18 Commits

Author	SHA1	Message	Date
gedeck	e9af48ffd7	Issue1071/yapf (#1078) ... * Issue #1071: add yapf configuration file * yapf formatting of Code directory * yapf formatting of Contrib directory * yapf formatting of Data directory * yapf formatting of Docs directory * yapf formatting of External directory * yapf formatting of Projects directory * yapf formatting of Regress directory * yapf formatting of Scripts directory * yapf formatting of Web directory * yapf formatting of rdkit directory	2016-09-23 04:58:46 +02:00
Greg Landrum	b9ba12f8f9	Remove extra calls to python::register_exception_translator	2016-03-01 06:36:54 +01:00
Greg Landrum	79e1f8b1fa	compiles without numpy warnings, all tests pass on ubuntu 15.04 with numpy 1.10	2015-11-28 06:49:34 +01:00
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Greg Landrum	e37296d7c7	post review	2015-11-14 08:08:14 +01:00
Brian Kelley	54311dff9c	Suppresses warnings in tests	2015-10-18 16:09:58 -04:00
Brian Kelley	daa7e62258	Fixes signed conversion issues (use rdcast)	2015-10-18 15:16:38 -04:00
Brian Kelley	403a3d6b7c	Suppresses Boost warnings	2015-10-18 13:41:03 -04:00
Brian Kelley	a146c3826a	Remove unused variables/functions and register keyword	2015-10-18 10:01:00 -04:00
Greg Landrum	4a9d2cbabd	tests don't actually need static libs	2015-09-18 04:52:10 +02:00
Greg Landrum	f072c4c2b3	fix a python3 build problem	2015-09-16 14:44:50 +02:00
Greg Landrum	d854911647	further progress	2015-09-11 11:22:45 +02:00
Greg Landrum	10c57f9177	get python wrapper working and add a few tests	2015-09-11 11:22:45 +02:00
Greg Landrum	de2ae071ee	update feature defs to match intent of paper: S only an acceptor in rare cases	2015-09-11 11:22:45 +02:00
Greg Landrum	70f26f21bb	builds now	2015-09-11 11:22:45 +02:00
Greg Landrum	59b7f91102	add some testing	2015-09-11 11:22:45 +02:00
Greg Landrum	af92a112ac	seems to be working, needs tests	2015-09-11 11:21:43 +02:00
Greg Landrum	51ebc9da1e	backup commit	2015-09-11 11:21:43 +02:00