crunchflow.input.databases.common

Common database entities for parsing thermodynamic and kinetics databases.

Exceptions

ParseError

Raised when a database file cannot be parsed.

ValidationError

Raised when parsed values fail basic validation.

Classes

Reaction

Reaction stoichiometry in database format. Consists of one species on the

AqueousKinetics

Single-law-first representation of an aqueous kinetic entry.

DebyeHuckelSet

Debye–Hückel parameters (adh, bdh, bdt) tabulated on the same grid.