7.1.2.7. pta.metabolite

Description of a metabolite.

7.1.2.7.1. Module Contents

class pta.metabolite.Metabolite(id: str, key: str, compartment: str = 'c', nH: int = 0, z: int = 0)

Describes the properties of a metabolite relevant for the estimation of Gibbs free energies.

Parameters

• id (str) – The unique identifier of the metabolite.

• key (str) – The key of the metabolite, without its compartment specification.

• compartment (str, optional) – The identifier of the compartment, by default ‘c’.

• nH (int, optional) – Number of hydrogen atoms in the metabolite, by default 0.

• z (int, optional) – Charge of the metabolite, by default 0.

property id(self) → str

Gets the identifier of the metabolite.

property key(self) → str

Gets the key of the metabolite.

property compartment(self) → str

Gets the compartment ID of the metabolite.

property nH(self) → int

Gets the number of hydrogen atoms in the metabolite.

property z(self) → int

Gets the charge of the metabolite.