Hi Egon,
On 15 March 2011 15:52, Egon Willighagen <egon.willigha...@gmail.com> wrote:
> Hej Nina,
>
> On Tue, Mar 15, 2011 at 2:47 PM, Nina Jeliazkova
> <jeliazkova.n...@gmail.com> wrote:
> > Being aware it might be controversial and / or time consuming redesign,
> > can't help to throw this idea in:
>
> :)
>
> > 1) Having iterating readers as the basis of all full-file readers, with
> > basic functionality just splitting the file into records and providing
> text
> > buffers for each record iteratively.
>
> I like that idea. Can you file a feature request for that against master?
>
>
Sure.
> > 2) Simple "one-record" readers for actually parsing the one-record
> content
> > into a chemical object in memory
>
> Not sure what you mean here...
>
Iterative readers themselves may not parse anything, just split the file
into records (e.g. by $$$$ for SDF or \n for text files flavours) .
Thus, the cheminf functionality is only limited to reading a single record
(e.g. MOL or one record content in SDF, or one line of SMILES file ). XML
(e.g. CML) is a bit more tricky, but feasible.
As a side effect one could have iterating reader over multiple mol files in
a folder, or an iterating reader over a web service :)
>
> > Thus, iterative readers could be the default, and other readers, loading
> all
> > the file in memory, are built on top of them, and used only when really
> > necessary.
>
> We only have three iterating readers! :)
>
>
Well, there are quite a few in Ambit code ... hardly using anything else.
Nina
> Egon
>
> --
> Dr E.L. Willighagen
> Postdoctoral Researcher
> Institutet för miljömedicin
> Karolinska Institutet
> Homepage: http://egonw.github.com/
> LinkedIn: http://se.linkedin.com/in/egonw
> Blog: http://chem-bla-ics.blogspot.com/
> PubList: http://www.citeulike.org/user/egonw/tag/papers
>
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