Greg Landrum c26cbc26cb switch to using references to smart pointers for the Match functions; ...

really ought to re-examine when/how we are passing smart pointers
 around in general, but that is a bigger job.
Ref: http://herbsutter.com/2013/06/05/gotw-91-solution-smart-pointer-parameters/

2014-05-10 06:21:27 +02:00

..

Catalogs

more on #204

2014-02-06 06:43:28 +01:00

ChemicalFeatures

add (optional) ids to ChemicalFeatures; contributed by JP Ebejer

2012-04-21 03:41:53 +00:00

cmake/Modules

support running tests when building inside the source tree on windows

2014-04-12 15:24:29 +02:00

DataManip

remove exe property from source files

2011-01-13 04:22:56 +00:00

DataStructs

explicit bitvect with all ones updated

2014-04-09 07:37:08 +02:00

Demos

boost_system not required

2014-01-04 16:48:57 +01:00

DistGeom

Fixes #167

2013-11-27 07:26:05 +01:00

doxygen

update doxygen files and add new logo without text

2013-07-11 07:19:33 +02:00

Features

add missing headers for "make install"

2013-02-05 04:57:59 +00:00

ForceField

code cleanup: removing compiler warnings

2014-05-08 06:06:07 +02:00

Geometry

more on #204

2014-02-06 06:43:28 +01:00

GraphMol

switch to using references to smart pointers for the Match functions;

2014-05-10 06:21:27 +02:00

JavaWrappers

add a leak test for the reaction swig wrapper; it is disabled by default

2014-05-03 07:55:39 +02:00

ML

Fixes #37

2014-05-01 07:16:03 +02:00

Numerics

code cleanup: removing compiler warnings

2014-05-08 06:06:07 +02:00

PgSQL/rdkit

add tests for indexing on maccs

2014-05-09 18:17:27 +02:00

Query

make query description handling more efficient

2013-12-14 09:31:41 +01:00

RDBoost

Fix #63

2013-07-05 05:20:15 +02:00

RDGeneral

some cleanups areound the Invariant code

2014-01-01 16:39:53 +01:00

SimDivPickers

docstring cleanup

2012-01-07 15:10:42 +00:00

CMakeLists.txt

add missing headers for "make install"

2013-02-05 04:57:59 +00:00

notes.txt

initial import

2006-05-06 22:20:08 +00:00

test_list.py

get geometry tests working on mac and include them in the default build

2009-10-02 10:12:46 +00:00