openmmml.mlpotential.MLPotentialImplFactory

class openmmml.mlpotential.MLPotentialImplFactory

Abstract interface for classes that create MLPotentialImpl objects.

If you are defining a new potential function, you need to create subclasses of MLPotentialImpl and MLPotentialImplFactory, and register an instance of the factory by calling MLPotential.registerImplFactory().

__init__()

Methods

__init__()
createImpl(name, **args)	Create a MLPotentialImpl that will be used to implement a MLPotential.

createImpl(name: str, **args) → MLPotentialImpl

Create a MLPotentialImpl that will be used to implement a MLPotential.

When a MLPotential is created, it invokes this method to create an object implementing the requested potential. Subclasses must implement this method to return an instance of the correct MLPotentialImpl subclass.

Parameters:

• name (str) – the name of the potential that was specified to the MLPotential constructor

• args – any additional keyword arguments that were provided to the MLPotential constructor are passed to this method. This allows subclasses to customize their behavior based on extra arguments.

Return type:

a MLPotentialImpl that implements the potential