CircularFingerprintGenerator.hpp File Reference

Definition of the class CDPL::Descr::CircularFingerprintGenerator. More...

#include <cstddef>
#include <cstdint>
#include <vector>
#include <utility>
#include <functional>
#include <boost/random/linear_congruential.hpp>
#include "CDPL/Descr/APIPrefix.hpp"
#include "CDPL/Chem/AtomPropertyFlag.hpp"
#include "CDPL/Chem/BondPropertyFlag.hpp"
#include "CDPL/Util/BitSet.hpp"

Go to the source code of this file.

Classes
class	CDPL::Descr::CircularFingerprintGenerator
	CircularFingerprintGenerator. More...
class	CDPL::Descr::CircularFingerprintGenerator::DefAtomIdentifierFunctor
	The functor for the generation of ECFP atom identifiers. More...
class	CDPL::Descr::CircularFingerprintGenerator::DefBondIdentifierFunctor
	The default functor for the generation of bond identifiers. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::Descr
	Contains classes and functions related to the generation and processing of pharmacophore and molecule descriptors.

Detailed Description

Definition of the class CDPL::Descr::CircularFingerprintGenerator.