Author: tlinnet Date: Fri Aug 29 21:52:24 2014 New Revision: 25456 URL: http://svn.gna.org/viewcvs/relax?rev=25456&view=rev Log: Modified systemtest test_estimate_r2eff_err_methods, to check all Jacobian methods are correctly implemented.
task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting. Modified: trunk/test_suite/system_tests/relax_disp.py Modified: trunk/test_suite/system_tests/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=25456&r1=25455&r2=25456&view=diff ============================================================================== --- trunk/test_suite/system_tests/relax_disp.py (original) +++ trunk/test_suite/system_tests/relax_disp.py Fri Aug 29 21:52:24 2014 @@ -3182,13 +3182,22 @@ # Now do it manually. estimate_r2eff(method='scipy.optimize.leastsq') + + estimate_r2eff(method='minfx', min_algor='simplex', c_code=True, constraints=False, chi2_jacobian=False) estimate_r2eff(method='minfx', min_algor='simplex', c_code=True, constraints=False, chi2_jacobian=True) + + estimate_r2eff(method='minfx', min_algor='simplex', c_code=False, constraints=False, chi2_jacobian=False) estimate_r2eff(method='minfx', min_algor='simplex', c_code=False, constraints=False, chi2_jacobian=True) - estimate_r2eff(method='minfx', min_algor='simplex', c_code=False, constraints=False, chi2_jacobian=False) + + estimate_r2eff(method='minfx', min_algor='BFGS', c_code=True, constraints=False, chi2_jacobian=False) estimate_r2eff(method='minfx', min_algor='BFGS', c_code=True, constraints=False, chi2_jacobian=True) + + estimate_r2eff(method='minfx', min_algor='BFGS', c_code=False, constraints=False, chi2_jacobian=False) estimate_r2eff(method='minfx', min_algor='BFGS', c_code=False, constraints=False, chi2_jacobian=True) - estimate_r2eff(method='minfx', min_algor='BFGS', c_code=False, constraints=False, chi2_jacobian=False) + + estimate_r2eff(method='minfx', min_algor='Newton', c_code=True, constraints=False, chi2_jacobian=False) estimate_r2eff(method='minfx', min_algor='Newton', c_code=True, constraints=False, chi2_jacobian=True) + def test_exp_fit(self): _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits
