Greg Landrum ecf5a67acc Fixes #2437 (#2438) ...

* Fixes #2437

getting the canonical atom ranking no longer results in molecules have a
RingInfo structure that's been initialized but contains nothing.

* update expected results for the MMPA tests

2019-05-10 08:25:31 +02:00

..

Catalogs

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

ChemicalFeatures

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

cmake

cleanup to make static builds work

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

DataManip

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

DataStructs

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

Demos

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

DistGeom

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

doxygen

update doxygen files and add new logo without text

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

Features

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

ForceField

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

Geometry

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

GraphMol

Fixes #2437 (#2438)

2019-05-10 08:25:31 +02:00

JavaWrappers

make this work when iostreams is being used

2019-05-09 08:12:19 +02:00

ML

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

Numerics

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

PgSQL/rdkit

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

Query

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

RDBoost

Allow C RNG to be initialized from Python (#2376)

2019-03-30 08:43:41 -04:00

RDGeneral

make iostreams optional

2019-05-08 17:33:17 +02:00

RDStreams

make this work when iostreams is being used

2019-05-09 08:12:19 +02:00

SimDivPickers

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

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