Re: r21824 - /trunk/test_suite/system_tests/peak_lists.py -- December 06, 2013 - 13:14

Now fixed.

Best
T

2013/12/6 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
> 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,  <tlinnet@xxxxxxxxxxxxx> 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-commits@xxxxxxx
> >
> > 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@xxxxxxx
>
> 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