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 chemaxon.struc.MolBond.java
chemaxon.struc.QueryBond.javachemaxon.struc.MoleculeGraph.java
chemaxon.struc.Molecule.java:
allows S-groups in a molecule chemaxon.struc.RgMolecule.java:
represents R-group structureschemaxon.struc.RxnMolecule.java:
represents chemical reactions
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