Author: bugman Date: Sun Nov 2 22:14:43 2014 New Revision: 26413 URL: http://svn.gna.org/viewcvs/relax?rev=26413&view=rev Log: Created the Grace graphs for the free rotor model 1st degree frame order matrix elements. These are the values calculated directly from the lib.frame_order modules. The graphs were previously all zeros. Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_axis2_1_3_theta_z_calc.agr branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_in_frame_theta_z_calc.agr branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_out_of_frame_theta_z_calc.agr branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_solution.py Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_axis2_1_3_theta_z_calc.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_axis2_1_3_theta_z_calc.agr?rev=26413&r1=26412&r2=26413&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_axis2_1_3_theta_z_calc.agr (original) +++ branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_axis2_1_3_theta_z_calc.agr Sun Nov 2 22:14:43 2014 @@ -37,200 +37,200 @@ @ s8 linewidth 0.5 @target G0.S0 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.285714285714 +10.0 0.285714285714 +20.0 0.285714285714 +30.0 0.285714285714 +40.0 0.285714285714 +50.0 0.285714285714 +60.0 0.285714285714 +70.0 0.285714285714 +80.0 0.285714285714 +90.0 0.285714285714 +100.0 0.285714285714 +110.0 0.285714285714 +120.0 0.285714285714 +130.0 0.285714285714 +140.0 0.285714285714 +150.0 0.285714285714 +160.0 0.285714285714 +170.0 0.285714285714 +180.0 0.285714285714 & @target G0.S1 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.142857142857 +10.0 0.142857142857 +20.0 0.142857142857 +30.0 0.142857142857 +40.0 0.142857142857 +50.0 0.142857142857 +60.0 0.142857142857 +70.0 0.142857142857 +80.0 0.142857142857 +90.0 0.142857142857 +100.0 0.142857142857 +110.0 0.142857142857 +120.0 0.142857142857 +130.0 0.142857142857 +140.0 0.142857142857 +150.0 0.142857142857 +160.0 0.142857142857 +170.0 0.142857142857 +180.0 0.142857142857 & @target G0.S2 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.428571428571 +10.0 0.428571428571 +20.0 0.428571428571 +30.0 0.428571428571 +40.0 0.428571428571 +50.0 0.428571428571 +60.0 0.428571428571 +70.0 0.428571428571 +80.0 0.428571428571 +90.0 0.428571428571 +100.0 0.428571428571 +110.0 0.428571428571 +120.0 0.428571428571 +130.0 0.428571428571 +140.0 0.428571428571 +150.0 0.428571428571 +160.0 0.428571428571 +170.0 0.428571428571 +180.0 0.428571428571 & @target G0.S3 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.142857142857 +10.0 0.142857142857 +20.0 0.142857142857 +30.0 0.142857142857 +40.0 0.142857142857 +50.0 0.142857142857 +60.0 0.142857142857 +70.0 0.142857142857 +80.0 0.142857142857 +90.0 0.142857142857 +100.0 0.142857142857 +110.0 0.142857142857 +120.0 0.142857142857 +130.0 0.142857142857 +140.0 0.142857142857 +150.0 0.142857142857 +160.0 0.142857142857 +170.0 0.142857142857 +180.0 0.142857142857 & @target G0.S4 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.0714285714286 +10.0 0.0714285714286 +20.0 0.0714285714286 +30.0 0.0714285714286 +40.0 0.0714285714286 +50.0 0.0714285714286 +60.0 0.0714285714286 +70.0 0.0714285714286 +80.0 0.0714285714286 +90.0 0.0714285714286 +100.0 0.0714285714286 +110.0 0.0714285714286 +120.0 0.0714285714286 +130.0 0.0714285714286 +140.0 0.0714285714286 +150.0 0.0714285714286 +160.0 0.0714285714286 +170.0 0.0714285714286 +180.0 0.0714285714286 & @target G0.S5 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.214285714286 +10.0 0.214285714286 +20.0 0.214285714286 +30.0 0.214285714286 +40.0 0.214285714286 +50.0 0.214285714286 +60.0 0.214285714286 +70.0 0.214285714286 +80.0 0.214285714286 +90.0 0.214285714286 +100.0 0.214285714286 +110.0 0.214285714286 +120.0 