Author: bugman Date: Sun Nov 2 22:14:38 2014 New Revision: 26411 URL: http://svn.gna.org/viewcvs/relax?rev=26411&view=rev Log: Created the Grace graphs for the 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_rotor_axis2_1_3_theta_z_calc.agr branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_rotor_in_frame_theta_z_calc.agr branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_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_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_rotor_axis2_1_3_theta_z_calc.agr?rev=26411&r1=26410&r2=26411&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_rotor_axis2_1_3_theta_z_calc.agr (original) +++ branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_rotor_axis2_1_3_theta_z_calc.agr Sun Nov 2 22:14:38 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 0.999988095298 +10.0 0.996379121461 +20.0 0.985582525751 +30.0 0.967806898965 +40.0 0.943375306399 +50.0 0.912730193002 +60.0 0.876423816523 +70.0 0.835106338884 +80.0 0.789511856066 +90.0 0.740442694548 +100.0 0.688752341995 +110.0 0.635327410459 +120.0 0.581069051119 +130.0 0.526874250056 +140.0 0.473617434481 +150.0 0.422132808364 +160.0 0.373197815719 +170.0 0.327518099582 +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 2.38094047614e-06 +10.0 0.000724175707814 +20.0 0.00288349484985 +30.0 0.00643862020695 +40.0 0.0113249387202 +50.0 0.0174539613995 +60.0 0.0247152366953 +70.0 0.0329787322232 +80.0 0.0420976287869 +90.0 0.0519114610903 +100.0 0.0622495316009 +110.0 0.0729345179083 +120.0 0.0837861897762 +130.0 0.0946251499888 +140.0 0.105276513104 +150.0 0.115573438327 +160.0 0.125360436856 +170.0 0.134496380084 +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 7.14282142855e-06 +10.0 0.00217252712344 +20.0 0.00865048454956 +30.0 0.0193158606208 +40.0 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@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 0.999984523887 +10.0 0.995292857899 +20.0 0.981257283476 +30.0 0.958148968655 +40.0 0.926387898319 +50.0 0.886549250903 +60.0 0.83935096148 +70.0 0.785638240549 +80.0 0.726365412885 +90.0 0.662575502913 +100.0 0.595378044594 +110.0 0.525925633596 +120.0 0.455389766454 +130.0 0.384936525073 +140.0 0.315702664826 +150.0 0.248772650874 +160.0 0.185157160434 +170.0 0.125773529456 +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 3.57141071436e-06 +10.0 0.00108626356172 +20.0 0.00432524227478 +30.0 0.00965793031042 +40.0 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branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_rotor_in_frame_theta_z_calc.agr Sun Nov 2 22:14:38 2014 @@ -37,25 +37,25 @@ @ 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 0.999983333417 +10.0 0.994930770045 +20.0 0.979815536051 +30.0 0.954929658551 +40.0 0.920725428959 +50.0 0.877822270203 +60.0 0.826993343133 +70.0 0.769148874437 +80.0 0.705316598492 +90.0 0.636619772368 +100.0 0.564253278794 +110.0 0.489458374642 +120.0 0.413496671566 +130.0 0.337623950078 +140.0 0.263064408274 +150.0 0.19098593171 +160.0 0.122476942006 +170.0 0.0585253394144 +180.0 3.89817183252e-17 & @target G0.S1 @type xy @@ -125,25 +125,25 @@ & @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 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+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_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_rotor_out_of_frame_theta_z_calc.agr?rev=26411&r1=26410&r2=26411&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_rotor_out_of_frame_theta_z_calc.agr (original) +++ branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/Sij_rotor_out_of_frame_theta_z_calc.agr Sun Nov 2 22:14:38 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 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0.0 -170.0 0.0 -180.0 0.0 +0.572957795131 -3.70368518526e-06 +10.0 -0.00112649554549 +20.0 -0.00448543643311 +30.0 -0.010015631433 +40.0 -0.0176165713425 +50.0 -0.0271506066215 +60.0 -0.0384459237483 +70.0 -0.051300250125 +80.0 -0.0654852003351 +90.0 -0.0807511616961 +100.0 -0.0968326047125 +110.0 -0.113453694524 +120.0 -0.130334072985 +130.0 -0.14719467776 +140.0 -0.163763464828 +150.0 -0.179780904064 +160.0 -0.195005123999 +170.0 -0.209216591241 +180.0 -0.222222222222 & @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 0.999985185259 +10.0 0.995494017818 +20.0 0.982058254268 +30.0 0.959937474268 +40.0 0.92953371463 +50.0 0.891397573514 +60.0 0.846216305007 +70.0 0.7947989995 +80.0 0.73805919866 +90.0 0.676995353216 +100.0 0.61266958115 +110.0 0.546185221904 +120.0 0.478663708059 +130.0 0.411221288958 +140.0 0.344946140688 +150.0 0.280876383742 +160.0 0.219979504006 +170.0 0.163133635035 +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 -3.70368518526e-06 +10.0 -0.00112649554549 +20.0 -0.00448543643311 +30.0 -0.010015631433 +40.0 -0.0176165713425 +50.0 -0.0271506066215 +60.0 -0.0384459237483 +70.0 -0.051300250125 +80.0 -0.0654852003351 +90.0 -0.0807511616961 +100.0 -0.0968326047125 +110.0 -0.113453694524 +120.0 -0.130334072985 +130.0 -0.14719467776 +140.0 -0.163763464828 +150.0 -0.179780904064 +160.0 -0.195005123999 +170.0 -0.209216591241 +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 7.40737037053e-06 +10.0 0.00225299109098 +20.0 0.00897087286621 +30.0 0.0200312628661 +40.0 0.0352331426851 +50.0 0.054301213243 +60.0 0.0768918474966 +70.0 0.10260050025 +80.0 0.13097040067 +90.0 0.161502323392 +100.0 0.193665209425 +110.0 0.226907389048 +120.0 0.260668145971 +130.0 0.294389355521 +140.0 0.327526929656 +150.0 0.359561808129 +160.0 0.390010247997 +170.0 0.418433182482 +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 -3.70368518526e-06 +10.0 -0.00112649554549 +20.0 -0.00448543643311 +30.0 -0.010015631433 +40.0 -0.0176165713425 +50.0 -0.0271506066215 +60.0 -0.0384459237483 +70.0 -0.051300250125 +80.0 -0.0654852003351 +90.0 -0.0807511616961 +100.0 -0.0968326047125 +110.0 -0.113453694524 +120.0 -0.130334072985 +130.0 -0.14719467776 +140.0 -0.163763464828 +150.0 -0.179780904064 +160.0 -0.195005123999 +170.0 -0.209216591241 +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 0.999990740787 +10.0 0.997183761136 +20.0 0.988786408917 +30.0 0.974960921417 +40.0 0.955958571644 +50.0 0.932123483446 +60.0 0.903885190629 +70.0 0.871749374687 +80.0 0.836286999162 +90.0 0.79812209576 +100.0 0.757918488219 +110.0 0.71636576369 +120.0 0.674164817537 +130.0 0.632013305599 +140.0 0.59059133793 +150.0 0.550547739839 +160.0 0.512487190004 +170.0 0.476958521897 +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=26411&r1=26410&r2=26411&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 22:14:38 2014 @@ -119,7 +119,7 @@ # Calculate the frame order matrices. if model == 'rotor': - #self.first_frame_order[i] = rotor.compile_1st_matrix_rotor(self.first_frame_order[i], self.eigenframe, theta_z) + 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)