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Sourcecode: cdk version File versions  Download package

String org::openscience::cdk::interfaces::IElement::getSymbol (  ) [inherited]

Returns the element symbol of this element.

Returns:
The element symbol of this element. Null if unset.
See also:
setSymbol

Implemented in org::openscience::cdk::debug::DebugAtom, org::openscience::cdk::debug::DebugAtomType, org::openscience::cdk::debug::DebugElement, org::openscience::cdk::debug::DebugFragmentAtom, org::openscience::cdk::debug::DebugIsotope, org::openscience::cdk::debug::DebugPseudoAtom, and org::openscience::cdk::Element.

Referenced by org::openscience::cdk::geometry::AtomTools::add3DCoordinates1(), org::openscience::cdk::modeling::builder3d::AtomTetrahedralLigandPlacer3D::add3DCoordinatesForSinglyBondedLigands(), org::openscience::cdk::tools::GenerateFragments::addPathFragments(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::allHeavyAtomsPlaced(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::assignGasteigerPiPartialCharges(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::assignPiFactors(), org::openscience::cdk::protein::ProteinPocketFinder::assignProteinToGrid(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::assignrPiMarsilliFactors(), org::openscience::cdk::tools::HOSECodeGenerator::breadthFirstSearch(), org::openscience::cdk::qsar::descriptors::molecular::LongestAliphaticChainDescriptor::breadthFirstSearch(), org::openscience::cdk::qsar::descriptors::molecular::LargestPiSystemDescriptor::breadthFirstSearch(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::WHIMDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::WeightedPathDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::TPSADescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::RotatableBondsCountDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::MomentOfInertiaDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::LongestAliphaticChainDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::HBondDonorCountDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::HBondAcceptorCountDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::GravitationalIndexDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::BPolDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::BCUTDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::AutocorrelationDescriptorPolarizability::calculate(), org::openscience::cdk::qsar::descriptors::molecular::APolDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::bond::AtomicNumberDifferenceDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::atomic::InductiveAtomicSoftnessDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::atomic::InductiveAtomicHardnessDescriptor::calculate(), org::openscience::cdk::tools::SaturationChecker::calculateNumberOfImplicitHydrogens(), org::openscience::cdk::qsar::descriptors::molecular::IPMolecularLearningDescriptor::calculatePlus(), org::openscience::cdk::isomorphism::UniversalIsomorphismTester::checkSingleAtomCases(), org::openscience::cdk::config::AtomTypeFactory::configure(), org::openscience::cdk::tools::SaturationChecker::couldMatchAtomType(), org::openscience::cdk::atomtype::CDKAtomTypeMatcher::countAttachedDoubleBonds(), org::openscience::cdk::tools::manipulator::AtomContainerManipulator::countExplicitHydrogens(), org::openscience::cdk::qsar::descriptors::molecular::ChiIndexUtils::deltavPhosphorous(), org::openscience::cdk::qsar::descriptors::molecular::ChiIndexUtils::deltavSulphur(), org::openscience::cdk::Element::Element(), org::openscience::cdk::qsar::descriptors::molecular::ChiIndexUtils::evalValenceIndex(), org::openscience::cdk::tools::IonizationPotentialTool::familyHalogen(), org::openscience::cdk::qsar::descriptors::atomic::ProtonAffinityHOSEDescriptor::familyHalogen(), org::openscience::cdk::qsar::descriptors::atomic::IPAtomicHOSEDescriptor::familyHalogen(), org::openscience::cdk::tools::IonizationPotentialTool::familyNitrogen(), org::openscience::cdk::tools::IonizationPotentialTool::familyOxygen(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::findHeavyAtomsInChain(), org::openscience::cdk::atomtype::EStateAtomTypeMatcher::findMatchingAtomType(), org::openscience::cdk::fingerprint::Fingerprinter::findPathes(), org::openscience::cdk::layout::StructureDiagramGenerator::generateExperimentalCoordinates(), org::openscience::cdk::inchi::InChIGenerator::generateInchiFromCDKAtomContainer(), org::openscience::cdk::smiles::SmilesGenerator::generateMassString(), org::openscience::cdk::renderer::color::CPKAtomColors::getAtomColor(), org::openscience::cdk::renderer::color::CDK2DAtomColors::getAtomColor(), org::openscience::cdk::charges::InductivePartialCharges::getAtomicChargeIncrement(), org::openscience::cdk::charges::InductivePartialCharges::getAtomicSoftnessCore(), org::openscience::cdk::isomorphism::UniversalIsomorphismTester::getCommonSymbol(), org::openscience::cdk::tools::manipulator::MolecularFormulaManipulator::getDBE(), org::openscience::cdk::config::IsotopeFactory::getElementSymbol(), org::openscience::cdk::geometry::GeometryTools::getHeavyAtomRMSD(), org::openscience::cdk::tools::manipulator::MolecularFormulaManipulator::getHeavyElements(), org::openscience::cdk::tools::manipulator::MolecularFormulaManipulator::getHTML(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::getHyperconjugationInteractions(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getIfCarbonIsHydrophobic(), org::openscience::cdk::charges::Polarizability::getKJPolarizabilityFactor(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::getNextPlacedHeavyAtomWithUnplacedAliphaticNeighbour(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::getNextPlacedHeavyAtomWithUnplacedRingNeighbour(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::getNextUnplacedHeavyAtomWithAliphaticPlacedNeighbour(), org::openscience::cdk::charges::Polarizability::getNumberOfHydrogen(), org::openscience::cdk::formula::rules::RDBERule::getOxidationState(), org::openscience::cdk::charges::InductivePartialCharges::getPaulingElectronegativities(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getPiSystemsCount(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::getPlacedHeavyAtom(), org::openscience::cdk::modeling::builder3d::AtomTetrahedralLigandPlacer3D::getPlacedHeavyAtomInAtomContainer(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::getPlacedHeavyAtoms(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getPresenceOfCarbonil(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getPresenceOfHydroxy(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getPresenceOfNitro(), org::openscience::cdk::formula::rules::RDBERule::getRDBEValue(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::getUnplacedRingHeavyAtom(), org::openscience::cdk::reaction::type::TautomerizationReaction::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::CarbonylEliminationReaction::initiate(), org::openscience::cdk::aromaticity::AromaticityCalculator::isAromatic(), org::openscience::cdk::smiles::SmilesGenerator::isEndOfDoubleBond(), org::openscience::cdk::geometry::BondTools::isEndOfDoubleBond(), org::openscience::cdk::modeling::builder3d::ForceFieldConfigurator::isHeteroRingSystem(), org::openscience::cdk::isomorphism::UniversalIsomorphismTester::isIsomorph(), org::openscience::cdk::isomorphism::IsomorphismTester::isIsomorphic(), org::openscience::cdk::smiles::SmilesGenerator::isStartOfDoubleBond(), org::openscience::cdk::geometry::BondTools::isStartOfDoubleBond(), org::openscience::cdk::isomorphism::UniversalIsomorphismTester::isSubgraph(), org::openscience::cdk::formula::MolecularFormulaRange::isTheSame(), org::openscience::cdk::formula::AdductFormula::isTheSame(), org::openscience::cdk::isomorphism::matchers::SymbolSetQueryAtom::matches(), org::openscience::cdk::isomorphism::matchers::SymbolQueryAtom::matches(), org::openscience::cdk::isomorphism::matchers::SymbolChargeIDQueryAtom::matches(), org::openscience::cdk::isomorphism::matchers::SymbolAndChargeQueryAtom::matches(), org::openscience::cdk::isomorphism::matchers::smarts::PeriodicGroupNumberAtom::matches(), org::openscience::cdk::isomorphism::matchers::smarts::NonCHHeavyAtom::matches(), org::openscience::cdk::isomorphism::matchers::smarts::HydrogenAtom::matches(), org::openscience::cdk::isomorphism::matchers::smarts::AtomicNumberAtom::matches(), org::openscience::cdk::isomorphism::matchers::smarts::AromaticSymbolAtom::matches(), org::openscience::cdk::isomorphism::matchers::smarts::AnyAtom::matches(), org::openscience::cdk::isomorphism::matchers::smarts::AliphaticSymbolAtom::matches(), org::openscience::cdk::isomorphism::matchers::InverseSymbolSetQueryAtom::matches(), org::openscience::cdk::tools::SaturationChecker::newSaturate(), org::openscience::cdk::tools::HOSECodeGenerator::nextSphere(), org::openscience::cdk::formula::MassToFormulaTool::orderList(), org::openscience::cdk::smiles::SmilesGenerator::parseAtom(), org::openscience::cdk::smiles::SmilesParser::parseString(), org::openscience::cdk::graph::invariant::EquivalentClassPartitioner::prepareNode(), org::openscience::cdk::PseudoAtom::PseudoAtom(), org::openscience::cdk::io::PDBReader::readAtom(), org::openscience::cdk::io::PMPReader::readChemFile(), org::openscience::cdk::tools::manipulator::AtomContainerManipulator::removeHydrogens(), org::openscience::cdk::tools::AtomTypeTools::ringSystemClassifier(), org::openscience::cdk::tools::SaturationChecker::saturate(), org::openscience::cdk::tools::SmilesValencyChecker::saturateByIncreasingBondOrder(), org::openscience::cdk::modeling::builder3d::ModelBuilder3D::searchAndPlaceBranches(), org::openscience::cdk::reaction::type::TautomerizationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteInitiationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteInitiationHReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteHrGammaReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteHrDeltaReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteHrBetaReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteHrAlphaReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalChargeSiteInitiationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalChargeSiteInitiationHReaction::setActiveCenters(), org::openscience::cdk::reaction::type::HyperconjugationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::CarbonylEliminationReaction::setActiveCenters(), org::openscience::cdk::modeling::builder3d::ForceFieldConfigurator::setAtom(), org::openscience::cdk::isomorphism::UniversalIsomorphismTester::testSubgraphHeuristics(), org::openscience::cdk::formula::rules::MMElementRule::validate(), org::openscience::cdk::formula::rules::ElementRule::validate(), org::openscience::cdk::io::CrystClustWriter::writeCrystal(), org::openscience::cdk::io::XYZWriter::writeMolecule(), org::openscience::cdk::io::program::GaussianInputWriter::writeMolecule(), org::openscience::cdk::io::PDBWriter::writeMolecule(), org::openscience::cdk::io::Mol2Writer::writeMolecule(), org::openscience::cdk::io::MDLWriter::writeMolecule(), org::openscience::cdk::io::HINWriter::writeMolecule(), and org::openscience::cdk::pharmacophore::PharmacophoreUtils::writePharmacophoreDefinition().


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