Re: [Rdkit-devel] Chem/Draw code: new feature and some refactoring
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2011-01-26 01:28:19
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Dear Gianluca, On Tue, Jan 25, 2011 at 6:34 AM, gi...@gm... <gi...@gm...> wrote: > 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). Thanks for this. I am traveling at the moment and probably won't have time to take a look at it until I'm back in Basel, so I won't be able to comment until the middle of next week. > 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. I will take a look when I'm back in Basel and have a bit more time and then get back to you with comments and suggestions. Thanks again for the contribution, -greg |