ProtonationStateStandardizer.hpp File Reference

Definition of the class CDPL::Chem::ProtonationStateStandardizer. More...

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

Go to the source code of this file.

Classes
class	CDPL::Chem::ProtonationStateStandardizer
	Sets the protation state of molecules according to desired objectives. More...

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

Detailed Description

Definition of the class CDPL::Chem::ProtonationStateStandardizer.