Greg Landrum 3e00673a28 A couple of chemical feature related enhancements (#2078) ...

* fixes #1636
a bit of refactoring of the tests

* Fixes #2077
Add better confId handling to the chemical feature machinery

2018-10-01 17:38:36 +02:00

..

Catalogs

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

ChemicalFeatures

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

cmake/Modules

Start to use Catch2 for new tests (#1732)

2018-09-04 10:32:17 -04:00

DataManip

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

DataStructs

Part of a fix for #1993 (#1994)

2018-08-12 17:04:01 -04:00

Demos

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

DistGeom

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

ForceField

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

Geometry

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

GraphMol

A couple of chemical feature related enhancements (#2078)

2018-10-01 17:38:36 +02:00

JavaWrappers

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

ML

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

Numerics

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

PgSQL/rdkit

update expected cartridge regression results

2018-08-16 05:22:39 +02:00

Query

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

RDBoost

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

RDGeneral

Fix memory leak in Dict operator= (#2061)

2018-09-28 14:03:04 +02:00

SimDivPickers

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

CMakeLists.txt

- enable building DLLs on Windows (#1861)

2018-05-16 08:42:41 +02:00

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