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virtual unsigned int GetRxnRole() const
Return the reaction role of an atom in a reaction molecule/transform.
The set of unsigned integer values for this property are defined in
the namespace OERxnRole. The default value is zero,
OERxnRole::None, which means that the atom does have a role,
i.e. is part of a normal molecule. Other values include
OERxnRole::Reactant, OERxnRole::Agent and
OERxnRole::Product which correspond to reactant, agent and product
atoms in a reaction or transform. The reaction role property may be
set using the OEAtomBase::SetRxnRole method.
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