crunchflow.input.databases

Databases subpackage: typed, file-backed stores for CrunchFlow data.

Currently includes thermodynamic databases; shared value objects live in common.py. Kinetics-oriented containers are also defined in common.py for future use.

Subpackages

• crunchflow.input.databases.aqueous
• crunchflow.input.databases.thermo

Submodules

• crunchflow.input.databases.common

Exceptions

ParseError	Raised when a database file cannot be parsed.
ValidationError	Raised when parsed values fail basic validation.

Classes

AqueousDatabase	Standalone aqueous database with two entry types:
AqueousReaction	One &Aqueous entry (reaction stoichiometry) from an aqueous kinetics database.
AqueousKinetics	Single-law-first representation of an aqueous kinetic entry.
DebyeHuckelSet	Debye–Hückel parameters (adh, bdh, bdt) tabulated on the same grid.
Reaction	Reaction stoichiometry in database format. Consists of one species on the
ThermoDatabase	In-memory representation of a CrunchFlow-style thermodynamic database.
Exchange	Exchange reaction from the 'Begin exchange' block.
GasSpecies	Gas entry in the 'gases' block; represented by its formation/dissolution
MineralKinetics	Mineral kinetics entry from the thermodynamic database.
Minerals	Mineral entry in the 'minerals' block; dissolution reaction and logK(T).
PrimarySpecies	Entry from the 'primary' block
SecondarySpecies	Secondary aqueous complex:
SurfaceComplex	Surface complex from the 'surface complexation' block.
SurfaceComplexParams	Surface complexation parameters from the thermodynamic database.