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rdkit/Code
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Rachel Walker 1da163da0d Modern stereo: fix stereo inversion in rings (#8957) 
* Modern stereo: fix stereo inversion in rings

* Update Code/GraphMol/catch_chirality.cpp

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

* Update Code/GraphMol/catch_chirality.cpp

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

* Update Code/GraphMol/catch_chirality.cpp

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

* review comments

* Update Code/GraphMol/catch_chirality.cpp

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

* gregs comment

---------

Co-authored-by: Ricardo Rodriguez <ricrogz@users.noreply.github.com>
2025-11-27 17:28:29 +01:00
..
Bench
set up performance benchmarks (#8865)
2025-10-31 13:47:18 +01:00
Catalogs
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00
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)
2025-10-31 13:42:16 +01:00
DataStructs
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +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)
2025-10-31 13:42:16 +01:00
doxygen
update doxygen files and add new logo without text
2013-07-11 07:19:33 +02:00
Features
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00
ForceField
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00
Fuzz
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00
Geometry
make Point2D and Point3D constexpr (#8882)
2025-10-31 13:48:15 +01:00
GraphMol
Modern stereo: fix stereo inversion in rings (#8957)
2025-11-27 17:28:29 +01:00
JavaWrappers
ScsrHbondMrvError (#8646)
2025-10-31 13:34:32 +01:00
MinimalLib
Switch from using RapidJSON to Boost::JSON for MolInterchange (#8859)
2025-11-27 17:22:28 +01:00
ML
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00
Numerics
make Point2D and Point3D constexpr (#8882)
2025-10-31 13:48:15 +01:00
PgSQL/rdkit
Set explicit COST=100 for SQL functions as suggested in #8711 (#8784)
2025-09-23 06:15:34 +02:00
Query
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00
RDBoost
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00
RDGeneral
added new attributes for scsr template as per BIOVIA doc 2023 (#8911)
2025-11-27 17:15:54 +01:00
RDStreams
cmake cleanup (#6814)
2023-11-10 15:32:54 +01:00
SimDivPickers
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00
CMakeLists.txt
set up performance benchmarks (#8865)
2025-10-31 13:47:18 +01:00
notes.txt
Unset executable flag
2019-10-10 20:18:43 +09:00