Re: r7694 - in /1.3: generic_fns/intensity.py test_suite/shared_data/peak_lists/cNTnC.xpk -- October 14, 2008 - 23:38

Hi Ed,

I am not sure I understand why these changes are needed...

Maybe you can try to do something with that bit of code. However, I've
tried it with several peak lists and it seems to work fine.

We might want to do as you did for the xeasy peak list (r7696,
http://svn.gna.org/viewcvs/relax?rev=7696&view=rev) and try to 'stress
the code'...

Cheers,


Séb






Edward d'Auvergne wrote:
> On Tue, Oct 14, 2008 at 6:10 PM,  <sebastien.morin.1@xxxxxxxxx> wrote:
>   
> > Author: semor
> > Date: Tue Oct 14 18:10:16 2008
> > New Revision: 7694
> >
> > URL: http://svn.gna.org/viewcvs/relax?rev=7694&view=rev
> > Log:
> > Added the support for when a nmrview peak list contains unassigned peaks.
> >
> > These peaks have an assignment field as '{}' in the peak list and are now 
> > excluded.
> >
> > Complemented the peak list sample accordingly.
> >
> >
> > Modified:
> >    1.3/generic_fns/intensity.py
> >    1.3/test_suite/shared_data/peak_lists/cNTnC.xpk
> >
> > Modified: 1.3/generic_fns/intensity.py
> > URL: 
> > http://svn.gna.org/viewcvs/relax/1.3/generic_fns/intensity.py?rev=7694&r1=7693&r2=7694&view=diff
> > ==============================================================================
> > --- 1.3/generic_fns/intensity.py (original)
> > +++ 1.3/generic_fns/intensity.py Tue Oct 14 18:10:16 2008
> > @@ -175,6 +175,7 @@
> >     """
> >
> >     # The residue number
> > +    res_num=''
> >     try:
> >         res_num = string.strip(line[1],'{')
> >         res_num = string.strip(res_num,'}')
> > @@ -184,14 +185,18 @@
> >         raise RelaxError, "The peak list is invalid."
> >     
>
> I'm not sure if this is a bug or not, but won't this cause a
> RelaxError to be raised rather than returning with nothing when the
> '{}' assignment is encountered?  And instead of a try statement, could
> a line like:
>
> if line[1] == '{}':
>     return
>
> be used?  This may allow other errors to be caught while just skipping
> '{}' assignments.
>
> Regards,
>
> Edward
>
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