gufe.components.component¶
Classes
|
Base class for an individual item in a larger chemical system |
- 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.- abstract property name: str¶
- abstract property total_charge: int | None¶
Net formal charge for the
Component, if defined.