@Beta @PublicAPI public interface MolInput extends DissimilarityInput
MolInputBuilder
to construct an instance for Molecule
objects.
Please note that this class is marked with @Beta annotation, so it can be subject of incompatible changes or removal in later releases.
Modifier and Type | Method and Description |
---|---|
Molecule |
getMolecule(int index)
Retrieve a structure.
|
dissimilarity, getMetricMetadata, size
Molecule getMolecule(int index)
index
- Structure index