Hi, This is in progress. I need to work out if there is a problem with the data generation script (test_suite/shared_data/dispersion/lm63_3site/generate.py), the R2eff calculating script (test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py), the system test itself, or a bug in the lib.dispersion.lm63_3site module.
Regards, Edward On 17 June 2014 12:30, Troels Emtekær Linnet <[email protected]> wrote: > Hi Ed. > > This fails at my place: > relax -s Relax_disp.test_lm63_3site_synthetic > > Parameter Value (:1) Value (:2) > R2 (500 MHz) 18.137279173991 18.0449271425147 > R2 (800 MHz) 27.1367917624818 22.3269175748027 > phi_ex_B 0.121830812840997 0.00564843080529186 > phi_ex_C 0.0988995384542201 0.400393216690219 > kB 2215.63290487449 1092.46004735906 > kC 8513.79178045598 4229.93651091873 > chi2 89.6966887535688 1.76098022563991 > > Traceback (most recent call last): > File > "/Users/tlinnet/software/relax_trunk/test_suite/system_tests/relax_disp.py", > line 3830, in test_lm63_3site_synthetic > self.assertAlmostEqual(spin1.r2[r20_key1], 12.0, 2) > AssertionError: 18.137279173990979 != 12.0 within 2 places > > ---------- Forwarded message ---------- > From: <[email protected]> > Date: 2014-06-17 12:20 GMT+02:00 > Subject: r24023 - > /branches/disp_spin_speed/test_suite/system_tests/relax_disp.py > To: [email protected] > > > Author: tlinnet > Date: Tue Jun 17 12:20:15 2014 > New Revision: 24023 > > URL: http://svn.gna.org/viewcvs/relax?rev=24023&view=rev > Log: > Fix for systemtest test_korzhnev_2005_all_data_disp_speed_bug. > > The precision is lowered, and now matches the original systemtest. > > Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion > models for Clustered analysis. > > Modified: > branches/disp_spin_speed/test_suite/system_tests/relax_disp.py > > Modified: branches/disp_spin_speed/test_suite/system_tests/relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/system_tests/relax_disp.py?rev=24023&r1=24022&r2=24023&view=diff > ============================================================================== > --- branches/disp_spin_speed/test_suite/system_tests/relax_disp.py > (original) > +++ branches/disp_spin_speed/test_suite/system_tests/relax_disp.py Tue > Jun 17 12:20:15 2014 > @@ -3618,9 +3618,8 @@ > spin.dwH = -0.27258970590969 > spin.kex = 360.516132791038 > > - # Low precision optimisation. > - #self.interpreter.grid_search(lower=None, upper=None, inc=10, > constraints=True, verbosity=1) > - self.interpreter.minimise(min_algor='simplex', func_tol=1e-05, > max_iter=1) > + # Calc the chi2 values at these parameters. > + self.interpreter.calc(verbosity=1) > > # Printout. > print("\n\nOptimised parameters:\n") > @@ -3650,7 +3649,7 @@ > print("%-20s %20.15g\n" % ("chi2", spin.chi2)) > > # Checks for residue :9. > - self.assertAlmostEqual(spin.chi2, 162.511988511609, 3) > + self.assertAlmostEqual(spin.chi2/1000, 162.511988511609/1000, 3) > > > def test_kteilum_fmpoulsen_makke_cpmg_data_048m_guhcl_to_cr72(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 > _______________________________________________ > 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 _______________________________________________ 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
