Package chemaxon.alignment

Interface AlignmentResult

All Known Implementing Classes:
MMPAlignmentResult
@PublicApi public interface AlignmentResult
Represents the result of a molecular alignment operation.

  • Method Details

    • getMolecule1Aligned

      Molecule getMolecule1Aligned()
      The molecule with coordinates changed to fulfill the alignment requested by the input parameters.
      Returns:
      a cloned instance of the input molecule1

    • getMolecule2Aligned

      Molecule getMolecule2Aligned()
      The molecule with coordinates changed to fulfill the alignment requested by the input parameters.
      Returns:
      a cloned instance of the input molecule1

    • toMolecule

      Molecule toMolecule()
      The two molecules from getMolecule1Aligned() and getMolecule2Aligned() fused as fragments of a single structure. May contain extra calculated similarity properties.
      Returns:
      a molecule instance