--- branches/new_design/OOPSE-4/src/UseTheForce/ForceField.hpp	2004/11/05 21:04:13	1716
+++ branches/new_design/OOPSE-4/src/UseTheForce/ForceField.hpp	2004/11/06 05:21:55	1720
@@ -1,3 +1,36 @@
+/*
+ * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
+ * 
+ * Contact: oopse@oopse.org
+ * 
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
+ * All we ask is that proper credit is given for our work, which includes
+ * - but is not limited to - adding the above copyright notice to the beginning
+ * of your source code files, and to any copyright notice that you may distribute
+ * with programs based on this work.
+ * 
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU Lesser General Public License for more details.
+ * 
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program; if not, write to the Free Software
+ * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
+ *
+ */
+ 
+ /**
+  * @file ForceField.hpp
+  * @author tlin
+  * @date 11/04/2004
+  * @time 22:51am
+  * @version 1.0
+  */
+  
 #ifndef USETHEFORCE_FORCEFIELD_HPP
 #define USETHEFORCE_FORCEFIELD_HPP
 
@@ -9,50 +42,75 @@
 #include "utils/Tuple.hpp"
 #include "types/ShapeAtomType.hpp"
 #include "io/basic_ifstrstream.hpp"
+#include "utils/TypeContainer.hpp"
 
-using namespace std;
-using namespace oopse;
+namespace oopse {
 
+/**
+ * @class ForceFiled ForceField.hpp ''UseTheForce/ForceField.hpp"
+ * @brief
+ */
 class ForceField{
 
-public:
+    public:
 
-  ForceField(){ 
-    hasVariant=false;
-    ffPath = getenv("FORCE_PARAM_PATH");
-    if( ffPath.empty() ) {
-      STR_DEFINE(ffPath, FRC_PATH );
-    }   
-  }
+        ForceField(); 
 
-  virtual ~ForceFields(){}
+        virtual ~ForceFields(){}
 
-  void setVariant(const string &variant) { hasVariant = true; theVariant = variant; }
-  virtual void readParams( void ) = 0;  
-  
-  AtomType* getMatchingAtomType(const string &at);
-  BondType* getMatchingBondType(const string &at1, const string &at2);
-  BendType* getMatchingBendType(const string &at1, const string &at2,
-                                const string &at3);
-  TorsionType* getMatchingTorsionType(const string &at1, const string &at2,
-                                      const string &at3, const string &at4);
+        void setVariant(const std::string &variant) {
+            hasVariant_ = true; 
+            variant_ = variant; 
+        }
+        virtual void readParams() = 0;  
 
-  double getRcutForAtomType(AtomType* at);
-  
-protected:
-  
-  string ffPath;
-  ifstrstream forceFile;
-  bool hasVariant;
-  string variant;
-  map<string, AtomType*> atomTypeMap;
-  map<pair<string,string>, BondType*> bondTypeMap;
-  map<tuple3<string,string,string>, BendType*> bendTypeMap;
-  map<tuple4<string,string,string,string>, TorsionType*> torsionTypeMap;
-  string wildCardAtomTypeName;
+        AtomType* getAtomType(const std::string &at);
+        BondType* getBondType(const std::string &at1, const std::string &at2);
+        BendType* getBendType(const std::string &at1, const std::string &at2,
+                                    const std::string &at3);
+        TorsionType* getTorsionType(const std::string &at1, const std::string &at2,
+                                          const std::string &at3, const std::string &at4);
 
-};
+        double getRcutForAtomType(AtomType* at);
 
+        std::string getWildCard() {
+            return wildCardAtomTypeName_;
+        }
 
+        void setWildCard(const std::string& wildCard) {
+            wildCardAtomTypeName_ = wildCard;
+        }
+
+    protected:
+        
+        void addAtomType(const std::string &at, AtomType* atomType);
+        void addBondType(const std::string &at1, const std::string &at2, BondType* bondType);
+        void addBendType(const std::string &at1, const std::string &at2,
+                                    const std::string &at3, BendType* bendType);
+        void addTorsionType(const std::string &at1, const std::string &at2,
+                                          const std::string &at3, const std::string &at4, TorsionType* torsionType);
+
+    private:  
+        std::string ffPath_;
+        ifstrstream forceFile_;
+        bool hasVariant_;
+        std::string variant_;
+
+        std::string wildCardAtomTypeName_;
+
+        typedef TypeContainer<AtomType, 1> AtomTypeContainer;
+        typedef TypeContainer<BondType, 2> BondTypeContainer;
+        typedef TypeContainer<BendType, 3> BendTypeContainer;
+        typedef TypeContainer<TorsionType, 4> TorsionTypeContainer;
+
+        AtomTypeContainer atomTypeCont_;    
+        BondTypeContainer bondTypeCont_;
+        BendTypeContainer bendTypeCont_;
+        TorsionTypeContainer torsionTypeCont_;
+};
+
+ typedef GenericFactory<ForceField> ForceFieldFactory;
+ 
+}//end namespace oopse
 #endif