Class | Description |
---|---|
AtomSignature |
The signature for a molecule rooted at a particular
atom.
|
MoleculeFromSignatureBuilder |
Builds a molecule from a signature.
|
MoleculeSignature |
A molecule signature is a way to produce
AtomSignature s and to get
the canonical signature string for a molecule. |
Orbit |
A list of atom indices, and the label of the orbit.
|
SignatureQuotientGraph |
A 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.
|