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Brian Kelley 492e150997 Implements #8222 adds react_idx (index of reactant) to product atoms (#8231) 
* Implements #8222 adds react_idx (index of reactant) to product atoms

* Remove react_idx from mol enumerator products

* Response to review, add test to ensure product only atoms aren't tagged

* Reenable tests
2025-02-27 13:12:24 +01:00
..
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
bump the inchi version to 1.07.2 (#8176)
2025-01-30 05:54:23 +01:00
DataManip
One final round of mem errors (#7943)
2024-11-28 07:13:18 +01:00
DataStructs
remove no-op macros and dead code (pt 4) (#8037)
2025-01-30 06:28:59 +01:00
Demos
remove no-op macros and dead code (pt 4) (#8037)
2025-01-30 06:28:59 +01:00
DistGeom
DistViolationContribs optimization (#8208)
2025-01-30 06:33:38 +01:00
doxygen
update doxygen files and add new logo without text
2013-07-11 07:19:33 +02:00
Features
remove no-op macros and dead code (pt 2) (#8035)
2025-01-30 05:51:09 +01:00
ForceField
Fix typo in documentation (#8220)
2025-01-30 06:32:47 +01:00
Fuzz
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
Geometry
remove no-op macros and dead code (pt 4) (#8037)
2025-01-30 06:28:59 +01:00
GraphMol
Implements #8222 adds react_idx (index of reactant) to product atoms (#8231)
2025-02-27 13:12:24 +01:00
JavaWrappers
some cmake cleanups (#8171)
2025-01-30 05:53:16 +01:00
MinimalLib
- str_to_c() should initialize len to 0 even if memory allocation fails (#8112)
2024-12-20 08:44:56 +01:00
ML
... and more mem errors fixed (#7924)
2024-11-28 07:12:25 +01:00
Numerics
remove no-op macros and dead code (pt 4) (#8037)
2025-01-30 06:28:59 +01:00
PgSQL/rdkit
bump the inchi version to 1.07.2 (#8176)
2025-01-30 05:54:23 +01:00
Query
clang-tidy: readability-simplify-boolean-expr (#4639)
2022-03-17 13:50:50 +01:00
RDBoost
remove no-op macros and dead code (pt 4) (#8037)
2025-01-30 06:28:59 +01:00
RDGeneral
Implements #8222 adds react_idx (index of reactant) to product atoms (#8231)
2025-02-27 13:12:24 +01:00
RDStreams
cmake cleanup (#6814)
2023-11-10 15:32:54 +01:00
SimDivPickers
remove no-op macros and dead code (pt 4) (#8037)
2025-01-30 06:28:59 +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