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src/biu/LatticeProtein_Ipnt.hh

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#ifndef LATTICEPROTEIN_PNT_HH_
#define LATTICEPROTEIN_PNT_HH_

#include "LatticeProtein_I.hh"

namespace biu
{
    
    class LatticeProtein_Ipnt : public biu::LatticeProtein_I
    {
    protected:
    
        static const double NAN_DOUBLE;
        
        enum MyBool { MyFalse, MyTrue, MyNaN };
    


        IPointVec*      points; 

        mutable double  energy;
        
        mutable MyBool selfavoiding;
        
        mutable MyBool connected;

    
    public:
    
        LatticeProtein_Ipnt(const LatticeModel* lattice, 
                        const ContactEnergyFunction* energy, 
                        const Sequence* seq,
                        const bool seqShared,
                        const std::string& moveString, 
                        const bool isAbsoluteMove);

        LatticeProtein_I* clone();
        LatticeProtein_I* fromString(const std::string& stringRep) const;
        
        // copy constructors
    
        LatticeProtein_Ipnt(const LatticeProtein& latProt); 
        LatticeProtein_Ipnt(const LatticeProtein_Ipnt& latProt); 
                        
        virtual ~LatticeProtein_Ipnt();
        
    // additional functions
    
        virtual const IPointVec* const getPointsRef() const;
        virtual IPointVec* getPointsRef(); 
        virtual void setMoveStrAbs(const std::string& moveString);

    // abstract function implementation (BackboneStructure3D)
        
        virtual DPointVec   get3Ddata() const ;
        
        virtual double      getDRMSD(const BackboneStructure3D& other) const;

    // abstract function implementation (BioMolecule)
        
        virtual Structure   getStructure() const;
        
        virtual double      getEnergy() const;
        
        virtual bool        isValid() const;
        
        virtual std::string getStringRepresentation() const;
        

    // abstract function implementation (LatticeProtein)

        virtual std::string getMoveStrAbs() const;
        
        virtual std::string getMoveStrRel() const;
        
        virtual MoveSequence getMoveSeqAbs() const;
        
        virtual MoveSequence getMoveSeqRel() const;
        
        virtual IPointVec getPoints() const;

        virtual bool    isSelfAvoiding() const;
        
        virtual bool    isConnected() const;
            
        virtual LatticeProtein_Ipnt&    operator= (const LatticeProtein_Ipnt& latProt2);        
        virtual LatticeProtein_I&   operator= (const LatticeProtein_I& latProt2);       
        virtual bool            operator== (const LatticeProtein& latProt2) const;
        virtual bool            operator!= (const LatticeProtein& latProt2) const;

    // additional functions (LatticeProtein_Ipnt)
        
    protected:
        
        virtual void updateProperties();
    
    };

}

#endif /*LATTICEPROTEIN_PNT_HH_*/