CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.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 atom_type, float part_bond_chg_inc, float form_chg_adj_factor)
	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	getAtomType ()
float	getPartialChargeIncrement ()
float	getFormalChargeAdjustmentFactor ()
bool	__nonzero__ ()
bool	__bool__ ()

Properties
	objectID = property(getObjectID)
	atomType = property(getAtomType)
	partialChargeIncrement = property(getPartialChargeIncrement)
	formalChargeAdjustmentFactor = property(getFormalChargeAdjustmentFactor)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.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.MMFF94PartialBondChargeIncrementTable.Entry.__init__	(	int	atom_type,
		float	part_bond_chg_inc,
		float	form_chg_adj_factor
	)

Initializes the Entry instance.

Parameters

atom_type
part_bond_chg_inc
form_chg_adj_factor

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.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.MMFF94PartialBondChargeIncrementTable.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

getAtomType()

int CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.getAtomType

(

)

Returns

getPartialChargeIncrement()

float CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.getPartialChargeIncrement

(

)

Returns

getFormalChargeAdjustmentFactor()

float CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.getFormalChargeAdjustmentFactor

(

)

Returns

__nonzero__()

bool CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.__nonzero__

(

)

Returns

__bool__()

bool CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.__bool__

(

)

Returns