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Molecular dynamics by NMR data analysis

Brought to you by: edauvergne, troelslinnet

Commit [r11469] Maximize Restore History

Added system tests for 5 of the frame order models.

These use synthetic alignment data (tensors) to test the model via the calc() user function. The
tests models include:
iso cone, free rotor
iso cone, free rotor (in the eigenframe)
iso cone
pseudo-ellipse, free rotor (out of frame and in the eigenframe)
pseudo-ellipse.

Authored by: bugman 2010-08-11

Browse code at this revision

Parent: [r11468]

Child: [r11470]

changed	/1.3/test_suite/system_tests/frame_order.py
added	/1.3/test_suite/system_tests/scripts/frame_order/model_calcs
added	/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/iso_cone.py
added	/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/iso_cone_free_rotor.py
added	/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/iso_cone_free_rotor_eigenframe.py
added	/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/pseudo_ellipse.py
added	/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/pseudo_ellipse_free_rotor.py
added	/1.3/test_suite/system_tests/scripts/frame_order/tensors
added	/1.3/test_suite/system_tests/scripts/frame_order/tensors/iso_cone_free_rotor_axis2_1_3_tensors_beta78.75.py
added	/1.3/test_suite/system_tests/scripts/frame_order/tensors/iso_cone_out_of_frame_theta_z_tensors_beta78.75.py
added	/1.3/test_suite/system_tests/scripts/frame_order/tensors/pseudo_ellipse_free_rotor_in_frame_theta_y_tensors_beta0.0.py
added	/1.3/test_suite/system_tests/scripts/frame_order/tensors/pseudo_ellipse_free_rotor_out_of_frame_theta_x_tensors_beta22.5.py
added	/1.3/test_suite/system_tests/scripts/frame_order/tensors/pseudo_ellipse_out_of_frame_theta_x_tensors_beta112.5.py

/1.3/test_suite/system_tests/frame_order.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/model_calcs

Directory.

/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/iso_cone.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/iso_cone_free_rotor.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/iso_cone_free_rotor_eigenframe.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/pseudo_ellipse.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/pseudo_ellipse_free_rotor.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/tensors

Directory.

/1.3/test_suite/system_tests/scripts/frame_order/tensors/iso_cone_free_rotor_axis2_1_3_tensors_beta78.75.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/tensors/iso_cone_out_of_frame_theta_z_tensors_beta78.75.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/tensors/pseudo_ellipse_free_rotor_in_frame_theta_y_tensors_beta0.0.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/tensors/pseudo_ellipse_free_rotor_out_of_frame_theta_x_tensors_beta22.5.py Diff Switch to side-by-side view