KekuleStructureCalculator.hpp File Reference

Definition of class CDPL::Chem::KekuleStructureCalculator. More...

#include <cstddef>
#include <vector>
#include "CDPL/Chem/APIPrefix.hpp"
#include "CDPL/Util/Array.hpp"
#include "CDPL/Util/BitSet.hpp"

Go to the source code of this file.

Classes
class	CDPL::Chem::KekuleStructureCalculator
	Assigns an alternating single/double bond pattern (Kekulé structure) to the previously undefined bonds of a molecular graph (typically used to convert aromatic-bond annotations into explicit single/double bonds). More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.

Detailed Description

Definition of class CDPL::Chem::KekuleStructureCalculator.