--- trunk/mdtools/headers/Molecule.hpp 2002/07/09 18:40:59 11 +++ trunk/mdtools/headers/Molecule.hpp 2002/09/24 22:10:55 117 @@ -8,42 +8,24 @@ class Molecule{ (public) public: - Molecule( int start_index, int n_members, Atom *atoms ); - ~Molecule(); + Molecule() {} + ~Molecule() {} - int get_n_members( void ); - Atom* get_member( int index ); + int getNMembers( void ) { return nMembers; } + int getStartAtom( void ) { return startAtom; } + int getEndAtom( void ) { return endAtom; } - void set_n_bonds( int n_bonds ); - int get_n_bonds( void ); - void set_bond( Bond* the_bond, int index ); - Bond* get_bond( int index ); + void setNMembers( int info ) { nMembers = info; } + void setStartAtom( int info ) { startAtom = info; } + void setEndAtom( int info ) { endAtom = info; } + - void set_n_bends( int n_bends ); - int get_n_bends( void ); - void set_bend( Bend* the_bend, int index ); - Bend* get_bend( int index ); - - void set_n_torsions( int n_torsions ); - int get_n_torsions( void ); - void set_torsion( Torsion* the_torsion, int index ); - Torsion* get_torsion( int index ); - private: - int c_start_index; - int c_n_members; - Atom* my_atoms; + int nMembers; + int startAtom; + int endAtom; - int c_n_bonds; - Bond* my_bonds; - - int c_n_bends; - Bend* my_bends; - - int c_n_torsions; - Torsion* my_torsions; - }; #endif