That makes a bit more sense ;) Regards,
Edward On 17 June 2011 18:25, Sébastien Morin <[email protected]> wrote: > Hi, > > This was committed too fast (oups!)... > > The good commit message should have been: > > ==== > Created a function for checking the inversion-recovery curve fitting > results. > > This function is duplicated from the corresponding function for exponential > decay. > ==== > > Cheers, > > > Séb :) > > > > On 11-06-17 6:23 PM, [email protected] wrote: >> >> Author: semor >> Date: Fri Jun 17 18:23:27 2011 >> New Revision: 13119 >> >> URL: http://svn.gna.org/viewcvs/relax?rev=13119&view=rev >> Log: >> >> Renamed the function for checking the curve fitting results. >> >> >> Modified: >> branches/inversion-recovery/test_suite/system_tests/relax_fit.py >> >> Modified: branches/inversion-recovery/test_suite/system_tests/relax_fit.py >> URL: >> http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/system_tests/relax_fit.py?rev=13119&r1=13118&r2=13119&view=diff >> >> ============================================================================== >> --- branches/inversion-recovery/test_suite/system_tests/relax_fit.py >> (original) >> +++ branches/inversion-recovery/test_suite/system_tests/relax_fit.py Fri >> Jun 17 18:23:27 2011 >> @@ -101,6 +101,47 @@ >> break >> >> >> + def check_curve_fitting_exp_3param_inv_neg(self): >> + """Check the results of the curve-fitting.""" >> + >> + # Data. >> + relax_times = [0.0176, 0.0176, 0.0352, 0.0704, 0.0704, 0.1056, >> 0.1584, 0.1584, 0.1936, 0.1936] >> + chi2 = [None, None, None, 3.1727215308183405, 5.9732236976178248, >> 17.633333237460601, 4.7413502242106036, 10.759950979457724, None, None, >> None, 6.5520255580798752] >> + rx = [None, None, None, 8.0814894819861891, 8.6478971007171523, >> 9.5710638143380482, 10.716551832690667, 11.143793929315777, None, None, >> None, 12.828753698718391] >> + i0 = [None, None, None, 1996050.9679873895, 2068490.9458262245, >> 1611556.5193290685, 1362887.2329727132, 1877670.5629299041, None, None, >> None, 897044.17270784755] >> + >> + # Some checks. >> + self.assertEqual(cdp.curve_type, 'exp_2param_neg') >> + self.assertEqual(cdp.int_method, ds.int_type) >> + self.assertEqual(len(cdp.relax_times), 10) >> + cdp_relax_times = sorted(cdp.relax_times.values()) >> + for i in range(10): >> + self.assertEqual(cdp_relax_times[i], relax_times[i]) >> + >> + # Check the errors. >> + for key in cdp.sigma_I: >> + self.assertEqual(cdp.sigma_I[key], 10142.707367087694) >> + self.assertEqual(cdp.var_I[key], 102874512.734375) >> + >> + # Spin data check. >> + i = 0 >> + for spin in spin_loop(): >> + # No data present. >> + if chi2[i] == None: >> + self.assert_(not hasattr(spin, 'chi2')) >> + >> + # Data present. >> + else: >> + self.assertAlmostEqual(spin.chi2, chi2[i]) >> + self.assertAlmostEqual(spin.rx, rx[i]) >> + self.assertAlmostEqual(spin.i0/1e6, i0[i]/1e6) >> + >> + # Increment the spin index. >> + i = i + 1 >> + if i>= 12: >> + break >> + >> + >> def test_bug_12670_12679(self): >> """Test the relaxation curve fitting, replicating bug #12670 and >> bug #12679.""" >> >> >> >> _______________________________________________ >> relax (http://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 > > -- > Sébastien Morin, Ph.D. > Postdoctoral Fellow, S. Grzesiek NMR Laboratory > Department of Structural Biology > Biozentrum, Universität Basel > Klingelbergstrasse 70 > 4056 Basel > Switzerland > > > _______________________________________________ > relax (http://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://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
