--- trunk/OOPSE/libmdtools/DirectionalAtom.cpp	2004/04/12 20:32:20	1097
+++ trunk/OOPSE/libmdtools/DirectionalAtom.cpp	2004/08/23 15:11:36	1452
@@ -35,7 +35,8 @@ void DirectionalAtom::setCoords(void){
 		     &trq, 
 		     &Amat,
 		     &mu,  
-		     &ul );
+		     &ul,
+		     &quat);
   }
   else{
     sprintf( painCave.errMsg,
@@ -431,6 +432,23 @@ void DirectionalAtom::getTrq( double theT[3] ){
     
     sprintf( painCave.errMsg,
 	     "Attempt to get Trq for atom %d before coords set.\n",
+	     index );
+    painCave.isFatal = 1;
+    simError();
+  }
+}
+
+void DirectionalAtom::setTrq( double theT[3] ){
+  
+  if( hasCoords ){
+    trq[offsetX] = theT[0];
+    trq[offsetY] = theT[1];
+    trq[offsetZ] = theT[2];
+  }
+  else{
+    
+    sprintf( painCave.errMsg,
+	     "Attempt to add Trq for atom %d before coords set.\n",
 	     index );
     painCave.isFatal = 1;
     simError();
@@ -539,11 +557,7 @@ void DirectionalAtom::getEulerAngles(double myEuler[3]
   
   
   double phi,theta,psi,eps;
-  double pi;
-  double cphi,ctheta,cpsi;
-  double sphi,stheta,spsi;
-  double b[3];
-  int flip[3];
+  double ctheta,stheta;
 
   // set the tolerance for Euler angles and rotation elements
   
@@ -583,8 +597,54 @@ void DirectionalAtom::getEulerAngles(double myEuler[3]
   myEuler[2] = psi;
   
   return;
+}
+
+double DirectionalAtom::getZangle( ){
+  
+  if( hasCoords ){
+    return zAngle;
+  }
+  else{
+    
+    sprintf( painCave.errMsg,
+	     "Attempt to get zAngle for atom %d before coords set.\n",
+	     index );
+    painCave.isFatal = 1;
+    simError();
+    return 0;
+  }
 }
 
+void DirectionalAtom::setZangle( double zAng ){
+  
+  if( hasCoords ){
+    zAngle = zAng;
+  }
+  else{
+    
+    sprintf( painCave.errMsg,
+	     "Attempt to set zAngle for atom %d before coords set.\n",
+	     index );
+    painCave.isFatal = 1;
+    simError();
+  }
+}
+
+void DirectionalAtom::addZangle( double zAng ){
+  
+  if( hasCoords ){
+    zAngle += zAng;
+  }
+  else{
+    
+    sprintf( painCave.errMsg,
+	     "Attempt to add zAngle to atom %d before coords set.\n",
+	     index );
+    painCave.isFatal = 1;
+    simError();
+  }
+}
+
 double DirectionalAtom::max(double x, double  y) {  
   return (x > y) ? x : y;
 }