--- trunk/mdtools/headers/Atom.hpp	2002/12/16 21:42:11	213
+++ trunk/mdtools/headers/Atom.hpp	2003/01/30 15:20:21	253
@@ -31,11 +31,17 @@ class Atom{ (public)
     delete[] frc;
     delete[] trq;
   }
+
+  static double* getPosArray( void ) { return pos; }
+  static double* getVelArray( void ) { return vel; }
+  static double* getFrcArray( void ) { return frc; }
+  static double* getTrqArray( void ) { return trq; }
   
+  
   double getX() const {return pos[offsetX];}
   double getY() const {return pos[offsetY];}
   double getZ() const {return pos[offsetZ];}
-  void setX(double x) {pos[offsetX]   = x;}
+  void setX(double x) {pos[offsetX] = x;}
   void setY(double y) {pos[offsetY] = y;}
   void setZ(double z) {pos[offsetZ] = z;}
   
@@ -77,7 +83,15 @@ class Atom{ (public)
 
   char *getType() {return c_name;}
   void setType(char * name) {strcpy(c_name,name);}
+  
+  int getIdent( void ) { return ident; }
+  void setIdent( int info ) { ident = info; }
 
+#ifdef IS_MPI
+  int getGlobalIndex( void ) { return myGlobalIndex; }
+  void setGlobalIndex( int info ) { myGlobalIndex = info; }
+#endif // is_mpi
+
   void set_n_hydrogens( int n_h ) {c_n_hyd = n_h;}
   int get_n_hydrogens() const {return c_n_hyd;}
 
@@ -109,12 +123,17 @@ class Atom{ (public)
   int offsetX, offsetY, offsetZ;
 
   char c_name[100]; /* it's name */
+  int ident;  // it's unique numeric identity.
 
   int c_n_hyd; // the number of hydrogens bonded to the atom 
   
   int has_dipole; // dipole boolean
   int is_VDW;    // VDW boolean
   int is_LJ;    // LJ boolean
+
+#ifdef IS_MPI
+  int myGlobalIndex;
+#endif
   
 };