Author: bugman
Date: Thu Nov 6 14:07:28 2014
New Revision: 26426
URL: http://svn.gna.org/viewcvs/relax?rev=26426&view=rev
Log:
Added the free rotor model to the frame order matrix element simulation script.
The generated in-frame and out-of-frame Grace graphs containing the matrix
values for 1,000,000
simulation values have been added to the repository. The inside_free_rotor()
method has been added
to always return True for the rotation generated by rotation_z_axis().
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_in_frame_theta_z_ens1000000.agr
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_out_of_frame_theta_z_ens1000000.agr
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_free_rotor_in_frame_theta_z_ens1000000.agr
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_free_rotor_out_of_frame_theta_z_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_free_rotor_in_frame_theta_z_ens1000000.agr
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_in_frame_theta_z_ens1000000.agr?rev=26426&view=auto
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_out_of_frame_theta_z_ens1000000.agr
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_out_of_frame_theta_z_ens1000000.agr?rev=26426&view=auto
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_free_rotor_in_frame_theta_z_ens1000000.agr
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_free_rotor_in_frame_theta_z_ens1000000.agr?rev=26426&view=auto
Added:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_free_rotor_out_of_frame_theta_z_ens1000000.agr
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sijkl_free_rotor_out_of_frame_theta_z_ens1000000.agr?rev=26426&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=26426&r1=26425&r2=26426&view=diff
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