Author: bugman Date: Wed Aug 4 10:53:17 2010 New Revision: 11400 URL: http://svn.gna.org/viewcvs/relax?rev=11400&view=rev Log: Renamed to isotropic cone functions to the free rotor isotropic cone. The model name has changed, as the torsion angle was unrestricted in the earlier code. Modified: 1.3/maths_fns/frame_order.py 1.3/maths_fns/frame_order_matrix_ops.py Modified: 1.3/maths_fns/frame_order.py URL: http://svn.gna.org/viewcvs/relax/1.3/maths_fns/frame_order.py?rev=11400&r1=11399&r2=11400&view=diff ============================================================================== --- 1.3/maths_fns/frame_order.py (original) +++ 1.3/maths_fns/frame_order.py Wed Aug 4 10:53:17 2010 @@ -31,7 +31,7 @@ from generic_fns.frame_order import print_frame_order_2nd_degree from maths_fns.alignment_tensor import to_5D, to_tensor from maths_fns.chi2 import chi2 -from maths_fns.frame_order_matrix_ops import compile_2nd_matrix_iso_cone, compile_2nd_matrix_pseudo_ellipse, compile_2nd_matrix_pseudo_ellipse_free_rotor, compile_2nd_matrix_pseudo_ellipse_torsionless, reduce_alignment_tensor +from maths_fns.frame_order_matrix_ops import compile_2nd_matrix_iso_cone_free_rotor, compile_2nd_matrix_pseudo_ellipse, compile_2nd_matrix_pseudo_ellipse_free_rotor, compile_2nd_matrix_pseudo_ellipse_torsionless, reduce_alignment_tensor from maths_fns.rotation_matrix import euler_to_R_zyz as euler_to_R from relax_errors import RelaxError @@ -223,7 +223,7 @@ ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_s1 = params # Generate the 2nd degree Frame Order super matrix. - frame_order_2nd = compile_2nd_matrix_iso_cone(self.frame_order_2nd, self.rot, self.z_axis, self.cone_axis, axis_theta, axis_phi, cone_s1) + frame_order_2nd = compile_2nd_matrix_iso_cone_free_rotor(self.frame_order_2nd, self.rot, self.z_axis, self.cone_axis, axis_theta, axis_phi, cone_s1) # Reduce and rotate the tensors. self.reduce_and_rot(0.0, ave_pos_beta, ave_pos_gamma, frame_order_2nd) Modified: 1.3/maths_fns/frame_order_matrix_ops.py URL: http://svn.gna.org/viewcvs/relax/1.3/maths_fns/frame_order_matrix_ops.py?rev=11400&r1=11399&r2=11400&view=diff ============================================================================== --- 1.3/maths_fns/frame_order_matrix_ops.py (original) +++ 1.3/maths_fns/frame_order_matrix_ops.py Wed Aug 4 10:53:17 2010 @@ -59,8 +59,8 @@ matrix[2, 2] = fact * quad(part_int_daeg1_pseudo_ellipse_zz, -pi, pi, args=(theta_x, theta_y, sigma_max), full_output=1)[0] -def compile_2nd_matrix_iso_cone(matrix, R, z_axis, cone_axis, theta_axis, phi_axis, s1): - """Generate the rotated 2nd degree Frame Order matrix. +def compile_2nd_matrix_iso_cone_free_rotor(matrix, R, z_axis, cone_axis, theta_axis, phi_axis, s1): + """Generate the rotated 2nd degree Frame Order matrix for the free rotor isotropic cone. The cone axis is assumed to be parallel to the z-axis in the eigenframe. In this model, the three order parameters are defined as:: @@ -88,7 +88,7 @@ generate_vector(cone_axis, theta_axis, phi_axis) # Populate the Frame Order matrix in the eigenframe. - populate_2nd_eigenframe_iso_cone(matrix, s1) + populate_2nd_eigenframe_iso_cone_free_rotor(matrix, s1) # Average position rotation. two_vect_to_R(z_axis, cone_axis, R) @@ -1048,8 +1048,8 @@ matrix[2, 2] = (cos(angle) + 1.0) / 2.0 -def populate_2nd_eigenframe_iso_cone(matrix, s1): - """Populate the 2nd degree Frame Order matrix in the eigenframe for an isotropic cone. +def populate_2nd_eigenframe_iso_cone_free_rotor(matrix, s1): + """Populate the 2nd degree Frame Order matrix in the eigenframe for the free rotor isotropic cone. The cone axis is assumed to be parallel to the z-axis in the eigenframe. In this model, the three order parameters are defined as::