etomica.models.water
Class SpeciesWater3POriented

java.lang.Object
  etomica.species.Species
      etomica.species.SpeciesOriented
          etomica.models.water.SpeciesWater3POriented

All Implemented Interfaces:

ISpecies, ISpeciesOriented

public class SpeciesWater3POriented
extends SpeciesOriented

Field Summary

protected AtomTypeSphere	hType
static int	indexH1
static int	indexH2
static int	indexO
protected boolean	isDynamic
protected AtomTypeSphere	oType
protected ISpace	space

Fields inherited from class etomica.species.SpeciesOriented

mass, moment

Fields inherited from class etomica.species.Species

childTypes, conformation, index

Constructor Summary

SpeciesWater3POriented(ISpace space, boolean isDynamic)

Method Summary

AtomTypeSphere	getHydrogenType()
int	getNumLeafAtoms()
AtomTypeSphere	getOxygenType()
IMolecule	makeMolecule() Builds and returns the IMolecule of this ISpecies.

Methods inherited from class etomica.species.SpeciesOriented

getMass, getMomentOfInertia, init

Methods inherited from class etomica.species.Species

addChildType, getAtomType, getAtomTypeCount, getConformation, getIndex, getSpecies, initializeConformation, removeChildType, setConformation, setIndex

Methods inherited from class java.lang.Object

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

Methods inherited from interface etomica.api.ISpecies

getAtomType, getAtomTypeCount, getIndex, initializeConformation, setIndex

Field Detail

indexH1

public static final int indexH1

See Also:

Constant Field Values

indexH2

public static final int indexH2

See Also:

Constant Field Values

indexO

public static final int indexO

See Also:

Constant Field Values

space

protected final ISpace space

oType

protected final AtomTypeSphere oType

hType

protected final AtomTypeSphere hType

isDynamic

protected final boolean isDynamic

Constructor Detail

SpeciesWater3POriented

public SpeciesWater3POriented(ISpace space,
                              boolean isDynamic)

Method Detail

makeMolecule

public IMolecule makeMolecule()

Description copied from interface: ISpecies

Builds and returns the IMolecule of this ISpecies.

getHydrogenType

public AtomTypeSphere getHydrogenType()

getOxygenType

public AtomTypeSphere getOxygenType()

getNumLeafAtoms

public int getNumLeafAtoms()