--- trunk/OOPSE-2.0/src/types/DirectionalAtomType.hpp	2004/10/26 22:25:19	1652
+++ trunk/OOPSE-2.0/src/types/DirectionalAtomType.hpp	2005/01/12 22:41:40	1930
@@ -1,3 +1,44 @@
+ /*
+ * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
+ *
+ * The University of Notre Dame grants you ("Licensee") a
+ * non-exclusive, royalty free, license to use, modify and
+ * redistribute this software in source and binary code form, provided
+ * that the following conditions are met:
+ *
+ * 1. Acknowledgement of the program authors must be made in any
+ *    publication of scientific results based in part on use of the
+ *    program.  An acceptable form of acknowledgement is citation of
+ *    the article in which the program was described (Matthew
+ *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
+ *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
+ *    Parallel Simulation Engine for Molecular Dynamics,"
+ *    J. Comput. Chem. 26, pp. 252-271 (2005))
+ *
+ * 2. Redistributions of source code must retain the above copyright
+ *    notice, this list of conditions and the following disclaimer.
+ *
+ * 3. Redistributions in binary form must reproduce the above copyright
+ *    notice, this list of conditions and the following disclaimer in the
+ *    documentation and/or other materials provided with the
+ *    distribution.
+ *
+ * This software is provided "AS IS," without a warranty of any
+ * kind. All express or implied conditions, representations and
+ * warranties, including any implied warranty of merchantability,
+ * fitness for a particular purpose or non-infringement, are hereby
+ * excluded.  The University of Notre Dame and its licensors shall not
+ * be liable for any damages suffered by licensee as a result of
+ * using, modifying or distributing the software or its
+ * derivatives. In no event will the University of Notre Dame or its
+ * licensors be liable for any lost revenue, profit or data, or for
+ * direct, indirect, special, consequential, incidental or punitive
+ * damages, however caused and regardless of the theory of liability,
+ * arising out of the use of or inability to use software, even if the
+ * University of Notre Dame has been advised of the possibility of
+ * such damages.
+ */
+ 
 #ifndef TYPES_DIRECTIONALATOMTYPE_HPP
 #define TYPES_DIRECTIONALATOMTYPE_HPP
 
@@ -5,34 +46,63 @@ namespace oopse {
 #include "math/SquareMatrix3.hpp"
 
 namespace oopse {
-  /**
-   * @class DirectionalAtomType 
-   *
-   * DirectionalAtomType is what OOPSE looks to for unchanging data
-   * about a directional atoms. 
-   */
-  class DirectionalAtomType : public AtomType {
-    
-  public:
-    
-    DirectionalAtomType() : AtomType() { atp.is_Directional = 1; }
 
-    Mat3x3d getI() {return I;}
-    void    setI(Mat3x3d theI) {I = theI;}
+/**
+ * @class DirectionalAtomType 
+ *
+ * DirectionalAtomType is what OOPSE looks to for unchanging data
+ * about a directional atoms. 
+ */
+class DirectionalAtomType : public AtomType {
 
-    void    setDipole() { atp.is_Dipole = 1; atp.is_Electrostatic = 1; }
+    public:
 
-    void    setGayBerne() { atp.is_GayBerne = 1; }
+        DirectionalAtomType() : AtomType() { atp.is_Directional = 1; }
 
-    void    setSticky() { atp.is_Sticky = 1; }
+        Mat3x3d getI() {return I;}
 
-    void    setShape() { atp.is_Shape = 1;}
+        void    setI(Mat3x3d theI) {I = theI;}
 
-                
-  private:
-    
-    Mat3x3d I;
-    
-  };
+        RotMat3x3d getElectroBodyFrame() {
+            return electroBodyFrame_;
+        }
+
+        void setElectroBodyFrame(const RotMat3x3d& electroBodyFrame) {
+            electroBodyFrame_ =electroBodyFrame;
+        }
+
+        void    setDipole() { atp.is_Dipole = 1; }
+
+        void setQuadrupole() { atp.is_Quadrupole = 1; }
+
+        void    setGayBerne() { atp.is_GayBerne = 1; }
+
+        void    setSticky() { atp.is_Sticky = 1; }
+
+        void    setShape() { atp.is_Shape = 1;}
+
+        virtual void complete();
+
+    private:
+
+        Mat3x3d I;
+        RotMat3x3d electroBodyFrame_;
+};
+
+
+struct StickyParam {
+double w0;
+double v0;
+double v0p;
+double rl;
+double ru;
+double rlp;
+double rup;
+};
+
+typedef SimpleTypeData<StickyParam> StickyParamGenericData;
+
+typedef SimpleTypeData<Vector3d> Vector3dGenericData;
+  
 }
 #endif