Greg Landrum a951abfac5 Fixes #3267 (#3284) ...

* make RDStreams work when RDK_USE_BOOST_IOSTREAMS is OFF

* indicate when the tests finish

* works. needs to be edited before final PR

* dockerfile for the stepwise commit

* typo

* Update Dockerfile

2020-07-11 13:42:32 +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

Support enumerating some mol file features into MolBundles (#3257)

2020-07-11 12:54:23 +02:00

JavaWrappers

Support enumerating some mol file features into MolBundles (#3257)

2020-07-11 12:54:23 +02:00

MinimalLib

Fixes #3267 (#3284)

2020-07-11 13:42:32 +02:00

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

Add cxsmiles query atoms to CTAB parsers and writers (#3261)

2020-07-03 12:51:19 -04:00

RDBoost

Add new CIP labelling algorithm (#3234)

2020-07-07 20:34:33 +02:00

RDGeneral

Add cxsmiles query atoms to CTAB parsers and writers (#3261)

2020-07-03 12:51:19 -04:00

RDStreams

Fixes #3267 (#3284)

2020-07-11 13:42:32 +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