class openfe.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.

abstract property name: str

abstract property total_charge: int | None

Net formal charge for the Component, if defined.

validate()

Validate this Component.

This method may be overridden by subclasses to implement component-specific consistency or sanity checks.

Implementations should raise an exception if validation fails. The base implementation performs no checks.