chematic-rxn 0.1.0

Reaction SMILES parser and writer for chematic — pure Rust
Documentation

chematic-rxn — reaction SMILES parser and writer for chematic.

Provides:

  • [Reaction]: reactants, agents, products as Vec<Molecule>.
  • [parse_reaction]: parse a reaction SMILES string "R>>P" or "R>A>P".
  • [write_reaction]: serialize back to reaction SMILES.
  • [RxnError]: parse error type.