jsci.chemistry

Class Molecule

java.lang.Object

jsci.physics.Particle

jsci.chemistry.Molecule

All Implemented Interfaces:

java.io.Serializable

Direct Known Subclasses:

AminoAcid

public class Molecule
extends Particle

A class representing molecules.

See Also:

Serialized Form

Constructor Summary

Constructors

Constructor and Description
Molecule(Atom[] a) Constructs a molecule from an array of atoms.
Molecule(Atom a, Atom b) Constructs a molecule from two atoms.
Molecule(java.lang.String formula) Constructs a molecule from a chemical formula.

Method Summary

Modifier and Type	Method and Description
Molecule	bind(Atom a) Binds with an atom.
Molecule	bind(Molecule m) Binds with a molecule.
java.util.Set	getAtoms() Returns the atoms in this molecule.

Methods inherited from class java.lang.Object

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

Constructor Detail

Molecule

public Molecule(java.lang.String formula)

Constructs a molecule from a chemical formula.

Molecule

public Molecule(Atom a,
                Atom b)

Constructs a molecule from two atoms.

Molecule

public Molecule(Atom[] a)

Constructs a molecule from an array of atoms.

Method Detail

getAtoms

public java.util.Set getAtoms()

Returns the atoms in this molecule.

bind

public Molecule bind(Atom a)

Binds with an atom.

Returns:

this.

bind

public Molecule bind(Molecule m)

Binds with a molecule.

Returns:

this.