4 Commits

Author	SHA1	Message	Date
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	5351f6cd04	test sf.net bug 1942656: five-coordinate carbon left with stereochem ... http://sourceforge.net/tracker/index.php?func=detail&aid=1942656&group_id=160139&atid=814650	2008-04-17 05:04:28 +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	a788e29511	merge the changes from the CanonicalizerRework30Nov branch in. ... The changes are revs 451:498.	2008-01-30 14:53:04 +00:00