Paolo Tosco b74a4aeb4c Fixes a few bugs in the R-group decomposition code (#3497) ...

* - Fixes three bugs in the R-group decomposition code

* - delete iterator properly during loop so the Mac does not complain

* added more tests

Co-authored-by: user173873 <user173873@FF026.local>

2020-10-19 07:46:06 -04:00

..

boost/serialization

Mem checkup (#3083)

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

Catalogs

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

ChemicalFeatures

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

cmake

Avoid really slow Windows conda builds (#3287)

2020-07-13 14:47:29 +02:00

DataManip

Modernize deprecated header inclusion (#3137)

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

DataStructs

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

Demos

Avoid C preprocessor macros (#3138)

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

DistGeom

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +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

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

Fuzz

Update fuzzer dict (#3162)

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

Geometry

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

GraphMol

Fixes a few bugs in the R-group decomposition code (#3497)

2020-10-19 07:46:06 -04:00

JavaWrappers

Add support for abbreviations (#3406)

2020-09-28 17:09:46 -04:00

MinimalLib

add coordgen support to demo.html (#3453)

2020-10-01 17:45:03 +02:00

ML

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

Numerics

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

PgSQL/rdkit

update expected cartridge test results (#3484)

2020-10-12 16:09:03 +02:00

Query

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

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

RDBoost

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

RDGeneral

[GSoC-2020] Generalized and Multithreaded File Reader (#3363)

2020-10-09 04:31:05 +02:00

RDStreams

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +02:00

SimDivPickers

switch to using target_compile_definitions instead of add_definitions (#3350)

2020-08-21 04:49:07 +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