Greg Landrum
f3fbef45c5
update copyright statements
2010-09-26 17:04:37 +00:00
Greg Landrum
3e0d9a75d0
fix and test sf.net issue 3019283
2010-06-22 05:08:00 +00:00
Greg Landrum
0ff026f1e3
fix a silly mistake in the test for issue 2835784; trap a geometry problem
2009-10-17 06:37:27 +00:00
Greg Landrum
e1c1205fcf
silly typo fixed
2009-10-10 08:48:33 +00:00
Greg Landrum
16735a00d4
another pass at eliminating/reducing the number of trans amides generated
2009-10-02 06:48:52 +00:00
Greg Landrum
74d4dba964
fix and test sf.net issue 2835784;
...
this should make embedded geometries of fused rings (and around rings)
much better
2009-10-02 04:58:50 +00:00
Greg Landrum
96adbc11ea
remove the deprecated assign{Atom,Bond}ChiralCodes functions
2009-08-02 15:33:08 +00:00
Greg Landrum
02bcdcaaa3
further robustification in the face of bad parameters
2009-04-13 15:10:47 +00:00
Greg Landrum
ac6fc48f37
partial fix for issue 2757824; more testing required
2009-04-13 11:53:51 +00:00
Greg Landrum
e05580e495
This is a sizeable one: change the way BGL is used so that atoms and bonds are stored as bundled properties
...
instead of using the property map interface.
A nice side-effect is that the wart of having to use property maps to loop over bonds or atom neighbors
is now gone.
This potentially breaks lots of client C++ code.
2009-02-11 20:19:25 +00:00
Greg Landrum
ff0d557274
fix and test sf.net issue 2091864
2008-09-23 09:46:58 +00:00
Greg Landrum
a3e6cb057e
this is a mass of cleanup stuff; mostly line endings
2008-07-07 13:21:24 +00:00
Greg Landrum
e8f3536845
remove a bunch of compiler warnings
2008-05-26 20:05:57 +00:00
Greg Landrum
1d40302dcb
This builds and tests correctly with msvc8. Linux and msvc7 tests are still required.
...
The primary changes consist of cleaning up edge cases that lead to memory errors (under VC8 with debugging turned out)
2008-02-16 05:25:53 +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
