Interface Transformer

    • Method Detail

      • transform

        com.chemaxon.search.transformation.AtomIndexMapper transform​(Molecule mol)
                                                              throws com.chemaxon.search.transformation.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:
        com.chemaxon.search.transformation.TransformationException - if there is an error during the transformation