--- trunk/OOPSE/libmdtools/GenericData.hpp	2003/08/28 21:09:47	736
+++ trunk/OOPSE/libmdtools/GenericData.hpp	2004/04/20 05:39:38	1126
@@ -10,7 +10,14 @@
 #define ZCONSFILENAME_ID     "ZCONSFILENAME"
 #define ZCONSTOL_ID              "ZCONSTOL"
 #define ZCONSFORCEPOLICY_ID "ZCONSFORCEPOLICY"
+#define ZCONSGAP_ID "ZCONSGAP"
+#define ZCONSFIXTIME_ID "ZCONSFIXTIME"
+#define ZCONSUSINGSMD_ID "ZCONSUSINGSMD"
 
+#define CHIVALUE_ID "CHIVALUE"
+#define INTEGRALOFCHIDT_ID "INTEGRALOFCHIDT"
+#define ETAVALUE_ID "ETAVALUE"
+
 using namespace std;
 
 class GenericData
@@ -20,56 +27,69 @@ class GenericData
     GenericData(const GenericData& rhs)  {  id = rhs.getID(); }
     GenericData& operator =(const GenericData& rhs);
     virtual ~GenericData() {}
-    
+
     const string& getID() const {  return id; }
-    void setID(string rhs)     {  id = rhs;  } 
-    
+    void setID(string rhs)     {  id = rhs;  }
+
   protected:
     string id;
 };
 
 /** Something we can improve it here is to use template
- ** 
+ **
  */
+
+class IntData : public GenericData{
+
+  public:
+
+    double getData()         { return data; }
+    void setData(int rhs) { data = rhs;  }
+
+  protected:
+    int data;
+};
+
 class DoubleData : public GenericData{
 
   public:
 
     double getData()         { return data; }
     void setData(double rhs) { data = rhs;  }
-            
+
   protected:
     double data;
 };
 
 class StringData : public GenericData{
- 
-  public:  
+
+  public:
     const string& getData() const  {  return data; }
     void setData(const string& rhs) {  data = rhs;  }
   protected:
-    string data; 
+    string data;
 };
 
-struct ZConsParaItem 
-{
+struct ZConsParaItem {
   int zconsIndex;
   bool havingZPos;
   double zPos;
   double kRatio;
+  bool havingCantVel;
+  double cantVel;
 };
 
 class ZConsParaData : public GenericData{
-	
-  public:  	
+
+  public:
     ZConsParaData();
     void addItem(ZConsParaItem& item) {data.push_back(item);}
     vector<ZConsParaItem>* getData() {return &data;}
     void setData(vector<ZConsParaItem>& theData) {data = theData;}
     void sortByIndex();
     bool isIndexUnique();
-    	
-  private:  	
+
+  private:
     vector<ZConsParaItem> data;
   };
 
@@ -81,4 +101,45 @@ class ZConsParaSortCriterion{
 
 };
 
+class DoubleArrayData : public GenericData{
+
+ public:
+   vector<double> getData() const  {  return data; }
+   void setData(double* source, int num){
+    data.clear();
+    for(int i = 0; i < num; i++)
+     data.push_back(source[i]);
+   }
+ protected:
+   vector<double> data;
+};
+
+struct AtomInfo : public GenericData{
+  public:
+    string AtomType;
+    double pos[3];
+    double dipole[3];  
+};
+
+class AtomData : public GenericData{
+  public:
+    ~AtomData();
+    void addAtomInfo(AtomInfo* info) {data.push_back(info);}
+    void clearAllAtomInfo();
+    AtomInfo* beginAtomInfo(vector<AtomInfo*>::iterator& i){
+      i = data.begin();
+      return i != data.end()? *i : NULL;
+    }
+    AtomInfo* nextAtomInfo(vector<AtomInfo*>::iterator& i){
+      ++i;
+      return i != data.end()? *i: NULL;
+    }
+    vector<AtomInfo*> getData() {return data;}
+    int getSize() {return data.size();}
+  protected:
+    vector<AtomInfo*> data;
+};
+
+
+
 #endif