Package etomica.molecule

Class MoleculeOriented

java.lang.Object

etomica.molecule.Molecule

etomica.molecule.MoleculeOriented

All Implemented Interfaces:

IMolecule, IMoleculeOriented, IMoleculePositioned

Direct Known Subclasses:

MoleculeOrientedDynamic

public class MoleculeOriented
extends Molecule
implements IMoleculeOriented

Molecule class appropriate for a rigid molecule. The molecule object holds a position and orientation fields.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected IOrientation3D	orientation
protected Vector	position

Fields inherited from class etomica.molecule.Molecule

childList, index, species

Constructor Summary

Constructors

Constructor	Description
MoleculeOriented(Space space, ISpecies species, int numLeafAtoms)
MoleculeOriented(Space space, ISpecies species, int numLeafAtoms, boolean isAxisSymmetric)

Method Summary

Modifier and Type	Method	Description
IOrientation3D	getOrientation()	Returns the orientation of the IAtom.
Vector	getPosition()	Returns the position of the IMolecule.

Methods inherited from interface etomica.molecule.IMolecule

getChildList, getIndex, getType, setIndex

Methods inherited from class etomica.molecule.Molecule

addChildAtom, getChildList, getIndex, getType, removeChildAtom, setIndex, signature, toString

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

orientation

protected final IOrientation3D orientation

position

protected final Vector position

Constructor Detail

MoleculeOriented

public MoleculeOriented(Space space,
                        ISpecies species,
                        int numLeafAtoms)

MoleculeOriented

public MoleculeOriented(Space space,
                        ISpecies species,
                        int numLeafAtoms,
                        boolean isAxisSymmetric)

Method Detail

getOrientation

public IOrientation3D getOrientation()

Description copied from interface: IMoleculeOriented

Returns the orientation of the IAtom. Modifying the returned IVector will alter the IAtom's position.

Specified by:

getOrientation in interface IMoleculeOriented

getPosition

public Vector getPosition()

Description copied from interface: IMoleculePositioned

Returns the position of the IMolecule. Modifying the returned Vector will alter the IMolecule's position, but not any positions of the IMolecule's child IAtoms.

Specified by:

getPosition in interface IMoleculePositioned