assembly_theory

Module molecule

Expand description

Graph-theoretic representation of a molecule.

Structs§

Atom: The nodes of a Molecule graph.
Molecule: A simple, loopless graph with Atoms as nodes and Bonds as edges.
ParseBondError: Thrown by Bond::try_from when given anything other than a 1, 2, or 3.
ParseElementError: Thrown by Element::from_str if the string is not a valid chemical element.

Enums§

AtomOrBond: Either an Atom or a Bond.
Bond: The edges of a Molecule graph.
Element: A chemical element on the periodic table.