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//! `chematic-perception` — molecular perception algorithms. //! //! Provides: //! - [`sssr`]: Smallest Set of Smallest Rings (SSSR) via Balducci-Pearlman algorithm. //! - [`aromaticity`]: Hückel aromaticity perception for kekulized molecules. #![forbid(unsafe_code)] pub mod aromaticity; pub mod sssr; pub use aromaticity::{AromaticityModel, assign_aromaticity}; pub use sssr::{RingSet, find_sssr};