Hi Troels, You may want to insert some parameter value checking self.assertAlmostEqual() calls after the grid_search user function call. However this code almost seems to be duplicated. Is that deliberate? Also don't forget the full stop at the end of all comments.
Cheers, Edward On 25 April 2014 19:15, <[email protected]> wrote: > Author: tlinnet > Date: Fri Apr 25 19:15:32 2014 > New Revision: 22861 > > URL: http://svn.gna.org/viewcvs/relax?rev=22861&view=rev > Log: > Extended systemtest for -s > Relax_disp.test_sod1wt_t25_set_grid_r20_from_min_r2eff. > > Feature request: #3151, (https://gna.org/support/index.php?3151) - User > function to set the R20 parameters in the default grid search using the > minimum R2eff value. > > The systemtest now both test the creation of the correct values, the running > of grid_search, and the auto_analysis. > > 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=22861&r1=22860&r2=22861&view=diff > ============================================================================== > --- trunk/test_suite/system_tests/relax_disp.py (original) > +++ trunk/test_suite/system_tests/relax_disp.py Fri Apr 25 19:15:32 2014 > @@ -3570,7 +3570,7 @@ > pipe_name = 'base pipe' > pipe_type = 'relax_disp' > pipe_name_r2eff = "%s_R2eff"%(pipe_name) > - select_spin_index = range(0,2) > + select_spin_index = range(0,1) > self.setup_sod1wt_t25(pipe_name=pipe_name, pipe_type=pipe_type, > pipe_name_r2eff=pipe_name_r2eff, select_spin_index=select_spin_index) > > # Generate r20 keu > @@ -3631,6 +3631,31 @@ > print(r2eff_500) > self.assertEqual(spin.r2[r20_key_500], min(r2eff_500)) > print("") > + > + # Test just the Grid search > + GRID_INC = 5 > + > + self.interpreter.grid_search(lower=None, upper=None, inc=GRID_INC, > constraints=True, verbosity=1) > + > + ### Run auto_analysis > + # The grid search size (the number of increments per dimension). > + GRID_INC = 5 > + > + # The number of Monte Carlo simulations to be used for error > analysis at the end of the analysis. > + MC_NUM = 3 > + > + # Model selection technique. > + MODSEL = 'AIC' > + > + # Execute the auto-analysis (fast). > + # Standard parameters are: func_tol=1e-25, grad_tol=None, > max_iter=10000000, > + OPT_FUNC_TOL = 1e-1 > + relax_disp.Relax_disp.opt_func_tol = OPT_FUNC_TOL > + OPT_MAX_ITERATIONS = 1000 > + relax_disp.Relax_disp.opt_max_iterations = OPT_MAX_ITERATIONS > + > + # Run the analysis. > + relax_disp.Relax_disp(pipe_name=pipe_name_r2eff, > results_dir=ds.tmpdir, models=[MODEL], grid_inc=GRID_INC, mc_sim_num=MC_NUM, > modsel=MODSEL, set_grid_r20=True) > > > def test_sprangers_data_to_mmq_cr72(self, model=None): > > > _______________________________________________ > 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
