OENonBondBase

Attention

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

class OENonBondBase : public virtual OEMolPotential::OEMolFunc2

The OENonBondBase is an abstract base class. This class defines a common base class for non bond interactions of force fields.

The following methods are publicly inherited from OEFunc0:
The following methods are publicly inherited from OEFunc1:
The following methods are publicly inherited from OEFunc2:
The following methods are publicly inherited from OEMolFunc:
The OENonBondBase class defines the following public methods:
The following classes derive from this class:

Constructors

OENonBondBase(const OEFFParams&, const OENonBondIntcsOption&) = default;
OENonBondBase(const OENonBondBase&) = default;

Constructor and copy constructor.

Assignment operator

OENonBondBase& operator=(const OENonBondBase&) = default;

Assignment operator.

GetOptions

OEMolPotential::OENonBondIntcsOptions& GetOptions()
const OEMolPotential::OENonBondIntcsOptions& GetOptions() const

This method returns a reference to the non bond interaction options (OENonBondIntcsOptions).

SetOptions

bool SetOptions(const OEMolPotential::OENonBondIntcsOptions&)

This method sets up the non bond interaction options (OENonBondIntcsOptions).