Greg Landrum 88e193269d Fixes github #1073 (#1074) ...

* Fixes #1073

* add a tests for #1073

2016-10-10 10:21:57 +02:00

..

Catalogs

first pass, using google style

2015-11-14 14:58:11 +01:00

ChemicalFeatures

first pass, using google style

2015-11-14 14:58:11 +01:00

cmake/Modules

Fix Inchi being hardcoded into PostgreSQL (#1009)

2016-08-18 11:49:30 +02:00

DataManip

Remove extra calls to python::register_exception_translator

2016-03-01 06:36:54 +01:00

DataStructs

Get things building with gcc4.4 on centos6

2016-04-17 11:48:35 -04:00

Demos

compiles without numpy warnings, all tests pass on ubuntu 15.04 with numpy 1.10

2015-11-28 06:49:34 +01:00

DistGeom

Remove extra calls to python::register_exception_translator

2016-03-01 06:36:54 +01:00

doxygen

update doxygen files and add new logo without text

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

Features

first pass, using google style

2015-11-14 14:58:11 +01:00

ForceField

another batch of warnings squashed

2016-03-30 13:44:21 +02:00

Geometry

Remove extra calls to python::register_exception_translator

2016-03-01 06:36:54 +01:00

GraphMol

Fixes github #1073 (#1074)

2016-10-10 10:21:57 +02:00

JavaWrappers

Fix leak with renumberAtoms() in the SWIG wrappers (#1064)

2016-10-10 10:21:38 +02:00

ML

Remove extra calls to python::register_exception_translator

2016-03-01 06:36:54 +01:00

Numerics

A bit of minor optimization

2015-12-07 04:25:56 +01:00

PgSQL/rdkit

fix a cartridge test broken by #986

2016-08-21 05:58:13 +02:00

Query

Adds rdcasts where appropriate

2015-11-29 17:52:27 -05:00

RDBoost

rename rdk_unique_ptr to rdk_auto_ptr

2016-02-13 14:58:35 +01:00

RDGeneral

Get things building with gcc4.4 on centos6

2016-04-17 11:48:35 -04:00

SimDivPickers

Merge pull request #797 from greglandrum/fix/cleanup_register_execption

2016-03-12 08:03:45 -05:00

CMakeLists.txt

- added support for building the rdkit PostgreSQL cartridge within CMake

2016-02-21 22:00:10 +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