + mu_xy = cross(z_axis, com_piv) mu_xy /= norm(mu_xy) # The alpha angle. - return vector_angle(mu_xy, axis, piv_com) - #return vector_angle(axis, mu_xy, piv_com) + return vector_angle(mu_xy, axis, com_piv) def shift_pivot(pivot_orig=None, com=None, theta=None, phi=None):