r14958 - in /1.3: maths_fns/ specific_fns/ test_suite/shared_data/frame_order/rotor/ test_suite/shared_data/frame_order/roto...r14958 - in /1.3: maths_fns/ specific_fns/ test_suite/shared_data/frame_order/rotor/ test_suite/shared_data/frame_order/roto...Author: bugman Date: Wed Nov 2 16:30:48 2011 New Revision: 14958 URL: http://svn.gna.org/viewcvs/relax?rev=14958&view=rev Log: Eliminated one of the eigenframe parameters from the rotor frame order model. In the rotor frame order model, the x and y axes of the eigenframe of the motion are not defined. Therefore the 3 eigenframe Euler angles have been replaced by 2 spherical angles defining the rotation axis. This removes a lot of optimisation issues with this model. Modified: 1.3/maths_fns/frame_order.py 1.3/maths_fns/frame_order_matrix_ops.py 1.3/specific_fns/frame_order.py 1.3/test_suite/shared_data/frame_order/rotor/cone.pdb 1.3/test_suite/shared_data/frame_order/rotor/frame_order.bz2 1.3/test_suite/shared_data/frame_order/rotor/frame_order.log.bz2 1.3/test_suite/shared_data/frame_order/rotor2/ave_pos.pdb 1.3/test_suite/shared_data/frame_order/rotor2/back_calc.bz2 1.3/test_suite/shared_data/frame_order/rotor2/cone.pdb 1.3/test_suite/shared_data/frame_order/rotor2/distribution.pdb.gz 1.3/test_suite/shared_data/frame_order/rotor2/frame_order.bz2 1.3/test_suite/shared_data/frame_order/rotor2/frame_order.log.bz2 1.3/test_suite/shared_data/frame_order/rotor2/frame_order.py 1.3/test_suite/shared_data/frame_order/rotor2/generate_distribution.log 1.3/test_suite/shared_data/frame_order/rotor2/generate_distribution.py 1.3/test_suite/shared_data/frame_order/rotor2/pcs_dy.txt 1.3/test_suite/shared_data/frame_order/rotor2/pcs_er.txt 1.3/test_suite/shared_data/frame_order/rotor2/pcs_tb.txt 1.3/test_suite/shared_data/frame_order/rotor2/pcs_tm.txt 1.3/test_suite/shared_data/frame_order/rotor2/rdc_dy.txt 1.3/test_suite/shared_data/frame_order/rotor2/rdc_er.txt 1.3/test_suite/shared_data/frame_order/rotor2/rdc_tb.txt 1.3/test_suite/shared_data/frame_order/rotor2/rdc_tm.txt 1.3/test_suite/shared_data/frame_order/rotor2/tensor_fit.log.bz2 1.3/test_suite/shared_data/frame_order/rotor2/tensor_fit.py 1.3/test_suite/shared_data/frame_order/rotor2/tensors.py 1.3/test_suite/system_tests/frame_order.py 1.3/test_suite/system_tests/scripts/frame_order/model_calcs/rotor.py 1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: 1.3/maths_fns/frame_order.py URL: http://svn.gna.org/viewcvs/relax/1.3/maths_fns/frame_order.py?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/maths_fns/frame_order_matrix_ops.py URL: http://svn.gna.org/viewcvs/relax/1.3/maths_fns/frame_order_matrix_ops.py?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/specific_fns/frame_order.py URL: http://svn.gna.org/viewcvs/relax/1.3/specific_fns/frame_order.py?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor/cone.pdb URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor/cone.pdb?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor/frame_order.bz2 URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor/frame_order.bz2?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor/frame_order.log.bz2 URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor/frame_order.log.bz2?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/ave_pos.pdb URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/ave_pos.pdb?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/back_calc.bz2 URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/back_calc.bz2?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/cone.pdb URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/cone.pdb?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/distribution.pdb.gz URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/distribution.pdb.gz?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/frame_order.bz2 URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/frame_order.bz2?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/frame_order.log.bz2 URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/frame_order.log.bz2?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/frame_order.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/frame_order.py?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/generate_distribution.log URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/generate_distribution.log?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/generate_distribution.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/frame_order/rotor2/generate_distribution.py?rev=14958&r1=14957&r2=14958&view=diff Modified: 1.3/test_suite/shared_data/frame_order/rotor2/pcs_dy.txt URL: 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