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.java
chemaxon.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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