19 #ifndef OST_CONOP_COMPOUND_LIB_HH
20 #define OST_CONOP_COMPOUND_LIB_HH
23 #include <boost/shared_ptr.hpp>
26 #include <ost/db/sqlite3.h>
32 namespace ost {
namespace conop {
49 Date GetCreationDate(
void);
50 String GetOSTVersionUsed(
void);
51 void SetChemLibInfo(
void);
55 void LoadAtomsFromDB(
CompoundPtr comp,
int pk)
const;
56 void LoadBondsFromDB(
CompoundPtr comp,
int pk)
const;
60 bool chem_type_available_;
62 bool inchi_available_;
#define DLLEXPORT_OST_CONOP
std::map< String, CompoundPtr > CompoundMap
boost::shared_ptr< CompoundLib > CompoundLibPtr
boost::shared_ptr< Compound > CompoundPtr