/* * atom_bondedparticleinfo.hpp * * Created on: Oct 19, 2009 * Author: heber */ #ifndef ATOM_BONDEDPARTICLEINFO_HPP_ #define ATOM_BONDEDPARTICLEINFO_HPP_ using namespace std; /*********************************************** includes ***********************************/ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include /****************************************** forward declarations *****************************/ class bond; class BondedParticle; #define BondList list /********************************************** declarations *******************************/ class BondedParticleInfo { friend class BondedParticle; public: unsigned char AdaptiveOrder; //!< current present bond order at site (0 means "not set") bool MaxOrder; //!< whether this atom as a root in fragmentation still creates more fragments on higher orders or not BondedParticleInfo(); virtual ~BondedParticleInfo(); /** Pushes back another step in all trajectory vectors. * * This allows to extend all trajectories contained in different classes * consistently. This is implemented by the topmost class which calls the * real functions, \sa AppendTrajectoryStep(), by all necessary subclasses. */ virtual void UpdateSteps()=0; /** Const accessor to ListOfBonds of WorldTime::CurrentTime. * * @return ListOfBonds[WorldTime::CurrentTime] */ const BondList& getListOfBonds() const; /** Accessor to ListOfBonds of WorldTime::CurrentTime. * * Note, new empty BondList is returned if array entry at upper boundary is * accessed. Beyond std will issue exception due to out-of-range access. * * @return ListOfBonds[WorldTime::CurrentTime] */ BondList& getListOfBonds(); /** Const Accessor ListOfBonds of any present time step. * * @param _step time step to access * @return ListOfBonds[_step]. */ const BondList& getListOfBondsAtStep(unsigned int _step) const; /** Accessor ListOfBonds of any present time step. * * Note, new empty BondList is returned if array entry at upper boundary is * accessed. Beyond std will issue exception due to out-of-range access. * * @param _step time step to access * @return ListOfBonds[_step]. */ BondList& getListOfBondsAtStep(unsigned int _step); protected: /** Function used by this and inheriting classes to extend the ListOfBonds * vector. */ void AppendTrajectoryStep(); std::vector ListOfBonds; //!< list of all bonds }; #endif /* ATOM_BONDEDPARTICLEINFO_HPP_ */