Crate chematic_perception 

chematic-perception — molecular perception algorithms.

Provides:

• sssr: Smallest Set of Smallest Rings (SSSR) via Balducci-Pearlman algorithm.
• aromaticity: Hückel aromaticity perception for kekulized molecules.

Re-exports

pub use aromaticity::AromaticityModel;

pub use aromaticity::assign_aromaticity;

pub use sssr::RingSet;

pub use sssr::find_sssr;

Modules

aromaticity

Hückel aromaticity perception.

sssr

Smallest Set of Smallest Rings (SSSR) via the Balducci-Pearlman algorithm.