com.chemaxon.search.transformation

Interface Transformer

All Known Implementing Classes:

Aromatizer

@PublicAPI
public interface Transformer

Transformer. Transforms a Molecule.

Since:

JChem 5.12

Author:

Robert Wagner, Nora Mate, Peter Kovacs (pkovacs84)

Method Summary

Modifier and Type	Method and Description
com.chemaxon.search.transformation.AtomIndexMapper	transform(Molecule mol) Transforms a Molecule.

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:

TransformationException - if there is an error during the transformation