8 Commits

Author	SHA1	Message	Date
Greg Landrum	0f469bd5c4	fix and test issue 2381580	2008-12-05 14:32:39 +00:00
Greg Landrum	7c1aa77c2e	remove a compiler warning in smiles.ll; ... initial version of implementation of feature request 2047386; This all still needs some more testing	2008-08-12 05:52:25 +00:00
Greg Landrum	8867db464f	check that self bonds are not added	2008-07-16 04:00:54 +00:00
Greg Landrum	95b86eb371	"fix" issue1993296	2008-06-16 05:52:30 +00:00
Greg Landrum	148a3a87c4	add getTotalDegree() method to Atom; support generating stereochem information from 3D coords	2008-05-26 14:54:35 +00:00
Greg Landrum	4ea82818a6	switch away from using the old, unsupported boost::log stuff. ... This "lookalike" implementation is much cruder than the real thing and does not really support enabling and disabling logs, or associating them with files, but those components were not being particularly used in the RDKit anyway.	2008-04-06 09:12:02 +00:00
Greg Landrum	5d03333c22	setup svn keywords (should have done this before import... grn)	2006-05-06 22:54:39 +00:00
Greg Landrum	75a79b6327	initial import	2006-05-06 22:20:08 +00:00