r24545 - in /branches/zooming_grid_search: auto_analyses/ devel_scripts/ docs/ docs/latex/ sample_scripts/ sample_scripts/mo...r24545 - in /branches/zooming_grid_search: auto_analyses/ devel_scripts/ docs/ docs/latex/ sample_scripts/ sample_scripts/mo...Author: bugman Date: Wed Jul 16 20:57:03 2014 New Revision: 24545 URL: http://svn.gna.org/viewcvs/relax?rev=24545&view=rev Log: Redesign of the optimisation user functions calculate, grid_search, and minimise. In preparation for expanding the number of optimisation user functions, these three current user functions have been shifted into the new minimise user function class. The calculate user function is now accessed as minimise.calculate. The grid search as minimise.grid_search. And minimisation is via the minimise.execute user function. The icon used for the new user function class is the Rosenbrock function or the banana optimisation problem. As this is such a radical change, a huge number of changes in the relax source code, the sample scripts, the user manual, and the test suite were required. Modified: branches/zooming_grid_search/auto_analyses/dauvergne_protocol.py branches/zooming_grid_search/auto_analyses/frame_order.py branches/zooming_grid_search/auto_analyses/noe.py branches/zooming_grid_search/auto_analyses/relax_disp.py branches/zooming_grid_search/auto_analyses/relax_fit.py branches/zooming_grid_search/auto_analyses/stereochem_analysis.py branches/zooming_grid_search/devel_scripts/memory_leak_test_relax_fit.py branches/zooming_grid_search/docs/latex/consistency_tests.tex branches/zooming_grid_search/docs/latex/curvefit.tex branches/zooming_grid_search/docs/latex/dispersion.tex branches/zooming_grid_search/docs/latex/intro.tex branches/zooming_grid_search/docs/latex/jw_mapping.tex branches/zooming_grid_search/docs/latex/model-free.tex branches/zooming_grid_search/docs/latex/noe.tex branches/zooming_grid_search/docs/latex/optimisation.tex branches/zooming_grid_search/docs/prompt_screenshot.txt branches/zooming_grid_search/sample_scripts/consistency_tests.py 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branches/zooming_grid_search/test_suite/shared_data/dispersion/error_testing/simulation.py branches/zooming_grid_search/test_suite/shared_data/dispersion/lm63_3site/relax_results/relax_disp_manual.py branches/zooming_grid_search/test_suite/shared_data/dispersion/ns_mmq_3site/relax_results/solution.py branches/zooming_grid_search/test_suite/shared_data/dispersion/ns_mmq_3site_linear/relax_results/solution.py branches/zooming_grid_search/test_suite/shared_data/dispersion/ns_r1rho_3site/relax_results/solution.py branches/zooming_grid_search/test_suite/shared_data/dispersion/ns_r1rho_3site_linear/relax_results/solution.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/free_rotor/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/free_rotor2/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/iso_cone/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/pseudo_ellipse/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order_pseudo_ellipse.py 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branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py branches/zooming_grid_search/test_suite/shared_data/frame_order/cam/rotor_2_state/tensor_fit.py branches/zooming_grid_search/test_suite/shared_data/frame_order/displacements/rigid_test.py branches/zooming_grid_search/test_suite/shared_data/relaxation_data/white_noise/simulation.py branches/zooming_grid_search/test_suite/system_tests/frame_order.py branches/zooming_grid_search/test_suite/system_tests/model_free.py branches/zooming_grid_search/test_suite/system_tests/n_state_model.py branches/zooming_grid_search/test_suite/system_tests/noe.py branches/zooming_grid_search/test_suite/system_tests/relax_disp.py branches/zooming_grid_search/test_suite/system_tests/scripts/1UBQ_relax_fit.py branches/zooming_grid_search/test_suite/system_tests/scripts/bug_17276_peak_lists.py branches/zooming_grid_search/test_suite/system_tests/scripts/bug_20674_ct_analysis_failure.py branches/zooming_grid_search/test_suite/system_tests/scripts/bug_20674_jw_mapping.py branches/zooming_grid_search/test_suite/system_tests/scripts/consistency_tests.py branches/zooming_grid_search/test_suite/system_tests/scripts/consistency_tests_calc_test.py branches/zooming_grid_search/test_suite/system_tests/scripts/curve_fitting/bug_18789_no_grace_errors.py branches/zooming_grid_search/test_suite/system_tests/scripts/curve_fitting/bug_19887_curvefit_fail.py branches/zooming_grid_search/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py branches/zooming_grid_search/test_suite/system_tests/scripts/frame_order/cam/base_script.py branches/zooming_grid_search/test_suite/system_tests/scripts/frame_order/opt_rigid_rand_rot.py branches/zooming_grid_search/test_suite/system_tests/scripts/frame_order/rigid_test.py branches/zooming_grid_search/test_suite/system_tests/scripts/jw_mapping.py branches/zooming_grid_search/test_suite/system_tests/scripts/jw_mapping_calc_test.py 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branches/zooming_grid_search/test_suite/system_tests/scripts/n_state_model/paramag_centre_fit.py branches/zooming_grid_search/test_suite/system_tests/scripts/n_state_model/phthalic_acid_noes.py branches/zooming_grid_search/test_suite/system_tests/scripts/n_state_model/populations.py branches/zooming_grid_search/test_suite/system_tests/scripts/n_state_model/pyrotartaric_anhydride.py branches/zooming_grid_search/test_suite/system_tests/scripts/n_state_model/rdc_tensor.py branches/zooming_grid_search/test_suite/system_tests/scripts/noe/bug_21562_noe_replicate_fail.py branches/zooming_grid_search/test_suite/system_tests/scripts/noe/noe.py branches/zooming_grid_search/test_suite/system_tests/scripts/peak_lists/ccpn_analysis.py branches/zooming_grid_search/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py branches/zooming_grid_search/test_suite/system_tests/scripts/relax_disp/ns_mmq_3site.py branches/zooming_grid_search/test_suite/system_tests/scripts/relax_disp/ns_mmq_3site_linear.py branches/zooming_grid_search/test_suite/system_tests/scripts/relax_disp/ns_r1rho_3site.py branches/zooming_grid_search/test_suite/system_tests/scripts/relax_disp/ns_r1rho_3site_linear.py branches/zooming_grid_search/test_suite/system_tests/scripts/relax_fit.py branches/zooming_grid_search/test_suite/unit_tests/_prompt/test_minimisation.py branches/zooming_grid_search/test_suite/unit_tests/_specific_analyses/_relax_disp/test_data.py branches/zooming_grid_search/user_functions/minimisation.py branches/zooming_grid_search/user_functions/monte_carlo.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: branches/zooming_grid_search/auto_analyses/dauvergne_protocol.py URL: http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/auto_analyses/dauvergne_protocol.py?rev=24545&r1=24544&r2=24545&view=diff Modified: 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