net.sf.octet.query
Interface MoleculeQueryBuilder

All Superinterfaces:

RepresentationBuilder

All Known Implementing Classes:

BasicMoleculeQueryBuilder

public interface MoleculeQueryBuilder

extends RepresentationBuilder

A builder of MoleculeQueries. MoleculeQueryBuilder enables clients to build MoleculeQueries using the same interface used to build molecular representations. AtomQueries are directly supported through the the overloaded addAtom method.

Author:

Richard Apodaca

Method Summary

AtomProxy	addAtom(AtomQuery query) Returns an AtomProxy representing the specified AtomQuery.
MoleculeQuery	releaseQuery() Returns the MoleculeQuery under construction by this MoleculeQueryBuilder and resets the instruction queue.

Methods inherited from interface net.sf.octet.builder.RepresentationBuilder

addAtom, addBondingSystem, addConfiguration, addElectron, addGammaSequence, addHalfPlane, addHalfPlane, addHydrogens, addOrbital, connect, connect, constrainCenter, constrainLower, constrainUpper, flush, ionizeAntibondingElectrons, ionizeAtom, ionizeBondingElectrons

Method Detail

addAtom

public AtomProxy addAtom(AtomQuery query)

Returns an AtomProxy representing the specified AtomQuery. Rather than matching an exact atomic representation, as is performed when an IsotopicDistribution is used as a parameter, the resulting MoleculeQuery will match query.

Parameters:

query - the AtomQuery that will be matched

Returns:

an AtomProxy representing the specified AtomQuery

releaseQuery

public MoleculeQuery releaseQuery()

Returns the MoleculeQuery under construction by this MoleculeQueryBuilder and resets the instruction queue.

Returns:

the MoleculeQuery under construction by this MoleculeQueryBuilder