Re: [cclib-devel] parser-refactoring

[Adam T. <a-t...@st...>]

Hi Karol,

I found a couple of problems:

1) Gaussian object has no attribute optfinished (line 77 in _extract)  
when I run PyMOlyze (and ccget) on trunk/data/Gaussian/Gaussian03/ 
Mo4OSibdt2-opt.log.bz2.

2) nstep isn't defined when I try to open trunk/data/Gaussian/ 
basicGaussian03/dvb_gopt.out with PyMOlyze. Presumably, this isn't  
seen in ccget because it doesn't use a progress class. This appears  
to be a problem with a lot of the other dvb_gopt/sp files from ADF  
and GAMESS calcs.

This is after completely removing cclib from python's site-packages  
(remove all traces of trunk) and reinstalling cclib from revision 508  
of your new branch. There's also a bunch of errors that I don't  
recall seeing from trunk/test/regression.py.

Adam

On Feb 3, 2007, at 2:50 PM, Karol Langner wrote:

> I finished refactoring the parsers in the new branch ("parser- 
> refactoring").
>
> Besides moving the loop over to the base class, most of the changes  
> were
> connected with moving bits and pieces around and turning variables  
> into class
> attributes when they're used across calls of _extract().
>
> All tests now finish like in the trunk, and the user side shouldn't  
> be any
> different than it was. Something might go wrong, though, in real-life
> situations, so I would be grateful for testing the lateset revision  
> in this
> branch with some normal usage (GassSum and, PyMOlyze?). I'm not  
> going to add
> anything new here for now.
>
> As to making _extract a dictionary of functions - from here on   
> this is
> simple, since the function is already divided into clear parts. It  
> won't
> simplify the code anymore, though, so I would leave this for the  
> future. Also
> - where would the many extracting funtions be defined? It's not a  
> good idea,
> for example, to populate the parser object with so many new  
> attrbiutes.
>
> Also changed/added:
>
> 1) Updategprogress is still needed... because alot of the parsing  
> code updates
> progress inside loops and such.
> 2) I wrote a new __setattr__ method for LogFile - it updates the  
> logger, so no
> more worrying about this in the parsers!
> 3) I also added a loop after parsing that deletes all attributes  
> that are not
> in self._nodelete (which is set utomatically), so that all the  
> temporary
> attributes used across calls of _extract() during parsing go away.
> 4) Notice that now in order for an attribute to be parsed it HAS TO  
> be added
> to LogFile._attrlist, otherwise it will get deleted, even if set by
> _extract().
>
> Looking forward to your feedback,
> Karol
>
> -- 
> written by Karol Langner
> Sat Feb  3 17:38:31 CET 2007
>
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