Commit Graph

11 Commits

Author SHA1 Message Date
Greg Landrum
3e00673a28 A couple of chemical feature related enhancements (#2078)
* fixes #1636
a bit of refactoring of the tests

* Fixes #2077
Add better confId handling to the chemical feature machinery
2018-10-01 17:38:36 +02:00
Greg Landrum
915cf08faa run clang-format with c++-11 style over that 2017-04-22 17:19:10 +02:00
Greg Landrum
7c0bb0b743 clang-tidy output 2017-04-22 17:09:24 +02:00
Greg Landrum
e08e0d16d8 first pass, using google style 2015-11-14 14:58:11 +01:00
Greg Landrum
45a0d50278 add (optional) ids to ChemicalFeatures; contributed by JP Ebejer 2012-04-21 03:41:53 +00:00
Greg Landrum
f3fbef45c5 update copyright statements 2010-09-26 17:04:37 +00:00
Greg Landrum
30fe77b609 initial commit: passes all tests and seems to be faster than the original code 2009-02-09 16:19:31 +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
88d596abca get the AR_MOLGRAPH caching write with substructs; the current implementation introduces a core leak, so it is disabled by default 2006-10-19 05:24:05 +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