Author: tlinnet Date: Tue Sep 2 14:03:31 2014 New Revision: 25541 URL: http://svn.gna.org/viewcvs/relax?rev=25541&view=rev Log: Modified systemtest, to minimise with BFGS, but it will fail.
task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR estimation from Jacobian and Co-variance matrix of dispersion models. Modified: branches/est_par_error/test_suite/system_tests/relax_disp.py Modified: branches/est_par_error/test_suite/system_tests/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/system_tests/relax_disp.py?rev=25541&r1=25540&r2=25541&view=diff ============================================================================== --- branches/est_par_error/test_suite/system_tests/relax_disp.py (original) +++ branches/est_par_error/test_suite/system_tests/relax_disp.py Tue Sep 2 14:03:31 2014 @@ -7470,7 +7470,8 @@ sim_boot = 50 # Set algorithm. - min_algor = 'simplex' + #min_algor = 'simplex' + min_algor = 'BFGS' constraints = True if constraints: min_options = ('%s'%(min_algor),) @@ -7532,7 +7533,7 @@ # Init the Dispersion clas with data, so we can call functions in it. tfunc = Dispersion(model=model, num_params=model_param_num, num_spins=num_spins, num_frq=field_count, exp_types=exp_types, values=values_err, errors=errors, missing=missing, frqs=frqs, frqs_H=frqs_H, cpmg_frqs=cpmg_frqs, spin_lock_nu1=spin_lock_nu1, chemical_shifts=chemical_shifts, offset=offsets, tilt_angles=tilt_angles, r1=r1, relax_times=relax_times, r1_fit=r1_fit) - results = generic_minimise(func=tfunc.func, args=(), x0=param_vector, min_algor=min_algor, min_options=min_options, A=A, b=b, full_output=True, print_flag=0) + results = generic_minimise(func=tfunc.func, dfunc=tfunc.dfunc, args=(), x0=param_vector, min_algor=min_algor, min_options=min_options, A=A, b=b, full_output=True, print_flag=0) param_vector, chi2, iter_count, f_count, g_count, h_count, warning = results # Get the parameters fitted in the model. _______________________________________________ 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
