[Rdkit-devel] Speeding up SMILES parsing

2012-08-28 Thread Greg Landrum
Over the past couple of days I've spent some time doing some tuning of the RDKit's SMILES parser. I made a couple of minor changes here and there and saw some improvement before making a change in the YACC grammar used to generate the parser. This made the parser source a bit more difficult to

Re: [Rdkit-devel] New MolDrawing.h

2012-08-28 Thread Greg Landrum
On Wed, Aug 15, 2012 at 6:04 AM, Greg Landrum greg.land...@gmail.com wrote: On Tue, Aug 14, 2012 at 1:20 PM, David Cosgrove davidacosgrov...@gmail.com wrote: As for the Qt demo, if it's convenient for you to do so, please do add the standard licence to the top of the files. I assume the