tadhurst-cdd 3f60cb5674 Fix for Issue 8602 (#8668) ...

* Fix for Issue 8602

* Simlified generation of 3d from of ref for atropisomers

2025-08-20 10:10:47 +02:00

..

Catalogs

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

ChemicalFeatures

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

cmake

rdkit-targets.cmake now uses cmake package names for external libraries instead of absolute paths (#8552)

2025-05-24 07:27:03 +02:00

DataManip

One final round of mem errors (#7943)

2024-10-29 06:46:43 +01:00

DataStructs

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

Demos

remove no-op macros and dead code (pt 4) (#8037)

2025-01-26 07:49:50 +01:00

DistGeom

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

ForceField

Small cleanups of the MMFF94 code (#8593)

2025-06-24 08:07:51 +02:00

Fuzz

Run clang-format against cpp (#4358)

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

Geometry

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

GraphMol

Fix for Issue 8602 (#8668)

2025-08-20 10:10:47 +02:00

JavaWrappers

Fixes #8654 (#8657)

2025-07-30 05:56:52 +02:00

MinimalLib

Add option to draw all CIP codes in DrawMol.cpp (#8609)

2025-07-24 16:46:15 +02:00

ML

... and more mem errors fixed (#7924)

2024-10-25 07:01:34 +02:00

Numerics

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

PgSQL/rdkit

Make Cartridge @= operator coordinate agnostic (#8488)

2025-05-01 05:21:08 +02:00

Query

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +02:00

RDBoost

style: apply modernize-use-override (#8137)

2025-04-25 12:24:58 +02:00

RDGeneral

Mem fixes (#8640)

2025-07-21 05:57:50 +02:00

RDStreams

cmake cleanup (#6814)

2023-11-10 15:32:54 +01:00

SimDivPickers

Switch a bunch of C++ tests to use catch2 (#8625)

2025-07-18 11:50:38 +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