Package etomica.potential

Interface P2SemiclassicalMolecular.MoleculeInfo

All Known Implementing Classes:

P2SemiclassicalMolecular.MoleculeInfoBrute

Enclosing class:

P2SemiclassicalMolecular

public static interface P2SemiclassicalMolecular.MoleculeInfo

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.

Method Detail

getMass

double getMass(IMolecule molecule)

Returns the mass of the molecule.

getMomentAndAxes

Vector[] getMomentAndAxes(IMolecule molecule)

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.