--- branches/mmeineke/OOPSE/libmdtools/DirectionalAtom.cpp	2003/03/21 17:42:12	377
+++ trunk/OOPSE/libmdtools/DirectionalAtom.cpp	2003/07/14 21:48:43	599
@@ -2,14 +2,8 @@
 
 #include "Atom.hpp"
 
-double* Atom::pos; // the position array
-double* Atom::vel; // the velocity array
-double* Atom::frc; // the forc array
-double* Atom::trq; // the torque vector  ( space fixed )
-double* Atom::Amat; // the rotation matrix
-double* Atom::mu;   // the array of dipole moments
-double* Atom::ul;   // the lab frame unit directional vector
 
+
 void DirectionalAtom::setA( double the_A[3][3] ){
   
   Amat[Axx] = the_A[0][0]; Amat[Axy] = the_A[0][1]; Amat[Axz] = the_A[0][2];
@@ -66,7 +60,15 @@ void DirectionalAtom::getA( double the_A[3][3] ){
   the_A[2][2] = Amat[Azz];
 }
 
+void DirectionalAtom::printAmatIndex( void ){
 
+  std::cerr << "Atom[" << index << "] index =>\n" 
+	    << "[ " << Axx << ", " << Axy << ", " << Axz << " ]\n"
+	    << "[ " << Ayx << ", " << Ayy << ", " << Ayz << " ]\n"
+	    << "[ " << Azx << ", " << Azy << ", " << Azz << " ]\n";
+}
+
+
 void DirectionalAtom::getU( double the_u[3] ){
   
   the_u[0] = sux;
@@ -175,3 +177,46 @@ void DirectionalAtom::updateU( void ){
   ul[offsetZ] = (Amat[Axz] * sux) + (Amat[Ayz] * suy) + (Amat[Azz] * suz);
 }
 
+void DirectionalAtom::getJ( double theJ[3] ){
+  
+  theJ[0] = jx;
+  theJ[1] = jy;
+  theJ[2] = jz;
+}
+
+void DirectionalAtom::setJ( double theJ[3] ){
+  
+  jx = theJ[0];
+  jy = theJ[1];
+  jz = theJ[2];
+}
+
+void DirectionalAtom::getTrq( double theT[3] ){
+  
+  theT[0] = trq[offsetX];
+  theT[1] = trq[offsetY];
+  theT[2] = trq[offsetZ];
+}
+
+void DirectionalAtom::addTrq( double theT[3] ){
+  
+  trq[offsetX] += theT[0];
+  trq[offsetY] += theT[1];
+  trq[offsetZ] += theT[2];
+}
+
+
+void DirectionalAtom::getI( double the_I[3][3] ){
+  
+  the_I[0][0] = Ixx;
+  the_I[0][1] = Ixy;
+  the_I[0][2] = Ixz;
+
+  the_I[1][0] = Iyx;
+  the_I[1][1] = Iyy;
+  the_I[1][2] = Iyz;
+
+  the_I[2][0] = Izx;
+  the_I[2][1] = Izy;
+  the_I[2][2] = Izz;
+}