Brian Kelley 87dda6acd2 Fixes #1735 (#1743) ...

* Fixes #1735

I’m unsure if this is the correct solution, it appears
empty molecules never initialize their rings.

* Return immediately when ranking empty molecules

* Make github issue the correct one

* Always resize results to the number of atoms

2018-02-15 05:39:02 +01:00

..

Catalogs

Fix/urange check (#1506)

2017-09-11 21:17:33 +02:00

ChemicalFeatures

Cleanup a bunch of compiler warnings (#1697)

2017-12-22 12:59:52 +01:00

cmake/Modules

fix an irritating cmake problem (#1715)

2018-01-10 16:14:58 -05:00

DataManip

Use numpy not numeric for boost 1.65+ - fixes #1581 (#1664)

2017-11-20 05:44:19 +01:00

DataStructs

Cleanup a bunch of compiler warnings (#1697)

2017-12-22 12:59:52 +01:00

Demos

Use numpy not numeric for boost 1.65+ - fixes #1581 (#1664)

2017-11-20 05:44:19 +01:00

DistGeom

Cleanup a bunch of compiler warnings (#1697)

2017-12-22 12:59:52 +01:00

doxygen

update doxygen files and add new logo without text

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

Features

Issue1071/yapf (#1078)

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

ForceField

Integrate Coordgen (#1708)

2018-02-15 05:36:03 +01:00

Geometry

run clang-format with c++-11 style over that

2017-04-22 17:19:10 +02:00

GraphMol

Fixes #1735 (#1743)

2018-02-15 05:39:02 +01:00

JavaWrappers

Integrate Coordgen (#1708)

2018-02-15 05:36:03 +01:00

ML

Merge branch 'master' into modern_cxx

2017-10-05 05:58:38 +02:00

Numerics

Use numpy not numeric for boost 1.65+ - fixes #1581 (#1664)

2017-11-20 05:44:19 +01:00

PgSQL/rdkit

Integrate Coordgen (#1708)

2018-02-15 05:36:03 +01:00

Query

clang-tidy output

2017-04-22 17:09:24 +02:00

RDBoost

replace the usage of rdk_auto_ptr with std::unique_ptr (#1752)

2018-02-14 19:49:47 -05:00

RDGeneral

Fixes #1728 (#1731)

2018-02-10 06:16:44 +01:00

SimDivPickers

Use numpy not numeric for boost 1.65+ - fixes #1581 (#1664)

2017-11-20 05:44:19 +01:00

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

Issue1071/yapf (#1078)

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