Lines Matching refs:Residue

35   void Residue::set_has_bonds(bool tf) {  in set_has_bonds()
57 bool Residue::has_atom(Residue::Atom_label ial) const { in has_atom()
58 Residue::Atom_label al= Residue_data::fix_atom_label(label_, ial); in has_atom()
71 bool Residue::can_have_atom(Residue::Atom_label ial) const { in can_have_atom()
73 Residue::Atom_label al= Residue_data::fix_atom_label(label_, ial); in can_have_atom()
88 const Atom &Residue::atom(Residue::Atom_label al) const { in atom()
89 Residue::Atom_label fal= Residue_data::fix_atom_label(label_, al); in atom()
102 void Residue::set_atom(Residue::Atom_label ial, const Atom &a) { in set_atom()
103 Residue::Atom_label al= Residue_data::fix_atom_label(label_, ial); in set_atom()
135 Residue::Type Residue::type() const { in type()
139 void Residue::dump(std::ostream &out) const { in dump()
141 … const std::vector<Residue::Atom_label> &valid_atoms= Residue_data::amino_acid_data_[type()].atoms; in dump()
143 Residue::Atom_label al= valid_atoms[i]; in dump()
144 out << Residue::atom_label_string(al); //Residue::write_atom_label(al, out); in dump()
154 bool operator()(const std::pair<Residue::Atom_label, Atom> &a, in operator ()()
155 const std::pair<Residue::Atom_label, Atom>&b) const { in operator ()()
160 void Residue::write(char chain, std::ostream &out) const { in write()
176 static_cast<unsigned int>(a.index()), Residue::atom_label_string(al).c_str(), alt, in write()
177Residue::type_string(type()).c_str(), chain, static_cast<unsigned int>(index()), insertion_residue… in write()
185 Atom::Index Residue::last_atom_index() const { in last_atom_index()
195 unsigned int Residue::number_of_atoms() const { in number_of_atoms()
199 unsigned int Residue::number_of_bonds() const { in number_of_bonds()
204 void Residue::set_index(Residue::Index i) { in set_index()
209 Residue::Atom_label Residue::atom_label(Atom::Index model_index) const{ in atom_label()
221 Atom::Index Residue::index(Residue::Atom_label al) const { in index()
225 Residue::Atoms_iterator Residue::atoms_iterator_from_index(Atom::Index ind) { in atoms_iterator_from_index()
233 Residue::Const_atoms_iterator Residue::atoms_iterator_from_index(Atom::Index ind) const { in atoms_iterator_from_index()
245 Residue::Residue(Type al): atoms_(20), label_(al){ in Residue() function in dsrpdb::Residue
251 Point Residue::sidechain_point() const { in sidechain_point()
280 Residue::Atom_label Residue::atom_label(const char *nm) { in atom_label()
291 return Residue::AL_OTHER; in atom_label()
298 Atom::Type Residue::element(Atom_label al){ in element()
300 for (unsigned int i=0; Residue_data::atom_name_data_[i].l != Residue::AL_INVALID; ++i){ in element()
313 std::string Residue::atom_label_string(Atom_label al) { in atom_label_string()
315 for (unsigned int i=0; Residue_data::atom_name_data_[i].l != Residue::AL_INVALID; ++i){ in atom_label_string()
333 Residue::Type Residue::type(const std::string &s){ in type()
372 std::string Residue::type_string(Residue::Type rl){ in type_string()