Hi Troels, Maybe it would be better to hardcode the two variance averaged standard deviations (126.05227793927868 and 265.7619655474242) directly into the test. This would be just in case cdp.var_I somehow changed and propagated the bug into cdp.sigma_I. The current tests are great and should not change, but adding some additional tests to these two numbers might give even better test coverage for the whole peak intensity error analysis. What do you think?
Cheers, Edward On 23 April 2014 13:00, <[email protected]> wrote: > Author: tlinnet > Date: Wed Apr 23 13:00:25 2014 > New Revision: 22836 > > URL: http://svn.gna.org/viewcvs/relax?rev=22836&view=rev > Log: > Extended --gui-tests Relax_disp.test_hansen_trunc_data. > > Regarding bug #21954, (https://gna.org/bugs/index.php?21954) - Order of > spectrum.error_analysis is important. > > To cath errors in this dataset. > > Modified: > trunk/test_suite/gui_tests/relax_disp.py > > Modified: trunk/test_suite/gui_tests/relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/test_suite/gui_tests/relax_disp.py?rev=22836&r1=22835&r2=22836&view=diff > ============================================================================== > --- trunk/test_suite/gui_tests/relax_disp.py (original) > +++ trunk/test_suite/gui_tests/relax_disp.py Wed Apr 23 13:00:25 2014 > @@ -25,6 +25,7 @@ > > # Python module imports. > from os import sep > +import math > import wx > > # relax module imports. > @@ -386,9 +387,36 @@ > analysis.opt_func_tol = 1e-5 > analysis.opt_max_iterations = 1000 > > + subset_500 = ['500_reference.in', '500_66.667.in', '500_133.33.in', > '500_133.33.in.bis', '500_200.in', '500_266.67.in', '500_333.33.in', > '500_400.in', '500_466.67.in', '500_533.33.in', '500_533.33.in.bis', > '500_600.in', '500_666.67.in', '500_733.33.in', '500_800.in', > '500_866.67.in', '500_933.33.in', '500_933.33.in.bis', '500_1000.in'] > + subset_800 = ['800_reference.in', '800_66.667.in', '800_133.33.in', > '800_133.33.in.bis', '800_200.in', '800_266.67.in', '800_333.33.in', > '800_400.in', '800_466.67.in', '800_533.33.in', '800_533.33.in.bis', > '800_600.in', '800_666.67.in', '800_733.33.in', '800_800.in', > '800_866.67.in', '800_933.33.in', '800_933.33.in.bis', '800_1000.in'] > + > # Perform the error analysis. > - self._execute_uf(uf_name='spectrum.error_analysis', > subset=['500_reference.in', '500_66.667.in', '500_133.33.in', > '500_133.33.in.bis', '500_200.in', '500_266.67.in', '500_333.33.in', > '500_400.in', '500_466.67.in', '500_533.33.in', '500_533.33.in.bis', > '500_600.in', '500_666.67.in', '500_733.33.in', '500_800.in', > '500_866.67.in', '500_933.33.in', '500_933.33.in.bis', '500_1000.in']) > - self._execute_uf(uf_name='spectrum.error_analysis', > subset=['800_reference.in', '800_66.667.in', '800_133.33.in', > '800_133.33.in.bis', '800_200.in', '800_266.67.in', '800_333.33.in', > '800_400.in', '800_466.67.in', '800_533.33.in', '800_533.33.in.bis', > '800_600.in', '800_666.67.in', '800_733.33.in', '800_800.in', > '800_866.67.in', '800_933.33.in', '800_933.33.in.bis', '800_1000.in']) > + self._execute_uf(uf_name='spectrum.error_analysis', > subset=subset_500) > + self._execute_uf(uf_name='spectrum.error_analysis', > subset=subset_800) > + > + # Do check of std calculation for 500 MHz > + sum_var_500 = 0.0 > + for id_500 in subset_500: > + sum_var_500 += cdp.var_I[id_500] > + > + # Calculate std > + std_500 = math.sqrt((sum_var_500)/len(subset_500)) > + > + print("Manually calculated standard deviation for 500 MHz: > %f"%std_500) > + for id_500 in subset_500: > + self.assertAlmostEqual(cdp.sigma_I[id_500], std_500) > + > + # Do check of std calculation for 800 MHz > + sum_var_800 = 0.0 > + for id_800 in subset_800: > + sum_var_800 += cdp.var_I[id_800] > + > + # Calculate std > + std_800 = math.sqrt((sum_var_800)/len(subset_800)) > + > + print("Manually calculated standard deviation for 800 MHz: > %f"%std_800) > + for id_800 in subset_800: > + self.assertAlmostEqual(cdp.sigma_I[id_800], std_800) > > # Delete all residues but :4, :70 and :71. > for i in range(1, 100): > > > _______________________________________________ > 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
