CDPL.ForceField.MMFF94StretchBendParameterTable.Entry Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94StretchBendParameterTable.Entry:

Public Member Functions
None	__init__ ()
	Initializes the Entry instance.
None	__init__ (Entry entry)
	Initializes a copy of the Entry instance entry. More...
None	__init__ (int sb_type_idx, int term_atom1_type, int ctr_atom_type, int term_atom2_type, float ijk_force_const, float kji_force_const)
	Initializes the Entry instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
Entry	assign (Entry entry)
	Replaces the current state of self with a copy of the state of the Entry instance entry. More...
int	getStretchBendTypeIndex ()
int	getTerminalAtom1Type ()
int	getCenterAtomType ()
int	getTerminalAtom2Type ()
float	getIJKForceConstant ()
float	getKJIForceConstant ()
bool	__nonzero__ ()
bool	__bool__ ()

Properties
	objectID = property(getObjectID)
	stretchBendTypeIndex = property(getStretchBendTypeIndex)
	termAtom1Type = property(getTerminalAtom1Type)
	ctrAtomType = property(getCenterAtomType)
	termAtom2Type = property(getTerminalAtom2Type)
	ijkForceConstant = property(getIJKForceConstant)
	kjiForceConstant = property(getKJIForceConstant)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.__init__

(

Entry

entry

)

Initializes a copy of the Entry instance entry.

Parameters

entry

The Entry instance to copy.

__init__() [2/2]

None CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.__init__	(	int	sb_type_idx,
		int	term_atom1_type,
		int	ctr_atom_type,
		int	term_atom2_type,
		float	ijk_force_const,
		float	kji_force_const
	)

Initializes the Entry instance.

Parameters

sb_type_idx
term_atom1_type
ctr_atom_type
term_atom2_type
ijk_force_const
kji_force_const

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.getObjectID

(

)

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

Different Python Entry 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 Entry 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.

assign()

Entry CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.assign

(

Entry

entry

)

Replaces the current state of self with a copy of the state of the Entry instance entry.

Parameters

entry

The Entry instance to copy.

Returns

self

getStretchBendTypeIndex()

int CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.getStretchBendTypeIndex

(

)

Returns

getTerminalAtom1Type()

int CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.getTerminalAtom1Type

(

)

Returns

getCenterAtomType()

int CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.getCenterAtomType

(

)

Returns

getTerminalAtom2Type()

int CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.getTerminalAtom2Type

(

)

Returns

getIJKForceConstant()

float CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.getIJKForceConstant

(

)

Returns

getKJIForceConstant()

float CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.getKJIForceConstant

(

)

Returns

__nonzero__()

bool CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.__nonzero__

(

)

Returns

__bool__()

bool CDPL.ForceField.MMFF94StretchBendParameterTable.Entry.__bool__

(

)

Returns