CDPL.Chem.ResonanceStructureGenerator.StructureData Class Reference

Inheritance diagram for CDPL.Chem.ResonanceStructureGenerator.StructureData:

Public Member Functions
None	__init__ (StructureData data)
	Initializes a copy of the StructureData instance data. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
ResonanceStructureGenerator	assign (ResonanceStructureGenerator data)
	Replaces the current state of self with a copy of the state of the ResonanceStructureGenerator instance data. More...
Util.LArray	getAtomCharges ()
Util.STArray	getBondOrders ()

Properties
	objectID = property(getObjectID)
	atomCharges = property(getAtomCharges)
	bondOrders = property(getBondOrders)

Constructor & Destructor Documentation

__init__()

None CDPL.Chem.ResonanceStructureGenerator.StructureData.__init__

(

StructureData

data

)

Initializes a copy of the StructureData instance data.

Parameters

data	The StructureData instance to copy.

Member Function Documentation

getObjectID()

int CDPL.Chem.ResonanceStructureGenerator.StructureData.getObjectID

(

)

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

Different Python StructureData 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 StructureData 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()

ResonanceStructureGenerator CDPL.Chem.ResonanceStructureGenerator.StructureData.assign

(

ResonanceStructureGenerator

data

)

Replaces the current state of self with a copy of the state of the ResonanceStructureGenerator instance data.

Parameters

data	The ResonanceStructureGenerator instance to copy.

Returns

self

getAtomCharges()

Util.LArray CDPL.Chem.ResonanceStructureGenerator.StructureData.getAtomCharges

(

)

Returns

getBondOrders()

Util.STArray CDPL.Chem.ResonanceStructureGenerator.StructureData.getBondOrders

(

)

Returns