From: Egon W. <ego...@gm...> - 2010-04-17 11:54:31
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On Wed, Apr 14, 2010 at 2:05 PM, Stefan Kuhn <ste...@eb...> wrote: > Hm, google rocks. Is it intended that the class is in the smiles module? It > uses smiles a lot, true, but then "a uniform platform for structure > normalization" (quote from Egon's blog [0]) isn't so much a smiles thing. Java packages organize classes by functionality. CDK modules organize classes by dependencies. The fact that something is in the 'smiles' module, does not imply that it is not a uniform platform. The quote, btw, does not refer the platform to the class, but to the java package: "Moved Normalizer into a separate package, in reply to discussion around patch #2905749, making space for a uniform platform for structure normalization: cdk.normalize" The background behind this, as was discussed earlier, that we should get together all scattered normalization code in the CDK. This central java package can then serve as central place to find functionality related to structure normalization. Hoping this clarifies things, Egon 0.http://chem-bla-ics.blogspot.com/2010/02/cdk-132-changes.html -- 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 |