OEMMFFParams

Attention

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

class OEMMFFParams : public OEMolPotential::OEFFParams

The OEMMFFParams class provides the ability to retrieve parameters used in the MMFF94 force field.

The following methods are publicly inherited from OEFFParams:

• CreateCopy

• GetCoulombParams

• GetStretchParams

• GetAtomTypeIndex

• GetEquilibriumAngle

• GetTorsionParams

• GetAtomTypeName

• GetEquilibriumBondLength

• GetVdwParams

• GetBendParams

• GetOutOfPlaneParams

• GetVdwRadius

• GetContactDistance

• GetStretchBendParams

• PrepMol

• GetVdwParams

• GetStretchParams

• GetBendParams

• GetTorsionParams

• GetOutOfPlaneParams

• HasVdwParams

• HasStretchParams

• HasBendParams

• HasTorsionParams

• GetTitle

The following classes derive from this class:

• OEMMFF94sParams

Constructors

OEMMFFParams()

Default and copy constructors.