Greg Landrum 11584a9067 A collection of bug fixes (#2608) ...

* Fixes #2602

* Fixes #2605

* Remove vestigial isEarlyAtom() definition in Kekulize.cpp

* Fixes #2606

* Fixes #2607

adds allowed valence 2 for Sn and Pb

* Fixes #2610

* update in response to review

2019-08-19 10:47:37 +02:00

..

Catalogs

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

ChemicalFeatures

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

cmake

cleanup to make static builds work

2019-03-31 08:22:25 +02:00

DataManip

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

DataStructs

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

Demos

Remove a bunch of Python2-related warts (#2315)

2019-03-06 20:43:49 -05:00

DistGeom

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

2018-10-11 17:35:23 -04:00

ForceField

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

Geometry

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

GraphMol

A collection of bug fixes (#2608)

2019-08-19 10:47:37 +02:00

JavaWrappers

Fixes #2532 (#2533)

2019-07-13 05:20:27 +02:00

ML

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

Numerics

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

PgSQL/rdkit

update expected SVG output from cartridge (#2520)

2019-07-13 05:16:36 +02:00

Query

Mem errors clean up (#2305)

2019-03-08 05:39:59 +01:00

RDBoost

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

RDGeneral

make boost::iostreams optional (#2440)

2019-05-13 08:55:23 +02:00

RDStreams

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

SimDivPickers

Fixes #2516 (#2519)

2019-07-13 05:16:14 +02:00

CMakeLists.txt

Adds gzstream stream, exposes to swig (#2314)

2019-03-18 05:32:42 +01:00

notes.txt

initial import

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

test_list.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00