David Cosgrove d32cf91c2c Fix bug in bond joins (#5482) ...

* Fix bug in smoothBondJoins caused by not clearing singleBondLines_ in resetEverything.
Updated test results.

* Changes as result of review.

Co-authored-by: David Cosgrove <david@cozchemix.co.uk>

2022-08-03 13:16:49 +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 #5210 (#5408)

2022-07-11 11:20:03 +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

fix doxygen comments (#5254)

2022-07-11 13:55:35 +02:00

Fuzz

Run clang-format against cpp (#4358)

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

Geometry

fix doxygen comments (#5254)

2022-07-11 13:55:35 +02:00

GraphMol

Fix bug in bond joins (#5482)

2022-08-03 13:16:49 +02:00

JavaWrappers

Fixes #5210 (#5408)

2022-07-11 11:20:03 +02:00

MinimalLib

Remove obsolete files related to rdkit-js + write a rescoped README for MinimalLib (#5432)

2022-07-24 06:46:35 +02:00

ML

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

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

Numerics

fix doxygen comments (#5254)

2022-07-11 13:55:35 +02:00

PgSQL/rdkit

Fixes #5234 (#5415)

2022-07-26 02:39:21 -04:00

Query

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

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

RDBoost

Fixes #5210 (#5408)

2022-07-11 11:20:03 +02:00

RDGeneral

Fixes #5210 (#5408)

2022-07-11 11:20:03 +02:00

RDStreams

switch to using target_compile_definitions instead of add_definitions (#3350)

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

SimDivPickers

Fixes #5210 (#5408)

2022-07-11 11:20:03 +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