Greg Landrum 5712176605 Implement the two deprecations that were planned for the 2020.09 release cycle (#3047) ...

* Deprecation: planned removal of .message() and .getMessage() methods

* Deprecation: planned removal of old MolHash code

* document deprecations

* output the diffs when the psql tests fail

* remove .message() from SWIG wrappers

note that the KeyError doesn't work properly. We should clean up the the exceptions here anyway

* typo

2020-04-01 14:30:07 +02:00

..

Catalogs

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

ChemicalFeatures

Cleanups and additional tests to improve test coverage (#2852)

2020-01-09 16:07:55 -05:00

cmake

Update Maeparser & Coordgen Dependencies (#3011)

2020-03-17 13:50:57 +01:00

DataManip

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

DataStructs

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

Demos

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

DistGeom

Improve Conformational Sampling of Small and Large Ring Molecules (#2999)

2020-03-23 14:57:46 +01:00

doxygen

update doxygen files and add new logo without text

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

Features

Cleanups and additional tests to improve test coverage (#2852)

2020-01-09 16:07:55 -05:00

ForceField

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

Geometry

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

GraphMol

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

JavaWrappers

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

MinimalLib

add add_hs() and remove_hs() to JS wrappers (#2986)

2020-03-05 15:27:48 +01:00

ML

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

Numerics

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

PgSQL/rdkit

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

Query

Cleanups and additional tests to improve test coverage (#2852)

2020-01-09 16:07:55 -05:00

RDBoost

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

RDGeneral

Implement the two deprecations that were planned for the 2020.09 release cycle (#3047)

2020-04-01 14:30:07 +02:00

RDStreams

Get zlib-free linking working on windows (#2729)

2019-10-24 13:36:24 +02:00

SimDivPickers

Removed dllexport from a function that lives in the anonymous namespace (#3027)

2020-03-23 15:07:51 +01:00

CMakeLists.txt

Add minimal JavaScript wrapper (#2444)

2019-06-06 08:45:21 +02:00

notes.txt

Unset executable flag

2019-10-10 20:18:43 +09:00