Hi Tim, I was looking through the new canon.cpp code, and it looks like a huge improvement over the original, and the tests we've been running are confirming this. This is a big step forward.
But I noticed a rather alarming lack of comments in the new code. There are some unfinished general comments towards the end of the file, but the various data structs and methods aren't explained, and I couldn't find anything about the overall algorithms you've implemented. The reason this came up was because of the "c1(ccccc1)O" or "ugly SMILES" bug. I was hoping to be able to look at your new code and make some suggestions, but after an hour or two of scratching my head I was still lost. I hope you'll have some time to write down all of the knowledge you put into the new canon.cpp code. Thanks, Craig ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today. http://p.sf.net/sfu/beautyoftheweb _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
