SubstructureHistogramCalculator.hpp File Reference

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

#include <cstddef>
#include <vector>
#include <map>
#include <utility>
#include <memory>
#include <functional>
#include "CDPL/Chem/APIPrefix.hpp"
#include "CDPL/Chem/MolecularGraph.hpp"
#include "CDPL/Chem/SubstructureSearch.hpp"
#include "CDPL/Util/BitSet.hpp"

Go to the source code of this file.

Classes
class	CDPL::Chem::SubstructureHistogramCalculator
	Counts occurrences of registered SMARTS substructure queries in a molecular graph, emitting the per-pattern hit counts into a user-supplied histogram container. More...
class	CDPL::Chem::SubstructureHistogramCalculator::Pattern
	Holds a single SMARTS query pattern, its histogram ID, its priority and match-handling flags. 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::SubstructureHistogramCalculator.