Author: bugman Date: Fri Jan 27 18:12:40 2012 New Revision: 15284 URL: http://svn.gna.org/viewcvs/relax?rev=15284&view=rev Log: Created the rest of the frame order system test scripts. Added: branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.py - copied, changed from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_torsionless.py - copied, changed from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py - copied, changed from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py - copied, changed from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_torsionless.py - copied, changed from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py Copied: branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.py (from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py) URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.py?p2=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.py&p1=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py&r1=15283&r2=15284&rev=15284&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone.py Fri Jan 27 18:12:40 2012 @@ -21,7 +21,7 @@ ############################################################################### # Module docstring. -"""Script for optimising the isotropic cone, free rotor frame order test model of CaM.""" +"""Script for optimising the isotropic cone frame order test model of CaM.""" # relax module imports. from base_script import Base_script @@ -30,13 +30,15 @@ class Analysis(Base_script): # Set up some class variables. - directory = 'iso_cone_free_rotor' - model = 'iso cone, free rotor' - ave_pos_beta = 1.1983544319568078 - ave_pos_gamma = 0.333131539777762 - axis_theta = 2.1821788938846129 - axis_phi = 0.88498745175135329 - cone_s1 = 0.91322057310490712 + directory = 'iso_cone' + model = 'iso cone' + ave_pos_alpha = 4.3434999280669997 + ave_pos_beta = 0.43544332764249905 + ave_pos_gamma = 3.8013235235956007 + axis_theta = 2.1815126749944502 + axis_phi = 0.89068285262982982 + cone_theta = 10.0 * 2.0 * pi / 360.0 + cone_sigma_max = 20.0 * 2.0 * pi / 360.0 # Execute the analysis. Copied: branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_torsionless.py (from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py) URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_torsionless.py?p2=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_torsionless.py&p1=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py&r1=15283&r2=15284&rev=15284&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_torsionless.py Fri Jan 27 18:12:40 2012 @@ -21,7 +21,7 @@ ############################################################################### # Module docstring. -"""Script for optimising the isotropic cone, free rotor frame order test model of CaM.""" +"""Script for optimising the torsionless isotropic cone frame order test model of CaM.""" # relax module imports. from base_script import Base_script @@ -30,13 +30,14 @@ class Analysis(Base_script): # Set up some class variables. - directory = 'iso_cone_free_rotor' - model = 'iso cone, free rotor' - ave_pos_beta = 1.1983544319568078 - ave_pos_gamma = 0.333131539777762 - axis_theta = 2.1821788938846129 - axis_phi = 0.88498745175135329 - cone_s1 = 0.91322057310490712 + directory = 'iso_cone_torsionless' + model = 'iso cone, torsionless' + ave_pos_alpha = 4.3434999280669997 + ave_pos_beta = 0.43544332764249905 + ave_pos_gamma = 3.8013235235956007 + axis_theta = 2.1815126749944502 + axis_phi = 4.0322755062196229 + cone_theta = 0.5 # Execute the analysis. Copied: branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py (from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py) URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py?p2=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py&p1=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py&r1=15283&r2=15284&rev=15284&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py Fri Jan 27 18:12:40 2012 @@ -21,7 +21,7 @@ ############################################################################### # Module docstring. -"""Script for optimising the isotropic cone, free rotor frame order test model of CaM.""" +"""Script for optimising the pseudo-ellipse frame order test model of CaM.""" # relax module imports. from base_script import Base_script @@ -30,13 +30,17 @@ class Analysis(Base_script): # Set up some class variables. - directory = 'iso_cone_free_rotor' - model = 'iso cone, free rotor' - ave_pos_beta = 1.1983544319568078 - ave_pos_gamma = 0.333131539777762 - axis_theta = 2.1821788938846129 - axis_phi = 0.88498745175135329 - cone_s1 = 0.91322057310490712 + directory = 'pseudo_ellipse' + model = 'pseudo-ellipse' + ave_pos_alpha = 4.3434999280669997 + ave_pos_beta = 0.43544332764249905 + ave_pos_gamma = 3.8013235235956007 + eigen_alpha = 3.1415926535897931 + eigen_beta = 0.96007997859534311 + eigen_gamma = 4.0322755062196229 + cone_theta_x = 10.0 * 2.0 * pi / 360.0 + cone_theta_y = 30.0 * 2.0 * pi / 360.0 + cone_sigma_max = 40.0 * 2.0 * pi / 360.0 # Execute the analysis. Copied: branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py (from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py) URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py?p2=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py&p1=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py&r1=15283&r2=15284&rev=15284&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py Fri Jan 27 18:12:40 2012 @@ -21,7 +21,7 @@ ############################################################################### # Module docstring. -"""Script for optimising the isotropic cone, free rotor frame order test model of CaM.""" +"""Script for optimising the free rotor pseudo-ellipse frame order test model of CaM.""" # relax module imports. from base_script import Base_script @@ -30,13 +30,16 @@ class Analysis(Base_script): # Set up some class variables. - directory = 'iso_cone_free_rotor' - model = 'iso cone, free rotor' - ave_pos_beta = 1.1983544319568078 - ave_pos_gamma = 0.333131539777762 - axis_theta = 2.1821788938846129 - axis_phi = 0.88498745175135329 - cone_s1 = 0.91322057310490712 + directory = 'pseudo_ellipse_free_rotor' + model = 'pseudo-ellipse, free rotor' + ave_pos_alpha = 4.3434999280669997 + ave_pos_beta = 0.43544332764249905 + ave_pos_gamma = 3.8013235235956007 + eigen_alpha = 3.1415926535897931 + eigen_beta = 0.96007997859534311 + eigen_gamma = 4.0322755062196229 + cone_theta_x = 0.5 + cone_theta_y = 0.1 # Execute the analysis. Copied: branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_torsionless.py (from r15283, branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py) URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_torsionless.py?p2=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_torsionless.py&p1=branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py&r1=15283&r2=15284&rev=15284&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py (original) +++ branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_torsionless.py Fri Jan 27 18:12:40 2012 @@ -21,7 +21,7 @@ ############################################################################### # Module docstring. -"""Script for optimising the isotropic cone, free rotor frame order test model of CaM.""" +"""Script for optimising the torsionless pseudo-ellipse frame order test model of CaM.""" # relax module imports. from base_script import Base_script @@ -30,13 +30,16 @@ class Analysis(Base_script): # Set up some class variables. - directory = 'iso_cone_free_rotor' - model = 'iso cone, free rotor' - ave_pos_beta = 1.1983544319568078 - ave_pos_gamma = 0.333131539777762 - axis_theta = 2.1821788938846129 - axis_phi = 0.88498745175135329 - cone_s1 = 0.91322057310490712 + directory = 'pseudo_ellipse_torsionless' + model = 'pseudo-ellipse, torsionless' + ave_pos_alpha = 4.3434999280669997 + ave_pos_beta = 0.43544332764249905 + ave_pos_gamma = 3.8013235235956007 + eigen_alpha = 3.1415926535897931 + eigen_beta = 0.96007997859534311 + eigen_gamma = 4.0322755062196229 + cone_theta_x = 0.1 + cone_theta_y = 0.5 # Execute the analysis.