net.sf.octet.model
Interface PaddleWheel

All Superinterfaces:

HalfPlaneCollection

All Known Implementing Classes:

BasicPaddleWheel, PaddleWheelInvertor

public interface PaddleWheel

extends HalfPlaneCollection

A representation of the paddle wheel concept. PaddleWheel is used both in the context of Configuration and Conformation to provide a convenient formalism to define and compare stereochemical features.

A PaddleWheel is essentially a circular set of HalfPlanes arranged around a central axis. The entire HalfPlane set can be iterated in the forward or reverse sense starting from an arbitrary HalfPlane.

The HalfPlane interface is adapted from concepts presented in a paper by Andreas Dietz (J. Chem. Inf. Comput. Sci. 1995, 35 , 787).

Author:

Richard Apodaca

See Also:

Configuration, Conformation

Method Summary

AtomPair	getAxis() Returns the AtomPair containing the central Atom as its source and the neighbor Atom as its target.
HalfPlaneIterator	iterateHalfPlanes(HalfPlane halfPlane) Returns an iterator over all HalfPlanes in this PaddleWheel starting from halfPlane in the forward (clockwise) sense.
HalfPlaneIterator	iterateHalfPlanesReverse(HalfPlane halfPlane) Returns an iterator over all HalfPlanes in this PaddleWheel starting from halfPlane in the reverse (anticlockwise) sense.

Methods inherited from interface net.sf.octet.collection.HalfPlaneCollection

containsHalfPlane, countHalfPlanes, getHalfPlane, getHalfPlaneIndex, iterateHalfPlanes, toHalfPlaneArray

Method Detail

getAxis

public AtomPair getAxis()

Returns the AtomPair containing the central Atom as its source and the neighbor Atom as its target.

Returns:

the AtomPair containing the central Atom as its source and the neighbor Atom as its target

iterateHalfPlanes

public HalfPlaneIterator iterateHalfPlanes(HalfPlane halfPlane)

Returns an iterator over all HalfPlanes in this PaddleWheel starting from halfPlane in the forward (clockwise) sense.

Parameters:

halfPlane - the HalfPLane at which iteration will begin

Returns:

halfPlane an iterator over all HalfPlanes in this PaddleWheel starting from halfPlane

iterateHalfPlanesReverse

public HalfPlaneIterator iterateHalfPlanesReverse(HalfPlane halfPlane)

Returns an iterator over all HalfPlanes in this PaddleWheel starting from halfPlane in the reverse (anticlockwise) sense.

Parameters:

halfPlane - the HalfPLane at which iteration will begin

Returns:

halfPlane an iterator over all HalfPlanes in this PaddleWheel starting from halfPlane