OEMMFFIEFFOptions

Attention

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

class OEMMFFIEFFOptions : public OESystem::OEOptions

This class orovides interface to setup options required for OEMMFFIEFF initialization.

The OEMMFFIEFFOptions class defines the following public methods:

• GetIEFFTerms

• GetMMFFTerms

• GetUseMMFF94s

• SetIEFFTerms

• SetMMFFTerms

• SetUseMMFF94s

Constructors

OEMMFFIEFFOptions() -> OEMMFFIEFFOptions
OEMMFFIEFFOptions(arg2: OEMMFFIEFFOptions) -> OEMMFFIEFFOptions

Default and copy constructors.

GetIEFFTerms

GetIEFFTerms() -> int

Gets the constant defining what terms of the IEFF force field to be used.

GetMMFFTerms

GetMMFFTerms() -> int

Gets the constant defining what terms of the MMFF force field to be used.

GetUseMMFF94s

GetUseMMFF94s() -> bool

Gets flag that defines if MMFF94s variation of parameters should be used.

SetIEFFTerms

SetIEFFTerms(value: int) -> bool

Sets the constant defining what terms of the IEFF force field to be used.

SetMMFFTerms

SetMMFFTerms(value: int) -> bool

Sets the constant defining what terms of the MMFF force field to be used.

SetUseMMFF94s

SetUseMMFF94s(value: bool) -> bool

Sets flag that defines if MMFF94s variation of parameters should be used.