Re: [cclib-devel] how I use cclib

[Karol L. <kar...@kn...>]

On Tuesday 12 June 2007 18:45, Noel O'Boyle wrote:
> On 06/06/07, Karol Langner <kar...@kn...> wrote:
> > There is another thing I wanted to share/discuss. I have a little thing I
> > use to store my output data in XML files, which is something that was
> > brought up before. It's not compatible with cclib in its present form,
> > since I have been using it with scripts I wrote before I knew about
> > cclib. I would like to base it on cclib objects, though. When I do this,
> > maybe it could be a starting point for adding a similiar functionality to
> > cclib.
>
> I see that resistance is futile. :-) Here are some ideas:
It's just an idea :) cclib has already made my processing output more 
efficient, so I am willing to contribute more to it.

> (1) pprint the attributes to a file. This can be evaluated in Python.
> (2) JSON it to a file (http://www.json.org/). This can be read by
> several languages (apart from Javascript), and is great for
> webservices (e.g. we can put a webservice on SF). In fact, according
> to http://effbot.org/zone/delicious-json.htm it can simply be
> evaluated in Python.
> (3) Don't use XML. Use something like Gaussian formatted checkpoint,
> but with comments in the file that describe what the data in the file
> is. E.g. the file format would be self-describing with units,
> descriptions of the data, description of the data format.
All good points. Of course, i will probably be a while before I have the time 
actually get into this.

-- 
written by Karol Langner
Tue Jun 12 22:11:30 CEST 2007