29 #include <libxml/parser.h> 58 typedef std::map<std::string, SymbolResidue>::iterator ResidueIterator;
106 std::map<std::string, bool>
const &
GetSymbols ()
const {
return m_Symbols;}
111 std::map<std::string, std::string>
const &
GetNames ()
const {
return m_Names;}
115 void SetName (
char const *name);
121 void AddSymbol (
char const *symbol);
127 void RemoveSymbol (
char const *symbol);
148 static Residue const *GetResiduebyName (
char const *name);
157 static std::string
const *GetFirstResidueSymbol (ResidueIterator &i);
167 static std::string
const *GetNextResidueSymbol (ResidueIterator &i);
172 virtual bool operator== (G_GNUC_UNUSED
Molecule const &mol)
const {
return false;}
182 std::map<int,int> m_Raw;
183 std::map<std::string, bool> m_Symbols;
184 std::map<std::string, std::string> m_Names;
224 #endif // GCU_RESIDUE_H static unsigned MaxSymbolLength
#define GCU_RO_PROP(type, member)
std::map< std::string, std::string > const & GetNames() const
virtual Residue const * GetResidue(char const *symbol, bool *ambiguous=NULL)
virtual bool Load(xmlNodePtr node)
The Gnome Chemistry Utils C++ classes.
#define GCU_PROT_POINTER_PROP(type, member)
std::map< std::string, bool > const & GetSymbols() const
#define GCU_PROP(type, member)
std::map< int, int > const & GetRawFormula() const