Brian Kelley ecdf55ac2a Fixes a boundary issue when indexing SDF (#9162) ...

* Fixes an index boundary error in SDMolSupplier

* Add test data

* Run clang-format

* Update Code/GraphMol/FileParsers/testMolSupplier.cpp

Co-authored-by: Ricardo Rodriguez <ricrogz@users.noreply.github.com>

* Update Code/GraphMol/Wrap/rough_test.py

Co-authored-by: Ricardo Rodriguez <ricrogz@users.noreply.github.com>

---------

Co-authored-by: Ricardo Rodriguez <ricrogz@users.noreply.github.com>

2026-03-12 13:58:33 +01:00

..

Bench

add more benchmarking (#8878)

2025-11-27 14:25:57 +01:00

Catalogs

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

ChemicalFeatures

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

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

cmake

Stop External/rapidjson-1.1.0 and Code/RDGeneral going to ${CMAKE_SOURCE_DIR} (#8810)

2025-09-25 14:05:35 +02:00

DataManip

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

DataStructs

Defer numpy initialization to first use (#9127)

2026-02-23 18:42:42 +01:00

Demos

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

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

DistGeom

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

doxygen

update doxygen files and add new logo without text

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

Features

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

ForceField

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Fuzz

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Geometry

Add explicit operator= and copy c'tors. (#9133)

2026-03-01 07:18:20 +01:00

GraphMol

Fixes a boundary issue when indexing SDF (#9162)

2026-03-12 13:58:33 +01:00

JavaWrappers

Fix for issue #8965 (#8968)

2026-02-26 08:58:36 +01:00

MinimalLib

swap zlib download to use github (#9123)

2026-02-19 12:12:36 +01:00

ML

Get things working with numpy 2.4 and pandas 3.0 (#9072)

2026-02-04 12:06:21 +01:00

Numerics

Add explicit operator= and copy c'tors. (#9133)

2026-03-01 07:18:20 +01:00

PgSQL/rdkit

style: apply readability-braces-around-statements (#8136)

2026-02-09 12:10:50 +01:00

Query

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

RDBoost

Change extern types to static consts (#8765)

2025-11-07 05:15:22 +01:00

RDGeneral

style: apply readability-braces-around-statements (#8136)

2026-02-09 12:10:50 +01:00

RDStreams

cmake cleanup (#6814)

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

SimDivPickers

style: apply readability-braces-around-statements (#8136)

2026-02-09 12:10:50 +01:00

CMakeLists.txt

set up performance benchmarks (#8865)

2025-10-18 08:07:49 +02:00

notes.txt

Unset executable flag

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