CDPL.Chem.AtomArray3DCoordinatesFunctor Class Reference

AtomArray3DCoordinatesFunctor. More...

Inheritance diagram for CDPL.Chem.AtomArray3DCoordinatesFunctor:

Public Member Functions
None	__init__ (AtomArray3DCoordinatesFunctor func)
	Initializes a copy of the AtomArray3DCoordinatesFunctor instance func. More...
None	__init__ (Math.Vector3DArray coords, MolecularGraph molgraph)
	Initializes the AtomArray3DCoordinatesFunctor instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
AtomArray3DCoordinatesFunctor	assign (AtomArray3DCoordinatesFunctor func)
	Replaces the current state of self with a copy of the state of the AtomArray3DCoordinatesFunctor instance func. More...
Math.Vector3D	__call__ (Atom atom)
	Returns the 3D-coordinates of the argument atom. More...

Properties
	objectID = property(getObjectID)

Detailed Description

AtomArray3DCoordinatesFunctor.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Chem.AtomArray3DCoordinatesFunctor.__init__

(

AtomArray3DCoordinatesFunctor

func

)

Initializes a copy of the AtomArray3DCoordinatesFunctor instance func.

Parameters

func	The AtomArray3DCoordinatesFunctor instance to copy.

__init__() [2/2]

None CDPL.Chem.AtomArray3DCoordinatesFunctor.__init__	(	Math.Vector3DArray	coords,
		MolecularGraph	molgraph
	)

Initializes the AtomArray3DCoordinatesFunctor instance.

Parameters

coords
molgraph

Member Function Documentation

getObjectID()

int CDPL.Chem.AtomArray3DCoordinatesFunctor.getObjectID

(

)

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

Different Python AtomArray3DCoordinatesFunctor 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 AtomArray3DCoordinatesFunctor 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()

AtomArray3DCoordinatesFunctor CDPL.Chem.AtomArray3DCoordinatesFunctor.assign

(

AtomArray3DCoordinatesFunctor

func

)

Replaces the current state of self with a copy of the state of the AtomArray3DCoordinatesFunctor instance func.

Parameters

func	The AtomArray3DCoordinatesFunctor instance to copy.

Returns

self

__call__()

Math.Vector3D CDPL.Chem.AtomArray3DCoordinatesFunctor.__call__

(

Atom

atom

)

Returns the 3D-coordinates of the argument atom.

Parameters

atom

The atom.

Returns

The 3D-coordinates of the atom.