Paolo Tosco dbaff21056 - fixed a few missing "const" declarations on "get" functions

2016-02-21 21:24:56 +00:00

..

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

removed bare except statements

2015-09-07 13:27:14 +02:00

DataManip

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

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

DataStructs

switch to using builtin_popcountll

2016-01-22 16:07:28 -05:00

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

Fixes #696

2015-12-11 05:58:28 +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

Deleted accidentally pushed irrelevant files

2016-02-09 10:18:04 +02:00

Geometry

first pass, using google style

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

GraphMol

- fixed a few missing "const" declarations on "get" functions

2016-02-21 21:24:56 +00:00

JavaWrappers

Gets Java wrappers building with modern C++ compilers and recent versions of boost

2016-02-18 06:24:42 +01:00

ML

require numpy 1.7, not 1.8

2015-12-01 04:39:28 +01:00

Numerics

A bit of minor optimization

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

PgSQL/rdkit

support providing InChI (or InChI key) generation options in cartridge

2016-02-06 05:50:23 +01:00

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

avoid the multiple definition of rdkitVersion/boostVersion

2016-02-10 12:18:50 +01:00

SimDivPickers

require numpy 1.7, not 1.8

2015-12-01 04:39:28 +01:00

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