Component

class gufe.components.component.Component(*args, **kwargs)

Base class for an individual item in a larger chemical system

Individual items could be as small as a single molecule, or as large as an entire biological assembly.

These items are used as pieces of a ChemicalSystem.

Attributes

name
total_charge	Net formal charge for the Component, if defined.

abstract property name: str

abstract property total_charge: int | None

Net formal charge for the Component, if defined.