Author: tlinnet Date: Sat Jan 17 17:25:12 2015 New Revision: 27215 URL: http://svn.gna.org/viewcvs/relax?rev=27215&view=rev Log: Simplification of systemtest Relax_disp.test_task_7882_monte_carlo_std_residual, to just test the creation of Monte-Carlo data where errors are drawn from the reduced chi2 distribution.
Task #7882 (https://gna.org/task/?7882): Implement Monte-Carlo simulation, where errors are generated with width of standard deviation or residuals.): Implement Monte-Carlo simulation, where errors are generated with width of standard deviation or residuals. 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=27215&r1=27214&r2=27215&view=diff ============================================================================== --- trunk/test_suite/system_tests/relax_disp.py (original) +++ trunk/test_suite/system_tests/relax_disp.py Sat Jan 17 17:25:12 2015 @@ -8534,36 +8534,33 @@ file_name = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'error_testing'+sep+'task_7882' self.interpreter.results.read(file_name) - # Recalc the values at this step, to make sure that Sum of Squares are stored (Chi2 without weighting) and standard deviation is stored. - self.interpreter.minimise.execute(min_algor='simplex', func_tol=1e-05, max_iter=10, verbosity=0) - - # Make sure they are stored for all spins. - for spin, spin_id in spin_loop(return_id=True, skip_desel=True): - self.assert_(hasattr(spin, 'sos')) - self.assert_(hasattr(spin, 'sos_std')) - - # Then check the results are stored after a call to calculate function. - # First reset. - self.interpreter.reset() - - # Run the setup function to create pipe. - self.setUp() - - # Load the results file from a clustered minimisation. - file_name = status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'error_testing'+sep+'task_7882' - self.interpreter.results.read(file_name) - - # Recalc the values at this step, to make sure that Sum of Squares are stored (Chi2 without weighting) and standard deviation (dof) is stored. - self.interpreter.minimise.calculate(verbosity=1) - - # Make sure they are stored for all spins. - for spin, spin_id in spin_loop(return_id=True, skip_desel=True): - self.assert_(hasattr(spin, 'sos')) - self.assert_(hasattr(spin, 'sos_std')) - # Get the spins, which was used for clustering. spins_cluster = cdp.clustering['sel'] spins_free = cdp.clustering['free spins'] + + # For sanity check, calculate degree of freedom. + cur_spin_id = spins_cluster[0] + cur_spin = return_spin(cur_spin_id) + + # Calculate total number of datapoins. + N = len(spins_cluster) + N_dp = N * len(cur_spin.r2eff) + + # Calculate number of paramaters. For CR72, there is R2 per spectrometer field, individual dw, and shared kex and pA. + N_par = cdp.spectrometer_frq_count * N + N + 1 + 1 + dof = N_dp - N_par + + # Sanity check of parameters. + print(N_par, N_dp) + + # Number of MC + mc_nr = 3 + + # Setup MC. + self.interpreter.monte_carlo.setup(number=mc_nr) + + # Create data. + self.interpreter.monte_carlo.create_data(distribution="red_chi2") def test_tp02_data_to_tp02(self): _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org 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
