--- trunk/mdtools/headers/Atom.hpp 2002/07/16 21:10:49 30 +++ trunk/mdtools/headers/Atom.hpp 2002/10/11 15:09:09 134 @@ -12,7 +12,7 @@ class Atom{ (public) is_VDW = 0; is_LJ = 0; } - ~Atom() {} + virtual ~Atom() {} double getX() const {return c_x;} double getY() const {return c_y;} @@ -58,13 +58,13 @@ class Atom{ (public) int get_n_hydrogens() const {return c_n_hyd;} void setHasDipole( int value ) { has_dipole = value; } - short int hasDipole( void ) { return has_dipole; } + int hasDipole( void ) { return has_dipole; } void setLJ( void ) { is_LJ = 1; is_VDW = 0; } - short int isLJ( void ) { return is_LJ; } + int isLJ( void ) { return is_LJ; } void seVDW( void ) { is_VDW = 1; is_LJ = 0; } - short int isVDW( void ) { return is_VDW; } + int isVDW( void ) { return is_VDW; } virtual int isDirectional( void ) = 0; @@ -92,9 +92,9 @@ class Atom{ (public) int c_n_hyd; // the number of hydrogens bonded to the atom - short int has_dipole; // dipole boolean - short int is_VDW; // VDW boolean - short int is_LJ; // LJ boolean + int has_dipole; // dipole boolean + int is_VDW; // VDW boolean + int is_LJ; // LJ boolean }; @@ -102,7 +102,7 @@ class GeneralAtom : public Atom{ (public) public: GeneralAtom(){} - ~GeneralAtom(){} + virtual ~GeneralAtom(){} int isDirectional( void ){ return 0; } void zeroForces() { @@ -114,7 +114,7 @@ class DirectionalAtom : public Atom { (public) public: DirectionalAtom() { ssdIdentity = 0; } - ~DirectionalAtom() {} + virtual ~DirectionalAtom() {} int isDirectional(void) { return 1; } @@ -196,7 +196,7 @@ class DirectionalAtom : public Atom { (public) private: - double Axx, Axy, Axz;; // the rotational matrix + double Axx, Axy, Axz; // the rotational matrix double Ayx, Ayy, Ayz; double Azx, Azy, Azz;