[Rdkit-devel] Chem/Draw code: new feature and some refactoring
Open-Source Cheminformatics and Machine Learning
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From: <gi...@gm...> - 2011-01-25 11:35:08
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I've been working lately on adding a feature to the draw code, that is, highlighting atoms by an arbitrary color. This work lead me to some refactoring to the Chem/Draw python code; basically, I added a base canvas class that specialized classes derives to draw on different backends (agg, sping, cairo). I'm sharing it now because the Q4 release was done, so it looks a good timing to eventually drop some new code in the repo and avoid the need to rebase my changes when you make commits to the main SVN repo. So, the code is in my github space here: https://github.com/giallu/rdkit/commits/draw_refactor where you can find the current status and the individual commits; if needed I can send a patch series on this list instead. I'm obviously open to any code review questions and willing to revise my changes in case you want any improvement before considering a merge. Best regards G. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu |