OEMMFFOutOfPlane

Attention

This API is currently available in C++ and Python.

class OEMMFFOutOfPlane : public OEMolPotential::OEMolFunc2

The OEMMFFOutOfPlane class defines out-of-plane (improper torsion) interaction function using the functional forms used in MMFF94 force field. The function can be initialized with parameters defined in MMFF94 (OEMMFFParams) or MMFF94s (OEMMFF94sParams) force field, or a different set of user defined parameters (OEFFParams) during construction.

The following methods are publicly inherited from OEFunc0:

• operator()

• GetFComponents

• NumVar

The following methods are publicly inherited from OEFunc1:

• operator()

The following methods are publicly inherited from OEFunc2:

• operator()

The following methods are publicly inherited from OEMolFunc:

• Clear

• ClearPredicates

• GetInteractions

• Setup

The OEMMFFOutOfPlane class defines the following public methods:

Constructors

OEMMFFOutOfPlane(arg2: OEFFParams) -> OEMMFFOutOfPlane
OEMMFFOutOfPlane(arg2: OEMMFFOutOfPlane) -> OEMMFFOutOfPlane

Default and copy constructors.

Constructs an OEMMFFOutOfPlane instance using the specified set of parameters.