Re: [task #7404] Support for XYZ structure files. -- June 09, 2011 - 20:06

Hi,

That was nicely done with the commit message and change!  I only had
to modify the last sentence so that it was max 100 characters wide
(easy to do in vi).  I would make one recommendation, and that is the
option parser='internal' to the structure.read_xyz() user function
could be deleted.  This is only used in the structure.read_pdb()
function to choose between the parser I wrote myself ('internal') or
the Scientific Python parser ('scientific', see
http://dirac.cnrs-orleans.fr/plone/software/scientificpython/).

Cheers,

Edward



On 9 June 2011 19:12, Han Sun <hasu@xxxxxxxxxxxxxxxxx> wrote:
> The commit message:
>
> Changed paths:
>   M /branches/xyz/test_suite/system_tests/structure.py
>
> Modifying the function test 'test_read_xyz_internal1()'.
>
> This is Han's patch https://gna.org/task/download.php?file_id=13144 attached
> to the task
> http://gna.org/task/?7404.
>
> The function 'test_read_xyz_internal1()' was modified so that it is more
> specific to the XYZ file added to relax and for the new XYZ reader.
>
>
>
>
> On Jun 9, 2011, at 7:07 PM, Han Sun wrote:
>
> > Additional Item Attachment, task #7404 (project relax):
> >
> > File name: patch                          Size:1 KB
> >
> >
> >    _______________________________________________________
> >
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> >
> >  <http://gna.org/task/?7404>
> >
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