haintcrd.h

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#ifndef HAINTCRD_H
#define HAINTCRD_H

//class AtomIteratorIntCrd
//{
//public:
//      AtomIteratorIntCrd(IntCrdNode* new_ptr_icrd);
//      ~AtomIteratorIntCrd();

//      HaAtom* GetFirstAtom();
//      HaAtom* GetNextAtom();

//      AtomList mobile_atoms;
//};

#include "haatgroup.h"

class IntCrdNode
{
public:
        
        IntCrdNode( HaAtom* new_aptr1, HaAtom* new_aptr2, HaAtom* new_aptr3, HaAtom* aptr4);
    virtual ~IntCrdNode();

        HaAtom* aptr1; 
        HaAtom* aptr2; 
        HaAtom* aptr3; 
        HaAtom* aptr4; 

        double GetDihVal();                
        int SetDihVal(double new_dih_val); 

        int FindMovingAtoms();  

        AtomList moving_atoms;   
};




#endif /* !HAINTCRD_H */

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