Package etomica.potential

Class P2SemiclassicalMolecular.MoleculeInfoBrute

java.lang.Object

etomica.potential.P2SemiclassicalMolecular.MoleculeInfoBrute

All Implemented Interfaces:

P2SemiclassicalMolecular.MoleculeInfo

Enclosing class:

P2SemiclassicalMolecular

public static class P2SemiclassicalMolecular.MoleculeInfoBrute
extends java.lang.Object
implements P2SemiclassicalMolecular.MoleculeInfo

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	cm
protected Tensor	id
protected Tensor	moment
protected Tensor	momentj
protected Vector	rj
protected Tensor	rjrj
protected Vector[]	rv

Constructor Summary

Constructors

Constructor	Description
MoleculeInfoBrute(Space space)

Method Summary

Modifier and Type	Method	Description
double	getMass(IMolecule molecule)	Returns the mass of the molecule.
Vector[]	getMomentAndAxes(IMolecule molecule)	Returns the moment of inertia as a vector containing Ix, Iy, Iz and also the principle axes.

Methods inherited from class java.lang.Object

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

Field Detail

cm

protected final Vector cm

rj

protected final Vector rj

id

protected final Tensor id

moment

protected final Tensor moment

momentj

protected final Tensor momentj

rjrj

protected final Tensor rjrj

rv

protected final Vector[] rv

Constructor Detail

MoleculeInfoBrute

public MoleculeInfoBrute(Space space)

Method Detail

getMass

public double getMass(IMolecule molecule)

Description copied from interface: P2SemiclassicalMolecular.MoleculeInfo

Returns the mass of the molecule.

Specified by:

getMass in interface P2SemiclassicalMolecular.MoleculeInfo

getMomentAndAxes

public Vector[] getMomentAndAxes(IMolecule molecule)

Description copied from interface: P2SemiclassicalMolecular.MoleculeInfo

Returns the moment of inertia as a vector containing Ix, Iy, Iz and also the principle axes. The 0 element is the moment of inertia vector while elements 1, 2 and 3 are the principle axes.

Specified by:

getMomentAndAxes in interface P2SemiclassicalMolecular.MoleculeInfo