Greg Landrum cb0f48388a Prevent wedging ring bonds (#5356) ...

* a bit of modernization

* change weighting preferences for wedging bonds

Really try not to wedge ring bonds.

2022-06-09 04:51:32 +02:00

..

Catalogs

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

ChemicalFeatures

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

cmake

make the catch tests build faster (#5284)

2022-05-17 04:39:33 +02:00

DataManip

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

DataStructs

Fixes multiple definitions of symbols (#5202)

2022-04-16 07:21:15 +02:00

Demos

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

DistGeom

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

ForceField

fixes #5252 (#5271)

2022-05-08 09:34:02 +02:00

Fuzz

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

Geometry

make the catch tests build faster (#5284)

2022-05-17 04:39:33 +02:00

GraphMol

Prevent wedging ring bonds (#5356)

2022-06-09 04:51:32 +02:00

JavaWrappers

Swig MolDraw2D cairo (#5128)

2022-03-24 05:54:12 +01:00

MinimalLib

fix bin command for node in minimallib Dockerfile (#5349)

2022-06-06 06:24:20 +02:00

ML

Run clang-tidy (readability-braces-around-statements) (#4977)

2022-03-10 08:00:10 +01:00

Numerics

Initial support for non-tetrahedral stereochemistry (#5084)

2022-05-20 09:07:16 +02:00

PgSQL/rdkit

Fixes #5095 (#5096)

2022-03-17 16:36:30 +01:00

Query

clang-tidy: readability-simplify-boolean-expr (#4639)

2022-03-17 13:50:50 +01:00

RDBoost

Fixes #5172 (#5181)

2022-04-12 05:57:25 +02:00

RDGeneral

Initial support for non-tetrahedral stereochemistry (#5084)

2022-05-20 09:07:16 +02:00

RDStreams

switch to using target_compile_definitions instead of add_definitions (#3350)

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

SimDivPickers

make the catch tests build faster (#5284)

2022-05-17 04:39:33 +02:00

CMakeLists.txt

MinimalLib: add CFFI interface (#4018)

2021-04-15 21:33:52 +02:00

notes.txt

Unset executable flag

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