Hi Troels, Forget that last message, the send button got in the way of the mouse! I would suggest also checking a spin independent parameter as well, for example k_AB, just for sanity to make sure that a fix doesn't break this different parameter class.
Cheers, Edward On 14 January 2015 at 14:55, <tlin...@nmr-relax.com> wrote: > Author: tlinnet > Date: Wed Jan 14 14:55:37 2015 > New Revision: 27161 > > URL: http://svn.gna.org/viewcvs/relax?rev=27161&view=rev > Log: > Added additional test for r2a parameter. > > Bug #23186 (https://gna.org/bugs/index.php?23186): Error calculation of > individual parameter "dw" from Monte-Carlo, is based on first spin. > > 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=27161&r1=27160&r2=27161&view=diff > ============================================================================== > --- trunk/test_suite/system_tests/relax_disp.py (original) > +++ trunk/test_suite/system_tests/relax_disp.py Wed Jan 14 14:55:37 2015 > @@ -1461,6 +1461,31 @@ > state = status.install_path + > sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'bug_23186.bz2' > self.interpreter.state.load(state, force=True) > > + # Dic key to spectrometer frq. > + dickey = 'SQ CPMG - 599.89086220 MHz' > + > + # First get the resi 0 array of sim r2a. > + resi_0_r2a = [] > + > + # Loop over the dics in spin. > + for cdic in cdp.mol[0].res[0].spin[0].r2a_sim: > + resi_0_r2a.append(cdic[dickey]) > + > + # Get stats with numpy > + resi_0_r2a_std = std(asarray(resi_0_r2a), ddof=1) > + > + # First get the resi 86 array of sim r2a. > + resi_86_r2a = [] > + > + # Loop over the dics in spin. > + for cdic in cdp.mol[0].res[1].spin[0].r2a_sim: > + resi_86_r2a.append(cdic[dickey]) > + > + # Get stats with numpy > + resi_86_r2a_std = std(asarray(resi_86_r2a), ddof=1) > + > + # Then get for dw. > + > # First get the array of sim dw. > resi_0_dw = cdp.mol[0].res[0].spin[0].dw_sim > resi_86_dw = cdp.mol[0].res[1].spin[0].dw_sim > @@ -1472,7 +1497,11 @@ > # Perform error analysis. > self.interpreter.monte_carlo.error_analysis() > > - # Check values. > + # Check values for r2a. > + self.assertEqual(resi_0_r2a_std, > cdp.mol[0].res[0].spin[0].r2a_err[dickey]) > + self.assertEqual(resi_86_r2a_std, > cdp.mol[0].res[1].spin[0].r2a_err[dickey]) > + > + # Check values for dw. > self.assertEqual(resi_0_dw_std, cdp.mol[0].res[0].spin[0].dw_err) > self.assertEqual(resi_86_dw_std, cdp.mol[0].res[1].spin[0].dw_err) > > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > relax-comm...@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 _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@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-devel
