/* * analysis_bonds.hpp * * Created on: Nov 7, 2009 * Author: heber */ #ifndef ANALYSIS_BONDS_HPP_ #define ANALYSIS_BONDS_HPP_ using namespace std; /*********************************************** includes ***********************************/ // include config.h #ifdef HAVE_CONFIG_H #include #endif /****************************************** forward declarations *****************************/ class element; class molecule; /********************************************** declarations *******************************/ void GetMaxMinMeanBondCount(const molecule * const mol, double &Min, double &Mean, double &Max); void MinMeanMaxBondDistanceBetweenElements(const molecule *mol, element *type1, element *type2, double &Min, double &Mean, double &Max); #endif /* ANALYSIS_BONDS_HPP_ */