Brian Kelley c1d3b1f980 fix molstogridimage on certain fragments/smarts patterns (#3217) ...

* Fix issues with rendering fragments/smarts patterns in MolsToGridImage

* Add LogStatus and BlockLogs functionality to temporarily block logging

* Move BlockLogs to C++

* Fix kekulization errors in reactions

* Reenable tests

* Use using over typedef

* Fix comment placement

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

2020-06-27 06:30:01 +02:00

..

boost/serialization

Mem checkup (#3083)

2020-04-17 17:48:58 +02:00

Catalogs

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

ChemicalFeatures

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

cmake

fix a small inconsistency in the name of the inchi package (#3182)

2020-05-25 09:08:17 +02:00

DataManip

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

DataStructs

Cleanup warnings from clang-10 (#3238)

2020-06-19 17:16:22 -04:00

Demos

Avoid C preprocessor macros (#3138)

2020-05-05 08:08:20 +02:00

DistGeom

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

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

Cleanup warnings from clang-10 (#3238)

2020-06-19 17:16:22 -04:00

Fuzz

Update fuzzer dict (#3162)

2020-05-13 06:52:36 +02:00

Geometry

Cleanup warnings from clang-10 (#3238)

2020-06-19 17:16:22 -04:00

GraphMol

fix molstogridimage on certain fragments/smarts patterns (#3217)

2020-06-27 06:30:01 +02:00

JavaWrappers

Tautomer search (#3205)

2020-06-24 17:27:40 +02:00

MinimalLib

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

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

ML

Modernization: use nullptr (#3143)

2020-05-25 09:40:01 +02:00

Numerics

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

PgSQL/rdkit

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

Query

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

RDBoost

fix molstogridimage on certain fragments/smarts patterns (#3217)

2020-06-27 06:30:01 +02:00

RDGeneral

fix molstogridimage on certain fragments/smarts patterns (#3217)

2020-06-27 06:30:01 +02:00

RDStreams

Set RDK_BOOST_VERSION to pass minimum required version to FindBoost (#3074)

2020-05-05 04:41:25 +02:00

SimDivPickers

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

CMakeLists.txt

Add Fuzzing, fixes #2857 (#3128)

2020-05-08 17:16:43 +02:00

notes.txt

Unset executable flag

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