CDPL.ForceField.MMFF94BondStretchingInteraction Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94BondStretchingInteraction:

Public Member Functions
None	__init__ (MMFF94BondStretchingInteraction iactn)
	Initializes a copy of the MMFF94BondStretchingInteraction instance iactn. More...
None	__init__ (int atom1_idx, int atom2_idx, int bond_type_idx, float force_const, float ref_length)
	Initializes the MMFF94BondStretchingInteraction instance. More...
int	getAtom1Index ()
int	getAtom2Index ()
int	getBondTypeIndex ()
float	getForceConstant ()
float	getReferenceLength ()
None	setReferenceLength (float length)
MMFF94BondStretchingInteraction	assign (MMFF94BondStretchingInteraction iactn)
	Replaces the current state of self with a copy of the state of the MMFF94BondStretchingInteraction instance iactn. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...

Properties
	objectID = property(getObjectID)
	atom1Index = property(getAtom1Index)
	atom2Index = property(getAtom2Index)
	bondTypeIndex = property(getBondTypeIndex)
	forceConstant = property(getForceConstant)
	referenceLength = property(getReferenceLength, setReferenceLength)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94BondStretchingInteraction.__init__

(

MMFF94BondStretchingInteraction

iactn

)

Initializes a copy of the MMFF94BondStretchingInteraction instance iactn.

Parameters

iactn

The MMFF94BondStretchingInteraction instance to copy.

__init__() [2/2]

None CDPL.ForceField.MMFF94BondStretchingInteraction.__init__	(	int	atom1_idx,
		int	atom2_idx,
		int	bond_type_idx,
		float	force_const,
		float	ref_length
	)

Initializes the MMFF94BondStretchingInteraction instance.

Parameters

atom1_idx
atom2_idx
bond_type_idx
force_const
ref_length

Member Function Documentation

getAtom1Index()

int CDPL.ForceField.MMFF94BondStretchingInteraction.getAtom1Index

(

)

Returns

getAtom2Index()

int CDPL.ForceField.MMFF94BondStretchingInteraction.getAtom2Index

(

)

Returns

getBondTypeIndex()

int CDPL.ForceField.MMFF94BondStretchingInteraction.getBondTypeIndex

(

)

Returns

getForceConstant()

float CDPL.ForceField.MMFF94BondStretchingInteraction.getForceConstant

(

)

Returns

getReferenceLength()

float CDPL.ForceField.MMFF94BondStretchingInteraction.getReferenceLength

(

)

Returns

setReferenceLength()

None CDPL.ForceField.MMFF94BondStretchingInteraction.setReferenceLength

(

float

length

)

Parameters

length

assign()

MMFF94BondStretchingInteraction CDPL.ForceField.MMFF94BondStretchingInteraction.assign

(

MMFF94BondStretchingInteraction

iactn

)

Replaces the current state of self with a copy of the state of the MMFF94BondStretchingInteraction instance iactn.

Parameters

iactn

The MMFF94BondStretchingInteraction instance to copy.

Returns

self

getObjectID()

int CDPL.ForceField.MMFF94BondStretchingInteraction.getObjectID

(

)

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python MMFF94BondStretchingInteraction instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two MMFF94BondStretchingInteraction instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns

The numeric ID of the internally referenced C++ class instance.