org.simtk.molecularstructure
Class MolecularClass

java.lang.Object
  org.simtk.molecularstructure.MolecularClass

All Implemented Interfaces:

MassBody, Chemical, Molecular

Direct Known Subclasses:

MoleculeClass, MoleculeCollection, ResidueClass

public class MolecularClass
extends java.lang.Object
implements Molecular

Constructor Summary

MolecularClass()

MolecularClass(AtomSet atomSet)

Method Summary

java.util.Set<Atom>	atoms()
Plane3D	bestPlane3D()
Vector3D	getCenterOfMass()
double	getMass()

Methods inherited from class java.lang.Object

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

Constructor Detail

MolecularClass

public MolecularClass()

MolecularClass

public MolecularClass(AtomSet atomSet)

Method Detail

atoms

public java.util.Set<Atom> atoms()

Specified by:

atoms in interface Molecular

getMass

public double getMass()

Specified by:

getMass in interface MassBody

getCenterOfMass

public Vector3D getCenterOfMass()

Specified by:

getCenterOfMass in interface MassBody

bestPlane3D

public Plane3D bestPlane3D()
                    throws InsufficientPointsException

Specified by:

bestPlane3D in interface Molecular

Throws:

InsufficientPointsException