Logo Search packages:      
Sourcecode: cdk version File versions  Download package

void org::openscience::cdk::interfaces::IChemObject::setFlag ( int  flag_type,
boolean  flag_value 
) [inherited]

Sets the value of some flag.

Parameters:
flag_typeFlag to set
flag_valueValue to assign to flag
See also:
getFlag

Implemented in org::openscience::cdk::ChemObject, org::openscience::cdk::debug::DebugAminoAcid, org::openscience::cdk::debug::DebugAtom, org::openscience::cdk::debug::DebugAtomContainer, org::openscience::cdk::debug::DebugAtomContainerSet, org::openscience::cdk::debug::DebugAtomType, org::openscience::cdk::debug::DebugBioPolymer, org::openscience::cdk::debug::DebugBond, org::openscience::cdk::debug::DebugChemFile, org::openscience::cdk::debug::DebugChemModel, org::openscience::cdk::debug::DebugChemObject, org::openscience::cdk::debug::DebugChemSequence, org::openscience::cdk::debug::DebugCrystal, org::openscience::cdk::debug::DebugElectronContainer, org::openscience::cdk::debug::DebugElement, org::openscience::cdk::debug::DebugFragmentAtom, org::openscience::cdk::debug::DebugIsotope, org::openscience::cdk::debug::DebugLonePair, org::openscience::cdk::debug::DebugMapping, org::openscience::cdk::debug::DebugMolecule, org::openscience::cdk::debug::DebugMoleculeSet, org::openscience::cdk::debug::DebugMonomer, org::openscience::cdk::debug::DebugPolymer, org::openscience::cdk::debug::DebugPseudoAtom, org::openscience::cdk::debug::DebugReaction, org::openscience::cdk::debug::DebugReactionScheme, org::openscience::cdk::debug::DebugReactionSet, org::openscience::cdk::debug::DebugRing, org::openscience::cdk::debug::DebugSingleElectron, and org::openscience::cdk::debug::DebugStrand.

