19 #ifndef OST_CONOP_CHEMDICT_PARSER_HH
20 #define OST_CONOP_CHEMDICT_PARSER_HH
32 namespace ost {
namespace io {
44 StarParser(stream), compound_(new conop::Compound(
"UNK")),
45 last_(0), loop_type_(
DONT_KNOW), dialect_(dialect)
48 this->InitPDBXTypeMap();
51 virtual bool OnBeginData(
const StringRef& data_name);
56 const std::vector<StringRef>& columns);
60 virtual void OnEndData();
68 void InitPDBXTypeMap();
88 static std::map<String, mol::ChemClass> tm_;
89 static std::map<String, mol::ChemType> xtm_;
90 std::map<String, int> atom_map_;
ChemdictParser(std::istream &stream, conop::Compound::Dialect dialect)
convenient datatype for referencing character data
parser for the STAR file format
boost::shared_ptr< CompoundLib > CompoundLibPtr
boost::shared_ptr< Compound > CompoundPtr
void SetCompoundLib(const conop::CompoundLibPtr &lib)