@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, sizeMolecule getMolecule(int index)
index - Structure index