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double org::openscience::cdk::interfaces::IBond::getOrder (  ) 

Returns the bond order of this bond.

Returns:
The bond order of this bond
See also:
org.openscience.cdk.CDKConstants org.openscience.cdk.CDKConstants for predefined values.

setOrder

Implemented in org::openscience::cdk::Bond, and org::openscience::cdk::debug::DebugBond.

Referenced by org::openscience::cdk::templates::AminoAcids::aaBondInfo(), org::openscience::cdk::applications::jchempaint::action::AdjustBondOrdersAction::actionPerformed(), org::openscience::cdk::modeling::builder3d::ForceFieldConfigurator::assignAtomTyps(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::TPSADescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::RotatableBondsCountDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::BondCountDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::bond::IPBondDescriptor::calculate(), org::openscience::cdk::tools::SaturationChecker::calculateNumberOfImplicitHydrogens(), org::openscience::cdk::qsar::descriptors::molecular::IPMolecularDescriptor::calculatePlus(), org::openscience::cdk::isomorphism::matchers::QueryAtomContainerCreator::createAnyAtomAnyBondContainer(), org::openscience::cdk::isomorphism::matchers::QueryAtomContainerCreator::createAnyAtomContainer(), org::openscience::cdk::isomorphism::matchers::QueryAtomContainerCreator::createAnyAtomForPseudoAtomQueryContainer(), org::openscience::cdk::isomorphism::matchers::QueryAtomContainerCreator::createBasicQueryContainer(), org::openscience::cdk::isomorphism::matchers::QueryAtomContainerCreator::createSymbolAndChargeQueryContainer(), org::openscience::cdk::tools::DeAromatizationTool::deAromatize(), org::openscience::cdk::qsar::ChiIndexUtils::deltavPhosphorous(), org::openscience::cdk::qsar::ChiIndexUtils::deltavSulphur(), org::openscience::cdk::atomtype::EStateAtomTypeMatcher::findMatchingAtomType(), org::openscience::cdk::inchi::InChIGenerator::generateInchiFromCDKAtomContainer(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getAtomTypeXCount(), org::openscience::cdk::tools::manipulator::AtomContainerComparator::getBondOrderSum(), org::openscience::cdk::Ring::getBondOrderSum(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getDoubleBondedCarbonsCount(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getDoubleBondedNitrogenCount(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getDoubleBondedOxygenCount(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getDoubleBondedSulfurCount(), org::openscience::cdk::graph::matrix::ConnectionMatrix::getMatrix(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::getPiSystemsCount(), 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::tools::StructureResonanceGenerator::getStructures(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::getTopologicalFactors(), org::openscience::cdk::reaction::type::RearrangementRadical3Reaction::initiate(), org::openscience::cdk::reaction::type::RearrangementRadical2Reaction::initiate(), org::openscience::cdk::reaction::type::RearrangementRadical1Reaction::initiate(), org::openscience::cdk::reaction::type::RearrangementCation3Reaction::initiate(), org::openscience::cdk::reaction::type::RearrangementCation2Reaction::initiate(), org::openscience::cdk::reaction::type::RearrangementCation1Reaction::initiate(), org::openscience::cdk::reaction::type::RearrangementAnion3Reaction::initiate(), org::openscience::cdk::reaction::type::RearrangementAnion2Reaction::initiate(), org::openscience::cdk::reaction::type::RearrangementAnion1Reaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteInitiationReaction::initiate(), org::openscience::cdk::reaction::type::RadicalSiteInitiationHReaction::initiate(), org::openscience::cdk::reaction::type::HyperconjugationReaction::initiate(), org::openscience::cdk::reaction::type::ElectronImpactPDBReaction::initiate(), org::openscience::cdk::reaction::type::DisplacementChargeFromDonorReaction::initiate(), org::openscience::cdk::reaction::type::DisplacementChargeFromAcceptorReaction::initiate(), org::openscience::cdk::reaction::type::CleavageBondReaction::initiate(), org::openscience::cdk::reaction::type::CleavageBondMultiReaction::initiate(), org::openscience::cdk::reaction::type::CarbonylEliminationReaction::initiate(), org::openscience::cdk::reaction::type::BreakingBondReaction::initiate(), org::openscience::cdk::aromaticity::AromaticityCalculator::isAromatic(), org::openscience::cdk::smiles::SmilesGenerator::isEndOfDoubleBond(), org::openscience::cdk::geometry::BondTools::isEndOfDoubleBond(), org::openscience::cdk::smiles::SmilesGenerator::isStartOfDoubleBond(), org::openscience::cdk::geometry::BondTools::isStartOfDoubleBond(), org::openscience::cdk::isomorphism::matchers::smarts::StereoBond::matches(), org::openscience::cdk::isomorphism::matchers::smarts::OrderQueryBond::matches(), org::openscience::cdk::isomorphism::matchers::OrderQueryBond::matches(), org::openscience::cdk::structgen::RandomGenerator::mutate(), org::openscience::cdk::tools::SaturationChecker::newSaturate(), org::openscience::cdk::smiles::SmilesGenerator::parseAtom(), org::openscience::cdk::smiles::SmilesGenerator::parseBond(), org::openscience::cdk::graph::invariant::EquivalentClassPartitioner::prepareNode(), org::openscience::cdk::isomorphism::UniversalIsomorphismTester::project(), org::openscience::cdk::io::MDLV2000Reader::readMolecule(), org::openscience::cdk::tools::manipulator::AminoAcidManipulator::removeAcidicOxygen(), org::openscience::cdk::structgen::VicinitySampler::sample(), org::openscience::cdk::tools::SaturationChecker::saturate(), org::openscience::cdk::tools::ValencyHybridChecker::saturateByIncreasingBondOrder(), org::openscience::cdk::tools::SmilesValencyChecker::saturateByIncreasingBondOrder(), org::openscience::cdk::reaction::type::RearrangementRadical3Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementRadical2Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementRadical1Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementCation3Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementCation2Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementCation1Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementAnion3Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementAnion2Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementAnion1Reaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteInitiationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteInitiationHReaction::setActiveCenters(), org::openscience::cdk::reaction::type::HyperconjugationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::ElectronImpactPDBReaction::setActiveCenters(), org::openscience::cdk::reaction::type::DisplacementChargeFromDonorReaction::setActiveCenters(), org::openscience::cdk::reaction::type::DisplacementChargeFromAcceptorReaction::setActiveCenters(), org::openscience::cdk::reaction::type::CarbonylEliminationReaction::setActiveCenters(), org::openscience::cdk::isomorphism::UniversalIsomorphismTester::testSubgraphHeuristics(), org::openscience::cdk::io::Mol2Writer::writeMolecule(), org::openscience::cdk::io::MDLWriter::writeMolecule(), and org::openscience::cdk::io::HINWriter::writeMolecule().


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