etomica.models.water
Class SpeciesWater3P

java.lang.Object
  etomica.species.Species
      etomica.models.water.SpeciesWater3P

All Implemented Interfaces:

ISpecies

public class SpeciesWater3P
extends Species

Species for 3-point water molecule.

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.Species

childTypes, conformation, index

Constructor Summary

SpeciesWater3P(ISpace space)

SpeciesWater3P(ISpace space, boolean isDynamic)

Method Summary

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

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

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

SpeciesWater3P

public SpeciesWater3P(ISpace space)

SpeciesWater3P

public SpeciesWater3P(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 IAtomTypeSphere getHydrogenType()

getOxygenType

public IAtomTypeSphere getOxygenType()

getNumLeafAtoms

public int getNumLeafAtoms()