Hi, I would suggest modifying the test so that cdp.mol[0].res[1].num = 61 is checked and the name is 'L'. The user function backend should place both these spins into the same residue container if the residue ID information is missing from the second bit. So there should only be one residue with two spins 'N' and 'HN'.
Regards, Edward On 6 December 2013 12:09, <tlin...@nmr-relax.com> wrote: > Author: tlinnet > Date: Fri Dec 6 12:09:54 2013 > New Revision: 21824 > > URL: http://svn.gna.org/viewcvs/relax?rev=21824&view=rev > Log: > Implemented system test for reading spins from a NMRPipe SeriesTab formatted > file, where the assignments for second dimension is missing. > > This will be a typically export from SPARKY, converted to NMRPipe format, and > proÂcessed with SeriesTab. > > Work in progress for Support Request #3044, > (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. > > Modified: > trunk/test_suite/system_tests/peak_lists.py > > Modified: trunk/test_suite/system_tests/peak_lists.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/peak_lists.py?rev=21824&r1=21823&r2=21824&view=diff > ============================================================================== > --- trunk/test_suite/system_tests/peak_lists.py (original) > +++ trunk/test_suite/system_tests/peak_lists.py Fri Dec 6 12:09:54 2013 > @@ -253,6 +253,33 @@ > self.assertEqual(len(cdp.mol[0].res[3].spin), 1) > self.assertEqual(cdp.mol[0].res[3].spin[0].num, None) > self.assertEqual(cdp.mol[0].res[3].spin[0].name, 'N') > + > + > + def test_read_spins_peak_list_NMRPipe_seriesTab_multi_no_2dim(self): > + """Test the reading of an NMRPipe seriesTab peak list, with no > assignment for second dimension.""" > + > + # Read the peak list. > + > self.interpreter.spectrum.read_spins(file="folded_sparky_corr_final_max_standard_trunc.ser", > dir=status.install_path + > sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'KTeilum_FMPoulsen_MAkke_2006'+sep+'acbp_cpmg_disp_101MGuHCl_40C_041223', > dim=1) > + > self.interpreter.spectrum.read_spins(file="folded_sparky_corr_final_max_standard_trunc.ser", > dir=status.install_path + > sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'KTeilum_FMPoulsen_MAkke_2006'+sep+'acbp_cpmg_disp_101MGuHCl_40C_041223', > dim=2) > + > + # Test some of the sequence. > + self.assertEqual(len(cdp.mol), 1) > + self.assertEqual(cdp.mol[0].name, None) > + self.assertEqual(len(cdp.mol[0].res), 2) > + > + # 1st residue. > + self.assertEqual(cdp.mol[0].res[0].num, 61) > + self.assertEqual(cdp.mol[0].res[0].name, 'L') > + self.assertEqual(len(cdp.mol[0].res[0].spin), 1) > + self.assertEqual(cdp.mol[0].res[0].spin[0].num, None) > + self.assertEqual(cdp.mol[0].res[0].spin[0].name, 'N') > + > + # 2nd residue, which is a None residue. > + self.assertEqual(cdp.mol[0].res[1].num, None) > + self.assertEqual(cdp.mol[0].res[1].name, None) > + self.assertEqual(len(cdp.mol[0].res[1].spin), 1) > + self.assertEqual(cdp.mol[0].res[1].spin[0].num, None) > + self.assertEqual(cdp.mol[0].res[1].spin[0].name, 'HN') > > > def test_read_spins_peak_list_sparky(self): > > > _______________________________________________ > 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
