Class representation

To summarize key aspects of the representation of chemical structures in ChemAxon’s core classes the most relevant classes along with their relationships are presented below in class diagrams.

• chemaxon.struc.MolAtom.java: represents atoms and atomic objects (pseudo atoms, R-atoms, abbreviations etc.) of the molecule

• chemaxon.struc.MolBond.java:represents bonds of the molecule

  • chemaxon.struc.QueryBond.java: extension of MolBond with query features

• chemaxon.struc.MoleculeGraph.java: representation of a chemical structure

  • chemaxon.struc.Molecule.java: extension of MoleculeGraph which allows S-groups in a molecule

  • chemaxon.struc.RgMolecule.java: extension of Molecule which represents R-group structures

  • chemaxon.struc.RxnMolecule.java: extension of Molecule which represents chemical reactions