CDPL.ForceField.MMFF94BondChargeIncrementTable.Entry Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94BondChargeIncrementTable.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 bond_type_idx, int atom1_type, int atom2_type, float bond_chg_inc)
	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	getBondTypeIndex ()
int	getAtom1Type ()
int	getAtom2Type ()
float	getChargeIncrement ()
bool	__nonzero__ ()
bool	__bool__ ()

Properties
	objectID = property(getObjectID)
	bondTypeIndex = property(getBondTypeIndex)
	atom1Type = property(getAtom1Type)
	atom2Type = property(getAtom2Type)
	chargeIncrement = property(getChargeIncrement)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94BondChargeIncrementTable.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.MMFF94BondChargeIncrementTable.Entry.__init__	(	int	bond_type_idx,
		int	atom1_type,
		int	atom2_type,
		float	bond_chg_inc
	)

Initializes the Entry instance.

Parameters

bond_type_idx
atom1_type
atom2_type
bond_chg_inc

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94BondChargeIncrementTable.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.MMFF94BondChargeIncrementTable.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

getBondTypeIndex()

int CDPL.ForceField.MMFF94BondChargeIncrementTable.Entry.getBondTypeIndex

(

)

Returns

getAtom1Type()

int CDPL.ForceField.MMFF94BondChargeIncrementTable.Entry.getAtom1Type

(

)

Returns

getAtom2Type()

int CDPL.ForceField.MMFF94BondChargeIncrementTable.Entry.getAtom2Type

(

)

Returns

getChargeIncrement()

float CDPL.ForceField.MMFF94BondChargeIncrementTable.Entry.getChargeIncrement

(

)

Returns

__nonzero__()

bool CDPL.ForceField.MMFF94BondChargeIncrementTable.Entry.__nonzero__

(

)

Returns

__bool__()

bool CDPL.ForceField.MMFF94BondChargeIncrementTable.Entry.__bool__

(

)

Returns