Re: [task #7404] Support for XYZ structure files. -- June 17, 2011 - 16:24

Hi,

Sorry, it's a bit late for the new commit message, I had already
applied it.  I meant for the future commit messages it would be good
to describe what you are trying to accomplish with the changes.

Cheers,

Edward


On 17 June 2011 16:15, Han Sun <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
> Follow-up Comment #26, task #7404 (project relax):
>
> Generating two new functions '__parse_xyz_record()' and
> 'fill_object_from_xyz()'
>
> This is Han's patchhttps://gna.org/task/download.php?file_id=13252 attached
> to the task http://gna.org/task/?7404.
>
> Two new functions '__parse_xyz_record()' and 'fill_object_from_xyz()'  were
> generated in the class 'MolContainer()' in the file
> 'generic_fns/structure/internal.py'. 'fill_object_from_xyz()' is a function
> for generating a complete Structure_container object from the given xyz
> records and '__parse_xyz_record()' for parsing the xyz record string and
> return an array of the corresponding atomic information.
>
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