Package etomica.molecule

Class MoleculePositionGeometricCenterAlkaneEH

java.lang.Object

etomica.molecule.MoleculePositionGeometricCenterAlkaneEH

All Implemented Interfaces:

IMoleculePositionDefinition, java.io.Serializable

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

Calculates the geometric center over a set of atoms. The position of the atom or child atoms are accumulated and used to compute their center (unweighted by mass). Calculated center is obtained via the getPosition method. This class is for normal alkane, TraPPE-Explicit Hydrogen only Only carbons are employed to calculate the geometric center

See Also:

Serialized Form

Constructor Summary

Constructors

Constructor	Description
MoleculePositionGeometricCenterAlkaneEH(Space space, ISpecies speciesAlkane)

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

MoleculePositionGeometricCenterAlkaneEH

public MoleculePositionGeometricCenterAlkaneEH(Space space,
                                               ISpecies speciesAlkane)

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