--- trunk/OOPSE/libmdtools/Atom.hpp 2003/08/07 21:47:18 670 +++ trunk/OOPSE/libmdtools/Atom.hpp 2003/08/12 19:56:49 689 @@ -13,7 +13,7 @@ class Atom{ (public) Atom(int theIndex, SimState* theConfig ); virtual ~Atom() {} - void setCoords(void); + virtual void setCoords(void); // void addAtoms(int nAdded, double* Apos, double* Avel, double* Afrc, // double* Atrq, double* AAmat, double* Amu, @@ -143,9 +143,12 @@ class DirectionalAtom : public Atom { (public) sux = 0.0; suy = 0.0; suz = 0.0; + myMu = 0.0; } virtual ~DirectionalAtom() {} + virtual void setCoords(void); + void printAmatIndex( void ); int isDirectional(void) { return 1; } @@ -218,6 +221,8 @@ class DirectionalAtom : public Atom { (public) private: int dIndex; + double myMu; + double sux, suy, suz; // the standard unit vector ( body fixed ) double jx, jy, jz; // the angular momentum vector ( body fixed )