7 Commits

Author	SHA1	Message	Date
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	a8ea9cba40	Clean up includes so that this might build with the gcc 4.3 series. ... This still needs to be tested on win.	2008-08-05 19:48:21 +00:00
Greg Landrum	3cd8d1cd7e	a bit of optimization and code cleanup	2008-06-27 04:13:19 +00:00
Greg Landrum	8f8a885b50	test required fp trends;some optimization work	2008-04-09 07:10:30 +00:00
Greg Landrum	3e6cb74075	cleanup and documentation changes	2007-11-14 06:09:52 +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