By replacing the ordered list with a vector for the vertex lookup table I could reduce the overhead of converting an OBMol into an ARGraph. The match() function is now half as fast as SmartsPattern.match().
Combined with a fingerprint screen there is no noticeable difference for reasonably specific queries. http://gist.github.com/255970 Best Regards ergo ------------------------------------------------------------------------------ This SF.Net email is sponsored by the Verizon Developer Community Take advantage of Verizon's best-in-class app development support A streamlined, 14 day to market process makes app distribution fast and easy Join now and get one step closer to millions of Verizon customers http://p.sf.net/sfu/verizon-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
