On Dec 2, 2016, at 10:05 PM, Brian Kelley wrote: > Here is a very old version of Andrew's parser in code form: ... It was fairy > well tested on the sigma catalog back in the day. It might be fun to > resurrect use it in some form.
There's also my OpenSMILES parser written for Ragel: https://bitbucket.org/dalke/opensmiles-ragel Taking that path goes more along the lines of what NextMove has done. BTW, upon consideration, >> [^]]* # ignore anything up to the ']' should be more restrictive and exclude '[', ' ', newline ... or really, only allow those characters which are valid after the element (+, -, 0-9, @, :, T, H, and a few others). The exercise is left for the students. ;) Andrew da...@dalkescientific.com ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
