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rdkit-rs / rdkit Public

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Add bond access and RWMol molecule editing - #51

#51

Draft

sharifhsn wants to merge 15 commits into

rdkit-rs:mainrdkit-rs/rdkit:mainfrom

sharifhsn:pr/bond-editingsharifhsn/rdkit:pr/bond-editingCopy head branch name to clipboard

Conversation Commits15 (15)Checks Files changed

Draft

Add bond access and RWMol molecule editing#51
sharifhsn wants to merge 15 commits into
rdkit-rs:mainfrom
sharifhsn:pr/bond-editing

Commits

Commits on Mar 14, 2026

Upgrade C++ standard from C++17 to C++20

sharifhsn
and
claude
committed
Add explicit lifetime annotation to atom_with_idx return type

sharifhsn
and
claude
committed
Fix clippy warnings: unused lifetime and len_zero

sharifhsn
and
claude
committed
Replace deprecated rustfmt version option with style_edition

sharifhsn
and
claude
committed
Fix tail-expression drop order for Rust 2024 compatibility

sharifhsn
and
claude
committed
Upgrade to Rust edition 2024

sharifhsn
and
claude
committed
Add const atom access FFI path

sharifhsn
and
claude
committed
Add AtomRef for read-only atom access without &mut self

sharifhsn
and
claude
committed
Add parity tests for AtomRef vs Atom

sharifhsn
and
claude
committed
Add atom iteration benchmarks comparing AtomRef vs Atom

sharifhsn
and
claude
committed
Update dependencies to latest major versions

sharifhsn
and
claude
committed
Trim benchmarks to honest comparisons only

sharifhsn
and
claude
committed

Commits on Mar 15, 2026

Fix broken rdkit-sys link in README

sharifhsn
and
claude
committed
Add bond access with BondType, BondStereo, and BondDir enums

sharifhsn
and
claude
committed
Add RWMol programmatic molecule editing

sharifhsn
and
claude
committed

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