Paolo Tosco 1bd39b2ad2 only test InChI functionality if it was built into JS MinimalLib (#7706) ...

Co-authored-by: ptosco <paolo.tosco@novartis.com>

2024-08-13 06:02:49 +02:00

..

Catalogs

Reformat C/C++ code ahead of 2023.03 release (#6295)

2023-04-28 04:42:35 +02:00

ChemicalFeatures

Cleaner forloops, deleting of empty header file (#7320)

2024-04-07 05:41:29 +02:00

cmake

Update CMake modules for finding flex and bison(#7590) (#7591)

2024-07-10 05:56:07 +02:00

DataManip

Cleaner forloops, deleting of empty header file (#7320)

2024-04-07 05:41:29 +02:00

DataStructs

Fixes github #7533 (#7539)

2024-06-20 09:27:27 +02:00

Demos

Remove boost::regex support #6817 (#6913)

2023-11-21 07:58:29 +01:00

DistGeom

Fix some missing headers when doing "make install" (#7667)

2024-07-25 11:07:03 -04:00

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

Make sure angleconstraints only take angles between 0 and 180 degrees. (#7688)

2024-08-10 06:32:25 +02:00

Fuzz

Run clang-format against cpp (#4358)

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

Geometry

Geometry (#7433)

2024-07-08 15:29:14 +02:00

GraphMol

Removes call to debugMol that logs to std::err (#7690)

2024-08-06 15:41:56 +02:00

JavaWrappers

Extend RDKit::MolStandardize with a validation and standardization Pipeline (#7582)

2024-07-30 17:09:16 +02:00

MinimalLib

only test InChI functionality if it was built into JS MinimalLib (#7706)

2024-08-13 06:02:49 +02:00

ML

Add Python modules to generate stubs and automatically patch docstrings (#6919)

2023-11-30 04:54:18 +01:00

Numerics

fixes #7083 (#7084)

2024-01-23 13:17:30 +01:00

PgSQL/rdkit

Fixes #7675 (#7680)

2024-08-02 09:24:34 +02:00

Query

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

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

RDBoost

Fix some missing headers when doing "make install" (#7667)

2024-07-25 11:07:03 -04:00

RDGeneral

Fix parsing RBCNT from mol files, and add exporting it (#7638)

2024-07-25 04:54:46 +02:00

RDStreams

cmake cleanup (#6814)

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

SimDivPickers

fix check (#7002)

2023-12-22 05:02:38 +01:00

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