Package com.chemaxon.search.transformation

Interface Transformer

All Known Implementing Classes:
Aromatizer
@PublicApi public interface Transformer
Transformer. Transforms a Molecule.
Since:
JChem 5.12

  • Method Details

    • transform

      AtomIndexMapper transform(Molecule mol) throws TransformationException

      Transforms a Molecule. The molecule object is changed during the transformation, the mappings between old and new atom indexes are returned by the transformation.

      TODO: revise this interface, do we really want to force implementations to change the input molecule rather than return a one?
      Parameters:
      mol - the molecule
      Returns:
      AtomIndexMapper between old and new atom indexes
      Throws:
      TransformationException - if there is an error during the transformation