Package etomica.molecule

Class MoleculePositionCOM

java.lang.Object

etomica.molecule.MoleculePositionCOM

All Implemented Interfaces:

IMoleculePositionDefinition, java.io.Serializable

public class MoleculePositionCOM
extends java.lang.Object
implements IMoleculePositionDefinition, java.io.Serializable

Calculates the center of mass (COM) over a set of atoms. The mass and position of all atoms passed to the actionPerformed are accumulated and used to compute their center of mass. Calculated COM is obtained via the getData method, which returns an array with the elements of the calculated COM vector, or via the getCOM method, which returns a vector with the calculated COM. Calculation is zeroed via the reset method.

A typical use of this class would have it passed to the allAtoms method of an iterator, or wrapped in an AtomGroupAction to calculate the COM of the atoms in an atom group.

See Also:

Serialized Form

Constructor Summary

Constructors

Constructor	Description
MoleculePositionCOM(Space space)

Method Summary

Modifier and Type	Method	Description
Vector	position(IMolecule molecule)	Returns the defined position for the given molecule.

Methods inherited from class java.lang.Object

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

Constructor Detail

MoleculePositionCOM

public MoleculePositionCOM(Space space)

Method Detail

position

public Vector position(IMolecule molecule)

Description copied from interface: IMoleculePositionDefinition

Returns the defined position for the given molecule.

Specified by:

position in interface IMoleculePositionDefinition

Parameters:

molecule - a group of atoms for which to define a position