| Package | Description |
|---|---|
| de.bioforscher.singa.structure.algorithms.molecules | |
| de.bioforscher.singa.structure.algorithms.superimposition |
| Modifier and Type | Method and Description |
|---|---|
static List<LinkedList<MoleculeBond>> |
MoleculePathFinder.findAromaticPath(MoleculeGraph molecule) |
static BiFunction<MoleculeBond,MoleculeBond,Boolean> |
MoleculeIsomorphismFinder.BondConditions.isArbitrary() |
static BiFunction<MoleculeBond,MoleculeBond,Boolean> |
MoleculeIsomorphismFinder.BondConditions.isArbitrary() |
static BiFunction<MoleculeBond,MoleculeBond,Boolean> |
MoleculeIsomorphismFinder.BondConditions.isSameType() |
static BiFunction<MoleculeBond,MoleculeBond,Boolean> |
MoleculeIsomorphismFinder.BondConditions.isSameType() |
| Modifier and Type | Method and Description |
|---|---|
static MoleculeIsomorphism |
MoleculeIsomorphismFinder.of(MoleculeGraph pattern,
MoleculeGraph target,
BiFunction<MoleculeAtom,MoleculeAtom,Boolean> atomCondition,
BiFunction<MoleculeBond,MoleculeBond,Boolean> bondCondition) |
static MoleculeIsomorphism |
MoleculeIsomorphismFinder.of(MoleculeGraph pattern,
MoleculeGraph target,
BiFunction<MoleculeAtom,MoleculeAtom,Boolean> atomCondition,
BiFunction<MoleculeBond,MoleculeBond,Boolean> bondCondition) |
| Constructor and Description |
|---|
MoleculeIsomorphism(RISubgraphFinder<MoleculeAtom,MoleculeBond,Vector2D,Integer,MoleculeGraph> finder) |
| Modifier and Type | Method and Description |
|---|---|
static SubstructureSuperimposition |
FragmentSubstructureSuperimposer.calculateSubstructureSuperimposition(List<LeafSubstructure<?>> reference,
List<LeafSubstructure<?>> candidate,
BiFunction<MoleculeAtom,MoleculeAtom,Boolean> atomCondition,
BiFunction<MoleculeBond,MoleculeBond,Boolean> bondCondition) |
static SubstructureSuperimposition |
FragmentSubstructureSuperimposer.calculateSubstructureSuperimposition(List<LeafSubstructure<?>> reference,
List<LeafSubstructure<?>> candidate,
BiFunction<MoleculeAtom,MoleculeAtom,Boolean> atomCondition,
BiFunction<MoleculeBond,MoleculeBond,Boolean> bondCondition) |
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