Re: [task #7404] Support for XYZ structure files. -- June 09, 2011 - 18:55

Oh, the next stage would be to modify this test to make it more
specific to the XYZ file added to relax, and for the new XYZ reader.
For example the user function would be called structure.read_xyz()
instead of structure.read_pdb().  Extracting the N-Ca vector probably
also doesn't need to be checked.  Once these changes are done, they
can be sent in a patch.

Regards,

Edward



On 9 June 2011 18:51, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
> Thanks!  I've now applied the patch.  Type:
>
> $ svn up
>
> and then
>
> $ svn log -v | less
>
> to see the commit.  Not how I've slightly modified the commit message
> to match the convention of
> http://www.nmr-relax.com/manual/1.3/9_4_Committers.html.
>
> Cheers,
>
> Edward
>
>
> On 9 June 2011 18:47, Han Sun <hasu@xxxxxxxxxxxxxxxxx> wrote:
> > Hi,
> >
> > The commit message:
> > In order to create a system test for reading the xyz file, a new function
> > 'test_read_xyz_internal1()' has been generated in the
> > xyz/test_suite/system_tests/structure.py. It is based on the function
> > 'test_read_pdb_internal1()'.
> >
> > Best,
> > Han
> >
> > On Jun 9, 2011, at 5:50 PM, Edward d'Auvergne wrote:
> >
> > > Hi Han,
> > >
> > > Could you come up with a simple commit message for this, that I can
> > > copy and paste?  This is described in
> > > http://www.nmr-relax.com/manual/1.3/9_4_Committers.html, if you don't
> > > know where to start.  This message will be associated with the changes
> > > in the patch file.  It's good to include any useful links, if you can
> > > think of any.  Examples are messages to the mailing list
> > > (https://mail.gna.org/public/relax-devel/).
> > >
> > > Cheers,
> > >
> > > Edward
> > >
> > >
> > > On 9 June 2011 17:46, Han Sun <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
> > > > Additional Item Attachment, task #7404 (project relax):
> > > >
> > > > File name: patch                          Size:1 KB
> > > >
> > > >
> > > >   _______________________________________________________
> > > >
> > > > Reply to this item at:
> > > >
> > > >  <http://gna.org/task/?7404>
> > > >
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