Commit Graph

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