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Greg Landrum 85f33083cd add checked atom and bond iterators (#9290) 
* add checked iterators

* support checked atom and bond iterators

the idea here is to allow optional checking that the graph is not being
modified while an iterator is active

* ignore new member functions

---------

Co-authored-by: Ric R <ricrogz@gmail.com>
2026-05-26 15:25:34 +02:00
..
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
Docs: fix CosineSimilarity formula and clarify similarity metric names in BitOps.h (#9264)
2026-05-06 17:12:53 +02:00
Demos
Refactor to stop using iterator definitions in types.h (#9275)
2026-05-21 19:19:38 +02:00
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
Add Getter functions to MMFF property python interface (#9254)
2026-04-30 17:06:31 +02:00
Fuzz
Refactor iostreams includes (#8846)
2025-10-08 16:08:01 +02:00
Geometry
Support double* in Transform3D::TransformPoint (#9176)
2026-03-19 09:34:22 +01:00
GraphMol
add checked atom and bond iterators (#9290)
2026-05-26 15:25:34 +02:00
JavaWrappers
add checked atom and bond iterators (#9290)
2026-05-26 15:25:34 +02:00
MinimalLib
Fixes #9231: improve escaping values in CXSMILES (#9273)
2026-05-17 11:51:14 -04:00
ML
Refactor to stop using iterator definitions in types.h (#9275)
2026-05-21 19:19:38 +02:00
Numerics
Add explicit operator= and copy c'tors. (#9133)
2026-03-01 07:18:20 +01:00
PgSQL/rdkit
PgSQL: preserve toolchain LDFLAGS on macOS (#9285)
2026-05-16 07:00:01 +02:00
Query
switch the Query infrastructure to use std::function instead of function pointers (#9169)
2026-03-14 05:57:02 +01:00
RDBoost
Add RDLog::CaptureErrorLog for capturing error log messages (#9138)
2026-03-13 06:09:43 +01:00
RDGeneral
Refactor to stop using iterator definitions in types.h (#9275)
2026-05-21 19:19:38 +02:00
RDStreams
cmake cleanup (#6814)
2023-11-10 15:32:54 +01:00
SimDivPickers
Refactor to stop using iterator definitions in types.h (#9275)
2026-05-21 19:19:38 +02:00
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