CDPL.Chem.MultiConfMoleculeInputProcessor Class Reference

Abstract base interface for processors that detect and assemble multi-conformer molecules from a stream of successive single-conformer input molecules. More...

Inheritance diagram for CDPL.Chem.MultiConfMoleculeInputProcessor:

Public Member Functions
None	__init__ ()
	Initializes the MultiConfMoleculeInputProcessor instance.
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
bool	init (MolecularGraph tgt_molgraph)
bool	isConformation (MolecularGraph tgt_molgraph, MolecularGraph conf_molgraph)
bool	addConformation (MolecularGraph tgt_molgraph, MolecularGraph conf_molgraph)

Properties
	objectID = property(getObjectID)

Detailed Description

Abstract base interface for processors that detect and assemble multi-conformer molecules from a stream of successive single-conformer input molecules.

Member Function Documentation

getObjectID()

int CDPL.Chem.MultiConfMoleculeInputProcessor.getObjectID

(

)

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

Different Python MultiConfMoleculeInputProcessor 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 MultiConfMoleculeInputProcessor 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.

init()

bool CDPL.Chem.MultiConfMoleculeInputProcessor.init

(

MolecularGraph

tgt_molgraph

)

Parameters

arg1
tgt_molgraph

Returns

isConformation()

bool CDPL.Chem.MultiConfMoleculeInputProcessor.isConformation	(	MolecularGraph	tgt_molgraph,
		MolecularGraph	conf_molgraph
	)

Parameters

arg1
tgt_molgraph
conf_molgraph

Returns

addConformation()

bool CDPL.Chem.MultiConfMoleculeInputProcessor.addConformation	(	MolecularGraph	tgt_molgraph,
		MolecularGraph	conf_molgraph
	)

Parameters

arg1
tgt_molgraph
conf_molgraph

Returns