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IAtomContainer org::openscience::cdk::interfaces::IAtomContainerSet::getAtomContainer ( int  number  )  [inherited]

Returns the AtomContainer at position number in the container.

Parameters:
number The position of the AtomContainer to be returned.
Returns:
The AtomContainer at position number .

Implemented in org::openscience::cdk::AtomContainerSet, org::openscience::cdk::debug::DebugAtomContainerSet, and org::openscience::cdk::debug::DebugMoleculeSet.

Referenced by org::openscience::cdk::applications::jchempaint::action::CreateReactionAction::actionPerformed(), org::openscience::cdk::tools::GenerateFragments::addPathFragments(), org::openscience::cdk::layout::StructureDiagramGenerator::allPlaced(), org::openscience::cdk::layout::RingPlacer::allPlaced(), org::openscience::cdk::modeling::builder3d::ForceFieldConfigurator::assignAtomTyps(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::assignGasteigerPiPartialCharges(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::assignPiFactors(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::assignrPiMarsilliFactors(), org::openscience::cdk::qsar::descriptors::molecular::XLogPDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::molecular::AminoAcidCountDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::bond::ResonancePositiveChargeDescriptor::calculate(), org::openscience::cdk::layout::RingPlacer::checkAndMarkPlaced(), org::openscience::cdk::ringsearch::RingPartitioner::convertToAtomContainer(), org::openscience::cdk::aromaticity::HueckelAromaticityDetector::detectAromaticity(), org::openscience::cdk::reaction::type::HyperconjugationReaction::existAC(), org::openscience::cdk::reaction::type::CleavageBondMultiReaction::existAC(), org::openscience::cdk::tools::GenerateFragments::generateMurckoFragments(), org::openscience::cdk::geometry::GeometryToolsInternalCoordinates::get2DCenter(), org::openscience::cdk::tools::StructureResonanceGenerator::getAllStructures(), org::openscience::cdk::fingerprint::SubstructureFingerprinter::getFingerprint(), org::openscience::cdk::layout::TemplateHandler::getMappedSubstructures(), org::openscience::cdk::geometry::GeometryTools::getMinMax(), org::openscience::cdk::tools::manipulator::RingSetManipulator::getMostComplexRing(), org::openscience::cdk::applications::jchempaint::JChemPaintEditorPanel::layoutInTable(), org::openscience::cdk::layout::StructureDiagramGenerator::markRingAtoms(), org::openscience::cdk::ringsearch::RingPartitioner::partitionRings(), org::openscience::cdk::layout::RingPlacer::placeRingSubstituents(), org::openscience::cdk::smiles::DeduceBondSystemTool::removeExtraRings(), org::openscience::cdk::layout::StructureDiagramGenerator::resetUnplacedRings(), org::openscience::cdk::tools::manipulator::RingSetManipulator::ringAlreadyInSet(), org::openscience::cdk::reaction::type::HydrogenRearrangementGammaReaction::setActiveCenters(), org::openscience::cdk::reaction::type::HydrogenRearrangementDeltaReaction::setActiveCenters(), org::openscience::cdk::aromaticity::HueckelAromaticityDetector::setRingFlags(), and org::openscience::cdk::smiles::DeduceBondSystemTool::storeRingSystem().


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