Re: r21807 - /trunk/lib/spectrum/nmrpipe.py -- December 06, 2013 - 09:22

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,  <tlinnet@xxxxxxxxxxxxx> 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
> 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