Referenced by org::openscience::cdk::modeling::builder3d::AtomTetrahedralLigandPlacer3D::add3DCoordinatesForSinglyBondedLigands(), org::openscience::cdk::modeling::builder3d::ForceFieldConfigurator::assignAtomTyps(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::assignGasteigerPiPartialCharges(), 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::LargestChainDescriptor::breadthFirstSearch(), org::openscience::cdk::graph::PathTools::breadthFirstSearch(), org::openscience::cdk::graph::PathTools::breadthFirstTargetSearch(), org::openscience::cdk::qsar::descriptors::molecular::LongestAliphaticChainDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::LargestChainDescriptor::calculate(), org::openscience::cdk::layout::RingPlacer::checkAndMarkPlaced(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::cleanFlagReactiveCenter(), org::openscience::cdk::tools::manipulator::AtomContainerManipulator::createAllCarbonAllSingleNonAromaticBondAtomContainer(), org::openscience::cdk::tools::HOSECodeGenerator::createCode(), org::openscience::cdk::smiles::SmilesGenerator::createDFSTree(), org::openscience::cdk::smiles::SmilesGenerator::createSMILESWithoutCheckForMultipleMolecules(), org::openscience::cdk::graph::PathTools::depthFirstTargetSearch(), org::openscience::cdk::graph::invariant::ConjugatedPiSystemsDetector::detect(), org::openscience::cdk::atomtype::EStateAtomTypeMatcher::findMatchingAtomType(), org::openscience::cdk::inchi::InChIToStructure::generateAtomContainerFromInchi(), org::openscience::cdk::layout::StructureDiagramGenerator::generateCoordinates(), org::openscience::cdk::geometry::GeometryTools::getBondLengthRMSD(), org::openscience::cdk::graph::SpanningTree::getCyclicFragmentsContainer(), org::openscience::cdk::tools::HOSECodeGenerator::getHOSECode(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::getHyperconjugationInteractions(), org::openscience::cdk::layout::AtomPlacer::getLongestUnplacedChain(), org::openscience::cdk::tools::HOSECodeGenerator::getSphereCode(), org::openscience::cdk::tools::HOSECodeGenerator::getSpheres(), org::openscience::cdk::layout::StructureDiagramGenerator::handleAliphatics(), org::openscience::cdk::smiles::SmilesParser::handleRing(), org::openscience::cdk::smiles::smarts::SMARTSQueryTool::initializeMolecule(), 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::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::mechanism::RearrangementChargeMechanism::initiate(), org::openscience::cdk::tools::IonizationPotentialTool::initiateIonization(), org::openscience::cdk::graph::ConnectivityChecker::isConnected(), org::openscience::cdk::layout::StructureDiagramGenerator::layoutRingSet(), org::openscience::cdk::modeling::builder3d::ModelBuilder3D::layoutRingSystem(), org::openscience::cdk::layout::TemplateHandler::mapTemplateExact(), org::openscience::cdk::layout::TemplateHandler::mapTemplates(), org::openscience::cdk::layout::AtomPlacer::markNotPlaced(), org::openscience::cdk::modeling::builder3d::AtomPlacer3D::markPlaced(), org::openscience::cdk::layout::AtomPlacer::markPlaced(), org::openscience::cdk::layout::StructureDiagramGenerator::markRingAtoms(), org::openscience::cdk::smiles::SmilesParser::parseString(), org::openscience::cdk::graph::ConnectivityChecker::partitionIntoMolecules(), org::openscience::cdk::layout::RingPlacer::placeConnectedRings(), org::openscience::cdk::layout::StructureDiagramGenerator::placeFirstBond(), org::openscience::cdk::layout::AtomPlacer::placeLinearChain(), org::openscience::cdk::layout::AtomPlacer::populatePolygonCorners(), org::openscience::cdk::isomorphism::UniversalIsomorphismTester::project(), org::openscience::cdk::io::Mol2Reader::readMolecule(), org::openscience::cdk::io::MDLV2000Reader::readMolecule(), org::openscience::cdk::io::MDLReader::readMolecule(), org::openscience::cdk::layout::StructureDiagramGenerator::resetUnplacedRings(), org::openscience::cdk::reaction::type::TautomerizationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::SharingLonePairReaction::setActiveCenters(), org::openscience::cdk::reaction::type::SharingChargeSBReaction::setActiveCenters(), org::openscience::cdk::reaction::type::SharingChargeDBReaction::setActiveCenters(), org::openscience::cdk::reaction::type::SharingAnionReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementRadicalReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementLonePairReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementCationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RearrangementAnionReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteRrGammaReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteRrDeltaReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteRrBetaReaction::setActiveCenters(), org::openscience::cdk::reaction::type::RadicalSiteRrAlphaReaction::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::HomolyticCleavageReaction::setActiveCenters(), org::openscience::cdk::reaction::type::HeterolyticCleavageSBReaction::setActiveCenters(), org::openscience::cdk::reaction::type::HeterolyticCleavagePBReaction::setActiveCenters(), org::openscience::cdk::reaction::type::ElectronImpactSDBReaction::setActiveCenters(), org::openscience::cdk::reaction::type::ElectronImpactPDBReaction::setActiveCenters(), org::openscience::cdk::reaction::type::ElectronImpactNBEReaction::setActiveCenters(), org::openscience::cdk::reaction::type::CarbonylEliminationReaction::setActiveCenters(), org::openscience::cdk::reaction::type::AdductionSodiumLPReaction::setActiveCenters(), org::openscience::cdk::reaction::type::AdductionProtonPBReaction::setActiveCenters(), org::openscience::cdk::reaction::type::AdductionProtonLPReaction::setActiveCenters(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::setAntiFlags(), org::openscience::cdk::modeling::builder3d::ModelBuilder3D::setAtomsToPlace(), org::openscience::cdk::modeling::builder3d::ModelBuilder3D::setAtomsToUnPlaced(), org::openscience::cdk::modeling::builder3d::ModelBuilder3D::setAtomsToUnVisited(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::setFlags(), and org::openscience::cdk::modeling::builder3d::AtomPlacer3D::zmatrixChainToCartesian().


Generated by  Doxygen 1.6.0   Back to index