const std::string & getOldAtomType() const
Definition: MMFF94AromaticAtomTypeDefinitionTable.hpp:63
unsigned int getAtomicNumber() const
Entry(const std::string &old_type, const std::string &aro_type, unsigned int atomic_no, std::size_t ring_size, std::size_t het_atom_dist, bool im_cation, bool n5_anion)
std::size_t getHeteroAtomDistance() const
const std::string & getAromAtomType() const
void addEntry(const std::string &old_type, const std::string &aro_type, unsigned int atomic_no, std::size_t ring_size, std::size_t het_atom_dist, bool im_cation, bool n5_anion)