CDPL.ForceField.MMFF94StretchBendInteraction Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94StretchBendInteraction:

Public Member Functions
None	__init__ (MMFF94StretchBendInteraction iactn)
	Initializes a copy of the MMFF94StretchBendInteraction instance iactn. More...
None	__init__ (int term_atom1_idx, int ctr_atom_idx, int term_atom2_idx, int sb_type_idx, float ref_angle, float ref_length1, float ref_length2, float ijk_force_const, float kji_force_const)
	Initializes the MMFF94StretchBendInteraction instance. More...
int	getTerminalAtom1Index ()
int	getTerminalAtom2Index ()
int	getCenterAtomIndex ()
int	getAtom1Index ()
int	getAtom2Index ()
int	getAtom3Index ()
int	getStretchBendTypeIndex ()
float	getIJKForceConstant ()
float	getKJIForceConstant ()
float	getReferenceAngle ()
None	setReferenceAngle (float angle)
float	getReferenceLength1 ()
None	setReferenceLength1 (float length)
float	getReferenceLength2 ()
None	setReferenceLength2 (float length)
MMFF94StretchBendInteraction	assign (MMFF94StretchBendInteraction iactn)
	Replaces the current state of self with a copy of the state of the MMFF94StretchBendInteraction instance iactn. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...

Properties
	objectID = property(getObjectID)
	termAtom1Index = property(getTerminalAtom1Index)
	termAtom2Index = property(getTerminalAtom2Index)
	ctrAtomIndex = property(getCenterAtomIndex)
	atom1Index = property(getAtom1Index)
	atom2Index = property(getAtom2Index)
	atom3Index = property(getAtom3Index)
	stretchBendTypeIndex = property(getStretchBendTypeIndex)
	referenceAngle = property(getReferenceAngle, setReferenceAngle)
	referenceLength1 = property(getReferenceLength1, setReferenceLength1)
	referenceLength2 = property(getReferenceLength2, setReferenceLength2)
	ijkForceConstant = property(getIJKForceConstant)
	kjiForceConstant = property(getKJIForceConstant)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94StretchBendInteraction.__init__

(

MMFF94StretchBendInteraction

iactn

)

Initializes a copy of the MMFF94StretchBendInteraction instance iactn.

Parameters

iactn

The MMFF94StretchBendInteraction instance to copy.

__init__() [2/2]

None CDPL.ForceField.MMFF94StretchBendInteraction.__init__	(	int	term_atom1_idx,
		int	ctr_atom_idx,
		int	term_atom2_idx,
		int	sb_type_idx,
		float	ref_angle,
		float	ref_length1,
		float	ref_length2,
		float	ijk_force_const,
		float	kji_force_const
	)

Initializes the MMFF94StretchBendInteraction instance.

Parameters

term_atom1_idx
ctr_atom_idx
term_atom2_idx
sb_type_idx
ref_angle
ref_length1
ref_length2
ijk_force_const
kji_force_const

Member Function Documentation

getTerminalAtom1Index()

int CDPL.ForceField.MMFF94StretchBendInteraction.getTerminalAtom1Index

(

)

Returns

getTerminalAtom2Index()

int CDPL.ForceField.MMFF94StretchBendInteraction.getTerminalAtom2Index

(

)

Returns

getCenterAtomIndex()

int CDPL.ForceField.MMFF94StretchBendInteraction.getCenterAtomIndex

(

)

Returns

getAtom1Index()

int CDPL.ForceField.MMFF94StretchBendInteraction.getAtom1Index

(

)

Returns

getAtom2Index()

int CDPL.ForceField.MMFF94StretchBendInteraction.getAtom2Index

(

)

Returns

getAtom3Index()

int CDPL.ForceField.MMFF94StretchBendInteraction.getAtom3Index

(

)

Returns

getStretchBendTypeIndex()

int CDPL.ForceField.MMFF94StretchBendInteraction.getStretchBendTypeIndex

(

)

Returns

getIJKForceConstant()

float CDPL.ForceField.MMFF94StretchBendInteraction.getIJKForceConstant

(

)

Returns

getKJIForceConstant()

float CDPL.ForceField.MMFF94StretchBendInteraction.getKJIForceConstant

(

)

Returns

getReferenceAngle()

float CDPL.ForceField.MMFF94StretchBendInteraction.getReferenceAngle

(

)

Returns

setReferenceAngle()

None CDPL.ForceField.MMFF94StretchBendInteraction.setReferenceAngle

(

float

angle

)

Parameters

angle

getReferenceLength1()

float CDPL.ForceField.MMFF94StretchBendInteraction.getReferenceLength1

(

)

Returns

setReferenceLength1()

None CDPL.ForceField.MMFF94StretchBendInteraction.setReferenceLength1

(

float

length

)

Parameters

length

getReferenceLength2()

float CDPL.ForceField.MMFF94StretchBendInteraction.getReferenceLength2

(

)

Returns

setReferenceLength2()

None CDPL.ForceField.MMFF94StretchBendInteraction.setReferenceLength2

(

float

length

)

Parameters

length

assign()

MMFF94StretchBendInteraction CDPL.ForceField.MMFF94StretchBendInteraction.assign

(

MMFF94StretchBendInteraction

iactn

)

Replaces the current state of self with a copy of the state of the MMFF94StretchBendInteraction instance iactn.

Parameters

iactn

The MMFF94StretchBendInteraction instance to copy.

Returns

self

getObjectID()

int CDPL.ForceField.MMFF94StretchBendInteraction.getObjectID

(

)

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

Different Python MMFF94StretchBendInteraction 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 MMFF94StretchBendInteraction 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.