30 #ifndef CDPL_FORCEFIELD_TOPOLOGICALATOMDISTANCEFUNCTION_HPP
31 #define CDPL_FORCEFIELD_TOPOLOGICALATOMDISTANCEFUNCTION_HPP
Abstract base class representing a chemical atom and its bonded neighborhood.
Definition: Atom.hpp:57
Abstract base class for representations of a chemical structure as a graph of bonded atoms.
Definition: MolecularGraph.hpp:57
std::function< std::size_t(const Chem::Atom &, const Chem::Atom &, const Chem::MolecularGraph &)> TopologicalAtomDistanceFunction
Generic wrapper class used to store a user-defined topological atom-pair distance function.
Definition: TopologicalAtomDistanceFunction.hpp:53
The namespace of the Chemical Data Processing Library.