cc:jmol-developer (following Angel)

Hi Angel, Chris,

> From: Christoph Steinbeck <steinb...@ebi.ac.uk>
> We need to be careful with statements about what "should be possible"
> until we've done it. :-)

True :)

> I'm more than happy to finance a little workshop here at the EBI or in
> Uppsala to work on a scheme to make the applet very small.

I'm happy to come over to the EBI once more. It has been a while. Of
course, you (plural) are most welcome in Uppsala too!

> Be aware, however, that *always* we rely on modules of the CDK which come in 
> jars
> of a given size and determine the size of the load-on-demand-chunks I
> mentioned above.

Indeed. But with some work, CDK master is increasing modular, and we
can now easily work out a custom IChemObjectBuilder with a limited set
of IChemObject classes (around IMolecule). This is actually one of the
advantages of the new IChemObjectBuilder API, with the single
newInstance() method: it no longer has the interfaces hardcoded; the
current cdk-interfaces.jar is 28kB already, but by focusing on just
the IMolecule, and looking at the jar content, I think that can be
reduced by 50%.

But, generally, we will have to cherry-pick, but I think the current
indexing does this already. The latter should actually take immediate
benefit from the new builder, though this might be balanced by the IO
classes often offering support for reading into a IChemFile...

Bottom line is, reducing the size does require serious design issues
in the CDK... I have applied some of them earlier (IChemObject, new
LoggingToolFactory), and we can do more.

I have also plans to move around the IsotopeFactory, which is a large
blog. There are a couple of options there. It requires some serious
hacking, but very much possible.

Another large part of the 540kB was the RenderingModel, which is now
being refactored to be modular (at about 50% or so), which will reduce
the size; once we finished doing the same for the ControllerModule,
that will be another reduction.

Of course, this does not say much about *where* we'll end up, but the
size can be reduced. My aim for a simple molecular structure drawing
applet would be <100kB, but half the current size would already be
quite nice :)

Egon

-- 
Post-doc @ Uppsala University
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers

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