Hi Troels, Again for this one, as in http://thread.gmane.org/gmane.science.nmr.relax.scm/19557/focus=4804, you should consider switching to a RelaxWarning for safety.
Cheers, Edward On 6 December 2013 09:16, <[email protected]> wrote: > Author: tlinnet > Date: Fri Dec 6 09:16:34 2013 > New Revision: 21807 > > URL: http://svn.gna.org/viewcvs/relax?rev=21807&view=rev > Log: > Extended reading of spin residue names from NMRPipe SeriesTab formatted file. > > Work in progress for Support Request #3044, > (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. > > Modified: > trunk/lib/spectrum/nmrpipe.py > > Modified: trunk/lib/spectrum/nmrpipe.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/lib/spectrum/nmrpipe.py?rev=21807&r1=21806&r2=21807&view=diff > ============================================================================== > --- trunk/lib/spectrum/nmrpipe.py (original) > +++ trunk/lib/spectrum/nmrpipe.py Fri Dec 6 09:16:34 2013 > @@ -111,7 +111,13 @@ > try: > res_num = int(row1[-3]) > except: > - raise RelaxError("Improperly formatted NMRPipe SeriesTab file., > cannot process the assignment '%s'." % line[0]) > + raise RelaxError("Improperly formatted NMRPipe SeriesTab file, > cannot process the assignment '%s'." % line[0]) > + > + # The residue name. > + try: > + res_name = row1[-4] > + except: > + raise RelaxError("Improperly formatted NMRPipe SeriesTab file, > cannot process the assignment '%s' for residue name." % line[0]) > > # Get the intensities. > try: > @@ -126,4 +132,4 @@ > raise RelaxError("The peak intensity value %s from the line %s > is invalid." % (intensity, line)) > > # Add the assignment to the peak list object. > - peak_list.add(res_nums=[res_num, res_num], spin_names=[name1, > name2], intensity=intensities, intensity_name=spectra) > + peak_list.add(res_nums=[res_num, res_num], res_names=[res_name, > res_name], spin_names=[name1, name2], intensity=intensities, > intensity_name=spectra) > > > _______________________________________________ > 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
