CDPL.Chem.AtomConformer3DCoordinatesFunctor Class Reference

AtomConformer3DCoordinatesFunctor. More...

Inheritance diagram for CDPL.Chem.AtomConformer3DCoordinatesFunctor:

Public Member Functions
None	__init__ (AtomConformer3DCoordinatesFunctor func)
	Initializes a copy of the AtomConformer3DCoordinatesFunctor instance func. More...
None	__init__ (int conf_idx)
	Initializes the AtomConformer3DCoordinatesFunctor instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
AtomConformer3DCoordinatesFunctor	assign (AtomConformer3DCoordinatesFunctor func)
	Replaces the current state of self with a copy of the state of the AtomConformer3DCoordinatesFunctor instance func. More...
Math.Vector3D	__call__ (Atom atom)
	Returns the 3D-coordinates of the argument atom. More...

Properties
	objectID = property(getObjectID)

Detailed Description

AtomConformer3DCoordinatesFunctor.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Chem.AtomConformer3DCoordinatesFunctor.__init__

(

AtomConformer3DCoordinatesFunctor

func

)

Initializes a copy of the AtomConformer3DCoordinatesFunctor instance func.

Parameters

func	The AtomConformer3DCoordinatesFunctor instance to copy.

__init__() [2/2]

None CDPL.Chem.AtomConformer3DCoordinatesFunctor.__init__

(

int

conf_idx

)

Initializes the AtomConformer3DCoordinatesFunctor instance.

Parameters

conf_idx

Member Function Documentation

getObjectID()

int CDPL.Chem.AtomConformer3DCoordinatesFunctor.getObjectID

(

)

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

Different Python AtomConformer3DCoordinatesFunctor 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 AtomConformer3DCoordinatesFunctor 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()

AtomConformer3DCoordinatesFunctor CDPL.Chem.AtomConformer3DCoordinatesFunctor.assign

(

AtomConformer3DCoordinatesFunctor

func

)

Replaces the current state of self with a copy of the state of the AtomConformer3DCoordinatesFunctor instance func.

Parameters

func	The AtomConformer3DCoordinatesFunctor instance to copy.

Returns

self

__call__()

Math.Vector3D CDPL.Chem.AtomConformer3DCoordinatesFunctor.__call__

(

Atom

atom

)

Returns the 3D-coordinates of the argument atom.

Parameters

atom

The atom.

Returns

The 3D-coordinates of the atom.

See also

Chem.getConformer3DCoordinates(const Atom&, std::size_t)