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
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