Author: bugman Date: Thu Apr 3 18:30:35 2014 New Revision: 22624 URL: http://svn.gna.org/viewcvs/relax?rev=22624&view=rev Log: Fixes for all of the CaM frame order optimisation scripts in the test data directories. The frame_order.average_position user function is now essential. Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/rigid/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('free rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('free rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('free rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('iso cone') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py Thu Apr 3 18:30:35 2014 @@ -86,6 +86,9 @@ # Select the model. frame_order.select_model('iso cone, free rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py Thu Apr 3 18:30:35 2014 @@ -86,6 +86,9 @@ # Select the model. frame_order.select_model('iso cone, free rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('iso cone, torsionless') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('pseudo-ellipse') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('pseudo-ellipse') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('pseudo-ellipse, free rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('pseudo-ellipse, torsionless') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/rigid/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/rigid/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/rigid/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/rigid/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('rigid') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N') Modified: branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py?rev=22624&r1=22623&r2=22624&view=diff ============================================================================== --- branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py (original) +++ branches/double_rotor/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py Thu Apr 3 18:30:35 2014 @@ -85,6 +85,9 @@ # Select the model. frame_order.select_model('rotor') + + # Set up the mechanics of the displacement to the average domain position. + frame_order.average_position(pivot='motional', translation=False) # Set the reference domain. frame_order.ref_domain('N')