Now fixed. Best T
2013/12/6 Edward d'Auvergne <[email protected]>: > 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, <[email protected]> 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 >> [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
