--- trunk/src/primitives/DirectionalAtom.cpp	2009/11/25 20:02:06	1390
+++ trunk/src/primitives/DirectionalAtom.cpp	2012/08/22 02:28:28	1782
@@ -36,20 +36,28 @@
  * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
  * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
  * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
- * [4]  Vardeman & Gezelter, in progress (2009).                        
+ * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
  
 #include "primitives/DirectionalAtom.hpp"
+#include "types/DirectionalAdapter.hpp"
+#include "types/MultipoleAdapter.hpp"
 #include "utils/simError.h"
 namespace OpenMD {
   
-  DirectionalAtom::DirectionalAtom(DirectionalAtomType* dAtomType) 
-    : Atom(dAtomType){
+  DirectionalAtom::DirectionalAtom(AtomType* dAtomType) 
+    : Atom(dAtomType) {
     objType_= otDAtom;
-    if (dAtomType->isMultipole()) {
-      electroBodyFrame_ = dAtomType->getElectroBodyFrame();
+
+    DirectionalAdapter da = DirectionalAdapter(dAtomType);
+    I_ = da.getI();
+
+    MultipoleAdapter ma = MultipoleAdapter(dAtomType);
+    if (ma.isMultipole()) {
+      electroBodyFrame_ = ma.getElectroBodyFrame();
     }
-    
+
     // Check if one of the diagonal inertia tensor of this directional
     // atom is zero:
     int nLinearAxis = 0;
@@ -73,7 +81,7 @@ namespace OpenMD {
   }
   
   Mat3x3d DirectionalAtom::getI() {
-    return static_cast<DirectionalAtomType*>(getAtomType())->getI();
+    return I_;     
   }    
   
   void DirectionalAtom::setPrevA(const RotMat3x3d& a) {
@@ -134,10 +142,14 @@ namespace OpenMD {
     ephi[1] = 0.0;
     ephi[2] = 1.0;
     
-    etheta[0] = -sphi;
-    etheta[1] =  cphi;
-    etheta[2] =  0.0;
+    //etheta[0] = -sphi;
+    //etheta[1] =  cphi;
+    //etheta[2] =  0.0;
     
+    etheta[0] = cphi;
+    etheta[1] = sphi;
+    etheta[2] = 0.0;
+    
     epsi[0] = stheta * cphi;
     epsi[1] = stheta * sphi;
     epsi[2] = ctheta;