Author: bugman Date: Wed Sep 24 09:33:25 2014 New Revision: 25988 URL: http://svn.gna.org/viewcvs/relax?rev=25988&view=rev Log: Reverted r23200. The command used was: svn merge -r23200:23199 . This is part of restoring the SciPy quadratic integration in the frame order target functions. Although incredibly slow, this will be useful for refining the final results, especially for models whereby the number of Sobol' points collapses to zero. ..... r23200 | bugman | 2014-05-16 14:14:48 +0200 (Fri, 16 May 2014) | 5 lines Changed paths: M /branches/frame_order_cleanup/target_functions/frame_order.py Import cleanup for the frame order target functions. The Scipy quadratic integration functions for the PCS have been removed. ..... 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=25988&r1=25987&r2=25988&view=diff ============================================================================== --- branches/frame_order_cleanup/target_functions/frame_order.py (original) +++ branches/frame_order_cleanup/target_functions/frame_order.py Wed Sep 24 09:33:25 2014 @@ -38,14 +38,14 @@ from lib.frame_order.conversions import create_rotor_axis_alpha from lib.frame_order.double_rotor import compile_2nd_matrix_double_rotor, pcs_numeric_int_double_rotor from lib.frame_order.free_rotor import compile_2nd_matrix_free_rotor -from lib.frame_order.iso_cone import compile_2nd_matrix_iso_cone, pcs_numeric_int_iso_cone_qrint +from lib.frame_order.iso_cone import compile_2nd_matrix_iso_cone, pcs_numeric_int_iso_cone, pcs_numeric_int_iso_cone_qrint from lib.frame_order.iso_cone_free_rotor import compile_2nd_matrix_iso_cone_free_rotor -from lib.frame_order.iso_cone_torsionless import compile_2nd_matrix_iso_cone_torsionless, pcs_numeric_int_iso_cone_torsionless_qrint +from lib.frame_order.iso_cone_torsionless import compile_2nd_matrix_iso_cone_torsionless, pcs_numeric_int_iso_cone_torsionless, pcs_numeric_int_iso_cone_torsionless_qrint from lib.frame_order.matrix_ops import reduce_alignment_tensor -from lib.frame_order.pseudo_ellipse import compile_2nd_matrix_pseudo_ellipse, pcs_numeric_int_pseudo_ellipse_qrint +from lib.frame_order.pseudo_ellipse import compile_2nd_matrix_pseudo_ellipse, pcs_numeric_int_pseudo_ellipse, pcs_numeric_int_pseudo_ellipse_qrint from lib.frame_order.pseudo_ellipse_free_rotor import compile_2nd_matrix_pseudo_ellipse_free_rotor -from lib.frame_order.pseudo_ellipse_torsionless import compile_2nd_matrix_pseudo_ellipse_torsionless, pcs_numeric_int_pseudo_ellipse_torsionless_qrint -from lib.frame_order.rotor import compile_2nd_matrix_rotor, pcs_numeric_int_rotor_qrint +from lib.frame_order.pseudo_ellipse_torsionless import compile_2nd_matrix_pseudo_ellipse_torsionless, pcs_numeric_int_pseudo_ellipse_torsionless, pcs_numeric_int_pseudo_ellipse_torsionless_qrint +from lib.frame_order.rotor import compile_2nd_matrix_rotor, pcs_numeric_int_rotor, pcs_numeric_int_rotor_qrint from lib.frame_order.variables import MODEL_DOUBLE_ROTOR, MODEL_FREE_ROTOR, MODEL_ISO_CONE, MODEL_ISO_CONE_FREE_ROTOR, MODEL_ISO_CONE_TORSIONLESS, MODEL_PSEUDO_ELLIPSE, MODEL_PSEUDO_ELLIPSE_FREE_ROTOR, MODEL_PSEUDO_ELLIPSE_TORSIONLESS, MODEL_RIGID, MODEL_ROTOR from lib.geometry.coord_transform import spherical_to_cartesian from lib.geometry.rotations import euler_to_R_zyz, tilt_torsion_to_R, two_vect_to_R