19 #ifndef OST_CONOP_COMPOUND_LIB_HH
20 #define OST_CONOP_COMPOUND_LIB_HH
23 #include <boost/shared_ptr.hpp>
29 namespace ost {
namespace conop {
46 Date GetCreationDate(
void);
47 String GetOSTVersionUsed(
void);
48 void SetChemLibInfo(
void);
52 void LoadAtomsFromDB(
CompoundPtr comp,
int pk)
const;
53 void LoadBondsFromDB(
CompoundPtr comp,
int pk)
const;
58 bool chem_type_available_;
60 bool inchi_available_;
#define DLLEXPORT_OST_CONOP
std::map< String, CompoundPtr > CompoundMap
boost::shared_ptr< CompoundLib > CompoundLibPtr
boost::shared_ptr< Compound > CompoundPtr