--- trunk/mdtools/headers/Molecule.hpp 2002/09/23 15:13:12 116 +++ trunk/mdtools/headers/Molecule.hpp 2002/09/24 22:10:55 117 @@ -8,38 +8,24 @@ class Molecule{ (public) public: - Molecule( int theNMembers, Atom **atomStart ); - ~Molecule(); + Molecule() {} + ~Molecule() {} int getNMembers( void ) { return nMembers; } - Atom* getMember( int index ) { return myAtoms[index]; } + int getStartAtom( void ) { return startAtom; } + int getEndAtom( void ) { return endAtom; } - void setBonds( int theNBonds, Bond** bondStart ); - int getNBonds( void ) { return nBonds; } - Bond* getBond( int index ) { return myBonds[index]; } + void setNMembers( int info ) { nMembers = info; } + void setStartAtom( int info ) { startAtom = info; } + void setEndAtom( int info ) { endAtom = info; } + - void setBends( int theNBends, Bend** bendStart ); - int getNBends( void ) { return nBends; } - Bend* getBend( int index ) { return myBends[index]; } - - void setTorsions( int theNTorsions, Torsion** torsionStart ); - int getNTorsions( void ) { return nTorsions; } - Torsion* getTorsion( int index ) { return myTorsions[index]; } - private: int nMembers; - Atom** myAtoms; + int startAtom; + int endAtom; - int nBonds; - Bond** myBonds; - - int nBends; - Bend** myBends; - - int nTorsions; - Torsion** myTorsions; - }; #endif