6 Commits

Author	SHA1	Message	Date
Greg Landrum	9bd4c59606	substantial optimization of SD/mol file parsing;some reformattig	2007-03-20 21:06:37 +00:00
Santosh Putta	58189509d1	Atom no long contains a d_pos data member - conformations are supposed to take care of atom positions	2006-10-19 23:37:02 +00:00
Greg Landrum	7041ae233e	handle the NoImplicit flag properly ... update aromaticity to require unsaturation at single-atom donors test the above two things This is not necessarily completely stable, but all current tests pass (once obvious changes have been made). We will just have to see where the aromaticity changes cause trouble going forward.	2006-09-19 20:20:09 +00:00
Greg Landrum	a890611a22	merge back in changes from ChemTransforms (r30:51); ... the makefile for linux is still missing (I have one, I just need to retrieve it) but otherwise this is in pretty good shape. err, I think so at least.	2006-09-15 16:44:38 +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