19 #ifndef OST_CONOP_COMPOUND_LIB_HH
20 #define OST_CONOP_COMPOUND_LIB_HH
23 #include <boost/shared_ptr.hpp>
30 namespace ost {
namespace conop {
51 Date GetCreationDate(
void);
52 String GetOSTVersionUsed(
void);
53 void SetChemLibInfo(
void);
57 void LoadAtomsFromDB(
CompoundPtr comp,
int pk)
const;
58 void LoadBondsFromDB(
CompoundPtr comp,
int pk)
const;
62 CompoundPtr LoadCompoundFromDB(sqlite3_stmt* stmt)
const;
67 bool smiles_available_;
68 bool obsolete_available_;
69 bool charges_available_;
#define DLLEXPORT_OST_CONOP
std::map< String, CompoundPtr > CompoundMap
boost::shared_ptr< CompoundLib > CompoundLibPtr
std::vector< CompoundPtr > CompoundPtrList
boost::shared_ptr< Compound > CompoundPtr