/* * CheckAgainstAdjacencyFile.hpp * * Created on: Mar 3, 2011 * Author: heber */ #ifndef CHECKAGAINSTADJACENCYFILE_HPP_ #define CHECKAGAINSTADJACENCYFILE_HPP_ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include #include class atom; class CheckAgainstAdjacencyFile { public: CheckAgainstAdjacencyFile(); ~CheckAgainstAdjacencyFile(); bool operator()(std::ifstream &File, std::map ListOfAtoms); private: enum {MAXBONDS=8}; int *CurrentBonds; bool status; int NonMatchNumber; void CompareBonds(const atom *&Walker, size_t &CurrentBondsOfAtom, int AtomNr, std::map &ListOfAtoms); }; #endif /* CHECKAGAINSTADJACENCYFILE_HPP_ */