haatbasdb.h

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#ifndef HAATBASDB_H
#define HAATBASDB_H

#include "hastl.h"
#include "haatombasis.h"


class HaAtomBasisRef
{
public:
        HaAtomBasisRef();
    HaAtomBasisRef(const HaString & bsid, const HaString & atom_smb);
        virtual ~HaAtomBasisRef();

friend class HaAtomBasisDB;
 
bool operator == (const HaAtomBasisRef & rhs) const;
bool operator <  (const HaAtomBasisRef & rhs) const;
 
protected:
        HaString BasName;    // Name of the basis set
        HaString AtomSymbol; // Atom symbol
};


class HaAtBasDB 
{
public:
  HaAtBasDB(void);
  virtual ~HaAtBasDB(void);
 
  bool Init();
  bool AddAtomBasis(const HaAtomBasis& atbas); 
  HaAtomBasis* Extract(const HaString & BName, 
                           const HaString & Atomlbl);

  // Axxiliary functions:
  bool Init321G();        
  bool Init321PPG();      
 
  bool InitHay1_dz();     

  bool InitHay1_dzPP();   


  bool SetFromDaltonFile(const HaString BName, const HaString & Atomlbl);
 

protected:
   map<HaAtomBasisRef,HaAtomBasis, less<HaAtomBasisRef> > bas_map;
};



#endif /* !HAATBASDB_H */

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