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virtual OESystem::OEIterBase<OEAtomBase> *GetAtoms() const
Return an iterator over all the atoms of a molecule. By default, this returns all the atoms of the molecule in the order they were created. The ordering of the atoms returned by GetAtoms may be modified by OEMolBase::OrderAtoms.
virtual OESystem::OEIterBase<OEAtomBase> *GetAtoms( const OESystem::OEUnaryPredicate<OEChem::OEAtomBase> &) const
Return an iterator over all of the atoms of a molecule that match the specified atom predicate.
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