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
