Interface AtomIndexMapper


@PublicApi public interface AtomIndexMapper
Atom index mapper. Used for mapping atom indexes between the original and the transformed versions of a Molecule object.
Since:
JChem 5.12
  • Method Summary

    Modifier and Type
    Method
    Description
    Returns a mapper from new to old atom indexes.
    Returns a mapper from old to new atom indexes.
  • Method Details

    • getOldToNew

      IntMapper getOldToNew()
      Returns a mapper from old to new atom indexes.
      Returns:
      the old to new mapper
    • getNewToOld

      IntMapper getNewToOld()
      Returns a mapper from new to old atom indexes.
      Returns:
      the new to old mapper