Hi, Until dfunc_*() functions are added to the target_functions.relax_disp.Relax_disp target function class, the Method of Multipliers algorithm will not work. In such cases, the Log-barrier method is required. The exponential curve-fitting of the 'R2eff' model, which is not part of the relaxation dispersion target function class as it uses the curve-fitting C modules, is an exception.
Regards, Edward On 1 September 2014 14:20, <[email protected]> wrote: > Author: tlinnet > Date: Mon Sep 1 14:20:08 2014 > New Revision: 25497 > > URL: http://svn.gna.org/viewcvs/relax?rev=25497&view=rev > Log: > Initial try to reach constrained methods in minfx through relax. > > This is in systemtest Relax_disp.verify_estimate_r2eff_err_compare_mc() > > This though not seem to be supported. > > 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=25497&r1=25496&r2=25497&view=diff > ============================================================================== > --- trunk/test_suite/system_tests/relax_disp.py (original) > +++ trunk/test_suite/system_tests/relax_disp.py Mon Sep 1 14:20:08 2014 > @@ -7999,9 +7999,15 @@ > > # Set algorithm. > min_algor = 'Newton' > - constraints = False > + constraints = True > + if constraints: > + min_options = ('%s'%(min_algor),) > + #min_algor = 'Log barrier' > + min_algor = 'Method of Multipliers' > + else: > + min_options = () > min_options = () > - sim_boot = 2000 > + sim_boot = 200 > scaling_list = [1.0, 1.0] > > # Minimise. > @@ -8123,7 +8129,7 @@ > > > # Make Carlo Simulations number > - mc_number_list = range(0, 2400, 400) > + mc_number_list = range(0, 1000, 250) > > sim_attr_list = ['chi2_sim', 'f_count_sim', 'g_count_sim', > 'h_count_sim', 'i0_sim', 'iter_sim', 'peak_intensity_sim', 'r2eff_sim', > 'select_sim', 'warning_sim'] > > > > _______________________________________________ > 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 _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel 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-devel
