Greg Landrum
9cabf87374
remove vflib from Jamfiles
...
remove const specifiers from return values in DataStructs
add initial pass at query-query matching for Atoms and Bonds
fix and test for sf.net issu 2738320
add Mol.AddRecursiveQuery() method to Mol
2009-06-29 11:47:38 +00:00
Greg Landrum
029e08d6b4
merge in the changes from the 64 bit port branch r703:717
2008-06-11 05:01:17 +00:00
Greg Landrum
8b3de2e02e
Fix and test sf.net bug 1719831 ( http://sourceforge.net/tracker/index.php?func=detail&aid=1719831&group_id=160139&atid=814650 )
...
Cleanup similar issues in UniformGrid3D
MolOps.cpp: docs patch
2007-05-16 08:14:44 +00:00
Greg Landrum
46a9636b42
onbit counts in results of operator&, operator|, operator^, etc. were incorrect
2007-03-25 06:45:12 +00:00
Greg Landrum
5587bc66a7
store an explicit member with the number of on bits; this enables some forthcoming optimizations
2007-03-24 05:43:22 +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
