Ricardo Rodriguez a44cbe8699 Fixes #7685 (#7864) ...

* replace lists with vectors

* remove redundant assign loop

2024-09-29 05:23:24 +02:00

..

Catalogs

Run clang-format across everything (#7849)

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

ChemicalFeatures

Run clang-format across everything (#7849)

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

cmake

Some cmake cleanup work (#7720)

2024-08-16 17:11:31 +02:00

DataManip

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

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

DataStructs

Run clang-format across everything (#7849)

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

Demos

Run clang-format across everything (#7849)

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

DistGeom

Ensure 13 bounds constraints are added to angles that are part of an improper torsion (#7729)

2024-08-21 16:06:29 +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

Run clang-format across everything (#7849)

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

Fuzz

Run clang-format against cpp (#4358)

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

Geometry

Run clang-format across everything (#7849)

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

GraphMol

Fixes #7685 (#7864)

2024-09-29 05:23:24 +02:00

JavaWrappers

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

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

MinimalLib

Run clang-format across everything (#7849)

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

ML

Run clang-format across everything (#7849)

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

Numerics

Run clang-format across everything (#7849)

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

PgSQL/rdkit

Run clang-format across everything (#7849)

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

Query

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

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

RDBoost

Run clang-format across everything (#7849)

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

RDGeneral

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +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