CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.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 term_atom1_pte_row, int ctr_atom_pte_row, int term_atom2_pte_row, 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	getTerminalAtom1PTERow ()
int	getCenterAtomPTERow ()
int	getTerminalAtom2PTERow ()
float	getIJKForceConstant ()
float	getKJIForceConstant ()
bool	__nonzero__ ()
bool	__bool__ ()

Properties
	objectID = property(getObjectID)
	termAtom1PTERow = property(getTerminalAtom1PTERow)
	ctrAtomPTERow = property(getCenterAtomPTERow)
	termAtom2PTERow = property(getTerminalAtom2PTERow)
	ijkForceConstant = property(getIJKForceConstant)
	kjiForceConstant = property(getKJIForceConstant)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.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.MMFF94DefaultStretchBendParameterTable.Entry.__init__	(	int	term_atom1_pte_row,
		int	ctr_atom_pte_row,
		int	term_atom2_pte_row,
		float	ijk_force_const,
		float	kji_force_const
	)

Initializes the Entry instance.

Parameters

term_atom1_pte_row
ctr_atom_pte_row
term_atom2_pte_row
ijk_force_const
kji_force_const

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.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.MMFF94DefaultStretchBendParameterTable.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

getTerminalAtom1PTERow()

int CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getTerminalAtom1PTERow

(

)

Returns

getCenterAtomPTERow()

int CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getCenterAtomPTERow

(

)

Returns

getTerminalAtom2PTERow()

int CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getTerminalAtom2PTERow

(

)

Returns

getIJKForceConstant()

float CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getIJKForceConstant

(

)

Returns

getKJIForceConstant()

float CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getKJIForceConstant

(

)

Returns

__nonzero__()

bool CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.__nonzero__

(

)

Returns

__bool__()

bool CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.__bool__

(

)

Returns