etomica.paracetamol

Class SpeciesParacetamol

java.lang.Object

etomica.species.Species

etomica.paracetamol.SpeciesParacetamol

All Implemented Interfaces:

ISpecies, java.io.Serializable

public class SpeciesParacetamol
extends Species

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected AtomTypeLeaf	cType
static double[]	Echarge
protected AtomTypeLeaf	hpType
protected AtomTypeLeaf	hyType
static int[]	indexC
static int[]	indexH
static int[]	indexHp
static int[]	indexN
static int[]	indexO
protected boolean	isDynamic
protected AtomTypeLeaf	nType
protected AtomTypeLeaf	oType
protected ISpace	space

Fields inherited from class etomica.species.Species

childTypes, conformation, index

Constructor Summary

Constructors

Constructor and Description
SpeciesParacetamol(ISpace _space, boolean isDynamic)

Method Summary

Modifier and Type	Method and Description
IAtomType	getCType()
IAtomType	getHpType()
IAtomType	getHyType()
IAtomType	getNType()
int	getNumLeafAtoms()
IAtomType	getOType()
protected IAtom	makeLeafAtom(IAtomType leafType)
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

indexC

public static final int[] indexC

indexH

public static final int[] indexH

indexHp

public static final int[] indexHp

indexO

public static final int[] indexO

indexN

public static final int[] indexN

Echarge

public static final double[] Echarge

space

protected final ISpace space

isDynamic

protected final boolean isDynamic

cType

protected final AtomTypeLeaf cType

oType

protected final AtomTypeLeaf oType

nType

protected final AtomTypeLeaf nType

hpType

protected final AtomTypeLeaf hpType

hyType

protected final AtomTypeLeaf hyType

Constructor Detail

SpeciesParacetamol

public SpeciesParacetamol(ISpace _space,
                          boolean isDynamic)

Method Detail

makeMolecule

public IMolecule makeMolecule()

Description copied from interface: etomica.api.ISpecies

Builds and returns the IMolecule of this ISpecies.

makeLeafAtom

protected IAtom makeLeafAtom(IAtomType leafType)

getNumLeafAtoms

public int getNumLeafAtoms()

getCType

public IAtomType getCType()

getOType

public IAtomType getOType()

getNType

public IAtomType getNType()

getHpType

public IAtomType getHpType()

getHyType

public IAtomType getHyType()