Re: [Relax-devel] Re: Relaxation data structure bug fix. (January 12, 2006 - 14:56)

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Opps, Should have spotted the noe_r1_table issue. I've shifted the new
code as you suggest.  The other change that somehow escaped my last
commit is the deletion of the if condition in the function
read_columnar_relax_data() at line 3221 in specific_fns/model_free.py
The test for consistency that follows is then redundant.


On Thu, 2006-01-12 at 04:39, Edward d'Auvergne wrote:
> Oh, for readability it might be worth having an empty line before each
> comment and subsequent block of code.  It makes it easier to read and
> understand the code.  As for the mailing list, a 'reply to all' option
> should CC the email to the relax-devel list as well as the person
> you're responding to.
> 
> 
> On 12/01/06, Edward d'Auvergne <edward.dauvergne@xxxxxxxxx> wrote:
> > Chris,
> >
> > Good idea to pop the empty data out after the fact.  It's a nice and
> > simple fix.  There will, however, probably be a problem with the
> > residue specific data structure 'noe_r1_table[]'.  As the pop commands
> > are run, the indexes in 'noe_r1_table' will need to be changed to a
> > different integer or to None.  This structure is essential for
> > minimisation.
> >
> > It may be easier to shift your code into the file
> > 'specific_fns/relax_data.py' and into the bizarrely named function
> > 'add_residue()', probably around line 90 but before the 'num_ri' and
> > 'num_frq' assignment.  The the 'noe_r1_table' structure will then be
> > correctly constructed and you won't need an algorithm to fix the
> > structure post construction.  What do you think?
> >
> 
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