Author: bugman Date: Fri Jun 6 14:11:04 2014 New Revision: 23691 URL: http://svn.gna.org/viewcvs/relax?rev=23691&view=rev Log: Eliminated the free rotor psuedo-ellipse model ave_pos_alpha parameter from the target function. The average domain position alpha Euler angle has already been removed from the specific analyses code and this change brings the target function into line with these changes. Modified: branches/frame_order_cleanup/target_functions/frame_order.py Modified: branches/frame_order_cleanup/target_functions/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/target_functions/frame_order.py?rev=23691&r1=23690&r2=23691&view=diff ============================================================================== --- branches/frame_order_cleanup/target_functions/frame_order.py (original) +++ branches/frame_order_cleanup/target_functions/frame_order.py Fri Jun 6 14:11:04 2014 @@ -853,10 +853,10 @@ if self.pivot_opt: self._param_pivot = params[:3] self._translation_vector = params[3:6] - ave_pos_alpha, ave_pos_beta, ave_pos_gamma, eigen_alpha, eigen_beta, eigen_gamma, cone_theta_x, cone_theta_y = params[6:] + ave_pos_beta, ave_pos_gamma, eigen_alpha, eigen_beta, eigen_gamma, cone_theta_x, cone_theta_y = params[6:] else: self._translation_vector = params[:3] - ave_pos_alpha, ave_pos_beta, ave_pos_gamma, eigen_alpha, eigen_beta, eigen_gamma, cone_theta_x, cone_theta_y = params[3:] + ave_pos_beta, ave_pos_gamma, eigen_alpha, eigen_beta, eigen_gamma, cone_theta_x, cone_theta_y = params[3:] # Average position rotation. euler_to_R_zyz(eigen_alpha, eigen_beta, eigen_gamma, self.R_eigen) @@ -868,7 +868,7 @@ frame_order_2nd = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.frame_order_2nd, Rx2_eigen, cone_theta_x, cone_theta_y) # Reduce and rotate the tensors. - self.reduce_and_rot(ave_pos_alpha, ave_pos_beta, ave_pos_gamma, frame_order_2nd) + self.reduce_and_rot(0.0, ave_pos_beta, ave_pos_gamma, frame_order_2nd) # Pre-transpose matrices for faster calculations. RT_eigen = transpose(self.R_eigen)