Author: bugman Date: Sat Nov 8 18:38:29 2014 New Revision: 26458 URL: http://svn.gna.org/viewcvs/relax?rev=26458&view=rev Log: Added the free rotor isotropic cone model to the frame order matrix element simulation script. The generated Grace graphs containing the matrix values for 1,000,000 simulation values have been added to the repository. The self.torsion_check variable has been created to allow the inside_iso_cone() method to skip the torsion angle check when its value is False. Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_iso_cone_free_rotor_in_frame_theta_x_ens1000000.agr branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_iso_cone_free_rotor_out_of_frame_theta_x_ens1000000.agr branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_iso_cone_free_rotor_in_frame_theta_x_ens1000000.agr branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_iso_cone_free_rotor_out_of_frame_theta_x_ens1000000.agr Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py [This mail would be too long, it was shortened to contain the URLs only.] Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_iso_cone_free_rotor_in_frame_theta_x_ens1000000.agr URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_iso_cone_free_rotor_in_frame_theta_x_ens1000000.agr?rev=26458&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_iso_cone_free_rotor_out_of_frame_theta_x_ens1000000.agr URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_iso_cone_free_rotor_out_of_frame_theta_x_ens1000000.agr?rev=26458&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_iso_cone_free_rotor_in_frame_theta_x_ens1000000.agr URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_iso_cone_free_rotor_in_frame_theta_x_ens1000000.agr?rev=26458&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_iso_cone_free_rotor_out_of_frame_theta_x_ens1000000.agr URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_iso_cone_free_rotor_out_of_frame_theta_x_ens1000000.agr?rev=26458&view=auto Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py?rev=26458&r1=26457&r2=26458&view=diff