0.214285714286 +130.0 0.214285714286 +140.0 0.214285714286 +150.0 0.214285714286 +160.0 0.214285714286 +170.0 0.214285714286 +180.0 0.214285714286 & @target G0.S6 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.428571428571 +10.0 0.428571428571 +20.0 0.428571428571 +30.0 0.428571428571 +40.0 0.428571428571 +50.0 0.428571428571 +60.0 0.428571428571 +70.0 0.428571428571 +80.0 0.428571428571 +90.0 0.428571428571 +100.0 0.428571428571 +110.0 0.428571428571 +120.0 0.428571428571 +130.0 0.428571428571 +140.0 0.428571428571 +150.0 0.428571428571 +160.0 0.428571428571 +170.0 0.428571428571 +180.0 0.428571428571 & @target G0.S7 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.214285714286 +10.0 0.214285714286 +20.0 0.214285714286 +30.0 0.214285714286 +40.0 0.214285714286 +50.0 0.214285714286 +60.0 0.214285714286 +70.0 0.214285714286 +80.0 0.214285714286 +90.0 0.214285714286 +100.0 0.214285714286 +110.0 0.214285714286 +120.0 0.214285714286 +130.0 0.214285714286 +140.0 0.214285714286 +150.0 0.214285714286 +160.0 0.214285714286 +170.0 0.214285714286 +180.0 0.214285714286 & @target G0.S8 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.642857142857 +10.0 0.642857142857 +20.0 0.642857142857 +30.0 0.642857142857 +40.0 0.642857142857 +50.0 0.642857142857 +60.0 0.642857142857 +70.0 0.642857142857 +80.0 0.642857142857 +90.0 0.642857142857 +100.0 0.642857142857 +110.0 0.642857142857 +120.0 0.642857142857 +130.0 0.642857142857 +140.0 0.642857142857 +150.0 0.642857142857 +160.0 0.642857142857 +170.0 0.642857142857 +180.0 0.642857142857 & @autoscale onread none Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_in_frame_theta_z_calc.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_calc.agr?rev=26413&r1=26412&r2=26413&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_in_frame_theta_z_calc.agr (original) +++ branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_in_frame_theta_z_calc.agr Sun Nov 2 22:14:43 2014 @@ -213,24 +213,24 @@ & @target G0.S8 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 1.0 +10.0 1.0 +20.0 1.0 +30.0 1.0 +40.0 1.0 +50.0 1.0 +60.0 1.0 +70.0 1.0 +80.0 1.0 +90.0 1.0 +100.0 1.0 +110.0 1.0 +120.0 1.0 +130.0 1.0 +140.0 1.0 +150.0 1.0 +160.0 1.0 +170.0 1.0 +180.0 1.0 & @autoscale onread none Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_out_of_frame_theta_z_calc.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_calc.agr?rev=26413&r1=26412&r2=26413&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_out_of_frame_theta_z_calc.agr (original) +++ branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_free_rotor_out_of_frame_theta_z_calc.agr Sun Nov 2 22:14:43 2014 @@ -37,200 +37,200 @@ @ s8 linewidth 0.5 @target G0.S0 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.444444444444 +10.0 0.444444444444 +20.0 0.444444444444 +30.0 0.444444444444 +40.0 0.444444444444 +50.0 0.444444444444 +60.0 0.444444444444 +70.0 0.444444444444 +80.0 0.444444444444 +90.0 0.444444444444 +100.0 0.444444444444 +110.0 0.444444444444 +120.0 0.444444444444 +130.0 0.444444444444 +140.0 0.444444444444 +150.0 0.444444444444 +160.0 0.444444444444 +170.0 0.444444444444 +180.0 0.444444444444 & @target G0.S1 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 -0.222222222222 +10.0 -0.222222222222 +20.0 -0.222222222222 +30.0 -0.222222222222 +40.0 -0.222222222222 +50.0 -0.222222222222 +60.0 -0.222222222222 +70.0 -0.222222222222 +80.0 -0.222222222222 +90.0 -0.222222222222 +100.0 -0.222222222222 +110.0 -0.222222222222 +120.0 -0.222222222222 +130.0 -0.222222222222 +140.0 -0.222222222222 +150.0 -0.222222222222 +160.0 -0.222222222222 +170.0 -0.222222222222 +180.0 -0.222222222222 & @target G0.S2 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.444444444444 +10.0 0.444444444444 +20.0 0.444444444444 +30.0 0.444444444444 +40.0 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G0.S4 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.111111111111 +10.0 0.111111111111 +20.0 0.111111111111 +30.0 0.111111111111 +40.0 0.111111111111 +50.0 0.111111111111 +60.0 0.111111111111 +70.0 0.111111111111 +80.0 0.111111111111 +90.0 0.111111111111 +100.0 0.111111111111 +110.0 0.111111111111 +120.0 0.111111111111 +130.0 0.111111111111 +140.0 0.111111111111 +150.0 0.111111111111 +160.0 0.111111111111 +170.0 0.111111111111 +180.0 0.111111111111 & @target G0.S5 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 -0.222222222222 +10.0 -0.222222222222 +20.0 -0.222222222222 +30.0 -0.222222222222 +40.0 -0.222222222222 +50.0 -0.222222222222 +60.0 -0.222222222222 +70.0 -0.222222222222 +80.0 -0.222222222222 +90.0 -0.222222222222 +100.0 -0.222222222222 +110.0 -0.222222222222 +120.0 -0.222222222222 +130.0 -0.222222222222 +140.0 -0.222222222222 +150.0 -0.222222222222 +160.0 -0.222222222222 +170.0 -0.222222222222 +180.0 -0.222222222222 & @target G0.S6 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.444444444444 +10.0 0.444444444444 +20.0 0.444444444444 +30.0 0.444444444444 +40.0 0.444444444444 +50.0 0.444444444444 +60.0 0.444444444444 +70.0 0.444444444444 +80.0 0.444444444444 +90.0 0.444444444444 +100.0 0.444444444444 +110.0 0.444444444444 +120.0 0.444444444444 +130.0 0.444444444444 +140.0 0.444444444444 +150.0 0.444444444444 +160.0 0.444444444444 +170.0 0.444444444444 +180.0 0.444444444444 & @target G0.S7 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 -0.222222222222 +10.0 -0.222222222222 +20.0 -0.222222222222 +30.0 -0.222222222222 +40.0 -0.222222222222 +50.0 -0.222222222222 +60.0 -0.222222222222 +70.0 -0.222222222222 +80.0 -0.222222222222 +90.0 -0.222222222222 +100.0 -0.222222222222 +110.0 -0.222222222222 +120.0 -0.222222222222 +130.0 -0.222222222222 +140.0 -0.222222222222 +150.0 -0.222222222222 +160.0 -0.222222222222 +170.0 -0.222222222222 +180.0 -0.222222222222 & @target G0.S8 @type xy -0.572957795131 0.0 -10.0 0.0 -20.0 0.0 -30.0 0.0 -40.0 0.0 -50.0 0.0 -60.0 0.0 -70.0 0.0 -80.0 0.0 -90.0 0.0 -100.0 0.0 -110.0 0.0 -120.0 0.0 -130.0 0.0 -140.0 0.0 -150.0 0.0 -160.0 0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 0.444444444444 +10.0 0.444444444444 +20.0 0.444444444444 +30.0 0.444444444444 +40.0 0.444444444444 +50.0 0.444444444444 +60.0 0.444444444444 +70.0 0.444444444444 +80.0 0.444444444444 +90.0 0.444444444444 +100.0 0.444444444444 +110.0 0.444444444444 +120.0 0.444444444444 +130.0 0.444444444444 +140.0 0.444444444444 +150.0 0.444444444444 +160.0 0.444444444444 +170.0 0.444444444444 +180.0 0.444444444444 & @autoscale onread none Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_solution.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_solution.py?rev=26413&r1=26412&r2=26413&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_solution.py (original) +++ branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_solution.py Sun Nov 2 22:14:43 2014 @@ -122,7 +122,7 @@ self.first_frame_order[i] = rotor.compile_1st_matrix_rotor(self.first_frame_order[i], self.eigenframe, theta_z) self.second_frame_order[i] = rotor.compile_2nd_matrix_rotor(self.second_frame_order[i], Rx2_eigen, theta_z) elif model == 'free_rotor': - #self.first_frame_order[i] = free_rotor.compile_1st_matrix_free_rotor(self.first_frame_order[i], self.eigenframe) + self.first_frame_order[i] = free_rotor.compile_1st_matrix_free_rotor(self.first_frame_order[i], self.eigenframe) self.second_frame_order[i] = free_rotor.compile_2nd_matrix_free_rotor(self.second_frame_order[i], Rx2_eigen) elif model == 'iso_cone': #self.first_frame_order[i] = iso_cone.compile_1st_matrix_iso_cone(self.first_frame_order[i], self.eigenframe, theta_x, theta_z)