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IMoleculeSet org::openscience::cdk::interfaces::IChemObjectBuilder::newMoleculeSet (  )

Constructs an empty IMoleculeSet.

Returns:
IMoleculeSet implementation defined for this IChemObjectBuilder

Implemented in org::openscience::cdk::debug::DebugChemObjectBuilder, org::openscience::cdk::DefaultChemObjectBuilder, and org::openscience::cdk::nonotify::NoNotificationChemObjectBuilder.

Referenced by org::openscience::cdk::charges::GasteigerPEPEPartialCharges::assignGasteigerPiPartialCharges(), org::openscience::cdk::tools::manipulator::ChemModelManipulator::createNewMolecule(), org::openscience::cdk::tools::manipulator::ChemModelManipulator::getAllAtomContainers(), org::openscience::cdk::tools::manipulator::ReactionSetManipulator::getAllMolecules(), org::openscience::cdk::tools::manipulator::ReactionManipulator::getAllMolecules(), org::openscience::cdk::tools::manipulator::ReactionManipulator::getAllProducts(), org::openscience::cdk::tools::manipulator::ReactionManipulator::getAllReactants(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::getHyperconjugationInteractions(), org::openscience::cdk::tools::manipulator::ReactionSchemeManipulator::getMoleculeSet(), org::openscience::cdk::tools::StructureResonanceGenerator::getStructures(), org::openscience::cdk::reaction::type::TautomerizationReaction::initiate(), org::openscience::cdk::reaction::type::SharingLonePairReaction::initiate(), org::openscience::cdk::reaction::type::SharingChargeSBReaction::initiate(), org::openscience::cdk::reaction::type::SharingChargeDBReaction::initiate(), org::openscience::cdk::reaction::type::SharingAnionReaction::initiate(), org::openscience::cdk::reaction::type::RearrangementRadicalReaction::initiate(), org::openscience::cdk::reaction::type::RearrangementLonePairReaction::initiate(), org::openscience::cdk::reaction::type::RearrangementCationReaction::initiate(), org::openscience::cdk::reaction::type::RearrangementAnionReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteRrGammaReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteRrDeltaReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteRrBetaReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteRrAlphaReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteInitiationReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteInitiationHReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteHrGammaReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteHrDeltaReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteHrBetaReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteHrAlphaReaction::initiate(), org::openscience::cdk::reaction::type::RadicalChargeSiteInitiationReaction::initiate(), org::openscience::cdk::reaction::type::RadicalChargeSiteInitiationHReaction::initiate(), org::openscience::cdk::reaction::type::HyperconjugationReaction::initiate(), org::openscience::cdk::reaction::type::HomolyticCleavageReaction::initiate(), org::openscience::cdk::reaction::type::HeterolyticCleavageSBReaction::initiate(), org::openscience::cdk::reaction::type::HeterolyticCleavagePBReaction::initiate(), org::openscience::cdk::reaction::type::ElectronImpactSDBReaction::initiate(), org::openscience::cdk::reaction::type::ElectronImpactPDBReaction::initiate(), org::openscience::cdk::reaction::type::ElectronImpactNBEReaction::initiate(), org::openscience::cdk::reaction::type::CarbonylEliminationReaction::initiate(), org::openscience::cdk::reaction::type::AdductionSodiumLPReaction::initiate(), org::openscience::cdk::reaction::type::AdductionProtonPBReaction::initiate(), org::openscience::cdk::reaction::type::AdductionProtonLPReaction::initiate(), org::openscience::cdk::tools::IonizationPotentialTool::initiateIonization(), org::openscience::cdk::tools::manipulator::ChemModelManipulator::newChemModel(), org::openscience::cdk::graph::ConnectivityChecker::partitionIntoMolecules(), org::openscience::cdk::io::SMILESReader::read(), org::openscience::cdk::io::Mol2Reader::read(), org::openscience::cdk::io::ZMatrixReader::readChemFile(), org::openscience::cdk::io::XYZReader::readChemFile(), org::openscience::cdk::io::PDBReader::readChemFile(), org::openscience::cdk::io::MDLV2000Reader::readChemFile(), org::openscience::cdk::io::MDLReader::readChemFile(), org::openscience::cdk::io::INChIPlainTextReader::readChemFile(), org::openscience::cdk::io::HINReader::readChemFile(), org::openscience::cdk::io::GamessReader::readChemFile(), org::openscience::cdk::io::Gaussian98Reader::readCoordinates(), org::openscience::cdk::io::Gaussian03Reader::readCoordinates(), and org::openscience::cdk::io::HINWriter::write().


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