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#Org.openscience.cdk.signature Classes and Interfaces - 5 results found.
NameDescriptionTypePackageFramework
AtomSignature The signature for a molecule rooted at a particular A signature is a description of the connectivity of a molecule, in the formClassorg.openscience.cdk.signatureCDK
MoleculeFromSignatureBuilderBuilds a molecule from a signature.Classorg.openscience.cdk.signatureCDK
MoleculeSignature A molecule signature is a way to produce AtomSignatures and to get the canonical signature string for a molecule.Classorg.openscience.cdk.signatureCDK
OrbitA list of atom indices, and the label of the orbit.Classorg.openscience.cdk.signatureCDK
SignatureQuotientGraphA signature quotient graph has a vertex for every signature symmetry class and an edge for each bond in the molecule between atoms in their class.Classorg.openscience.cdk.signatureCDK