Uses of Class
de.bioforscher.singa.structure.model.molecules.MoleculeGraph

Packages that use MoleculeGraph

Package	Description
de.bioforscher.singa.structure.algorithms.molecules
de.bioforscher.singa.structure.model.molecules

Uses of MoleculeGraph in de.bioforscher.singa.structure.algorithms.molecules

Methods in de.bioforscher.singa.structure.algorithms.molecules that return types with arguments of type MoleculeGraph

Modifier and Type	Method and Description
List<MoleculeGraph>	MoleculeIsomorphism.getFullMatches()

Methods in de.bioforscher.singa.structure.algorithms.molecules with parameters of type MoleculeGraph

Modifier and Type	Method and Description
static List<LinkedList<MoleculeBond>>	MoleculePathFinder.findAromaticPath(MoleculeGraph molecule)
static List<LinkedList<MoleculeAtom>>	MoleculePathFinder.findMultiPathInMolecule(MoleculeGraph molecule, LinkedList<Set<Element>> multiPath)
static List<LinkedList<MoleculeAtom>>	MoleculePathFinder.findPathInMolecule(MoleculeGraph molecule, LinkedList<Element> path)
List<de.bioforscher.singa.core.utility.Pair<MoleculeAtom>>	MoleculeIsomorphism.getAtomPairs(MoleculeGraph fullMatch)
static MoleculeIsomorphism	MoleculeIsomorphismFinder.of(MoleculeGraph pattern, MoleculeGraph target)
static MoleculeIsomorphism	MoleculeIsomorphismFinder.of(MoleculeGraph pattern, MoleculeGraph target, BiFunction<MoleculeAtom,MoleculeAtom,Boolean> atomCondition, BiFunction<MoleculeBond,MoleculeBond,Boolean> bondCondition)

Constructor parameters in de.bioforscher.singa.structure.algorithms.molecules with type arguments of type MoleculeGraph

Constructor and Description
MoleculeIsomorphism(RISubgraphFinder<MoleculeAtom,MoleculeBond,Vector2D,Integer,MoleculeGraph> finder)

Uses of MoleculeGraph in de.bioforscher.singa.structure.model.molecules

Methods in de.bioforscher.singa.structure.model.molecules that return MoleculeGraph

Modifier and Type	Method and Description
static MoleculeGraph	MoleculeGraphs.createMoleculeGraphFromStructure(OakLeafSubstructure<?> leafSubstructure)

Methods in de.bioforscher.singa.structure.model.molecules with parameters of type MoleculeGraph

Modifier and Type	Method and Description
static int	MoleculeGraphs.countAtomsOfElement(MoleculeGraph graph, Element element)
static List<LinkedList<MoleculeAtom>>	MoleculeGraphs.findMultiPathOfElements(MoleculeGraph graph, LinkedList<Set<Element>> path)
static List<LinkedList<MoleculeAtom>>	MoleculeGraphs.findPathOfElements(MoleculeGraph graph, LinkedList<Element> path)
static void	MoleculeGraphs.replaceAromaticsWithDoubleBonds(MoleculeGraph graph)