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root/group/trunk/OOPSE/libmdtools/GenericData.hpp
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Comparing trunk/OOPSE/libmdtools/GenericData.hpp (file contents):
Revision 736 by tim, Thu Aug 28 21:09:47 2003 UTC vs.
Revision 1126 by tim, Tue Apr 20 05:39:38 2004 UTC

# Line 10 | Line 10
10   #define ZCONSFILENAME_ID     "ZCONSFILENAME"
11   #define ZCONSTOL_ID              "ZCONSTOL"
12   #define ZCONSFORCEPOLICY_ID "ZCONSFORCEPOLICY"
13 + #define ZCONSGAP_ID "ZCONSGAP"
14 + #define ZCONSFIXTIME_ID "ZCONSFIXTIME"
15 + #define ZCONSUSINGSMD_ID "ZCONSUSINGSMD"
16  
17 + #define CHIVALUE_ID "CHIVALUE"
18 + #define INTEGRALOFCHIDT_ID "INTEGRALOFCHIDT"
19 + #define ETAVALUE_ID "ETAVALUE"
20 +
21   using namespace std;
22  
23   class GenericData
# Line 20 | Line 27 | class GenericData
27      GenericData(const GenericData& rhs)  {  id = rhs.getID(); }
28      GenericData& operator =(const GenericData& rhs);
29      virtual ~GenericData() {}
30 <    
30 >
31      const string& getID() const {  return id; }
32 <    void setID(string rhs)     {  id = rhs;  }
33 <    
32 >    void setID(string rhs)     {  id = rhs;  }
33 >
34    protected:
35      string id;
36   };
37  
38   /** Something we can improve it here is to use template
39 < **
39 > **
40   */
41 +
42 + class IntData : public GenericData{
43 +
44 +  public:
45 +
46 +    double getData()         { return data; }
47 +    void setData(int rhs) { data = rhs;  }
48 +
49 +  protected:
50 +    int data;
51 + };
52 +
53   class DoubleData : public GenericData{
54  
55    public:
56  
57      double getData()         { return data; }
58      void setData(double rhs) { data = rhs;  }
59 <            
59 >
60    protected:
61      double data;
62   };
63  
64   class StringData : public GenericData{
65 <
66 <  public:  
65 >
66 >  public:
67      const string& getData() const  {  return data; }
68      void setData(const string& rhs) {  data = rhs;  }
69    protected:
70 <    string data;
70 >    string data;
71   };
72  
73 < struct ZConsParaItem
55 < {
73 > struct ZConsParaItem {
74    int zconsIndex;
75    bool havingZPos;
76    double zPos;
77    double kRatio;
78 +  bool havingCantVel;
79 +  double cantVel;
80   };
81  
82   class ZConsParaData : public GenericData{
83 <        
84 <  public:      
83 >
84 >  public:
85      ZConsParaData();
86      void addItem(ZConsParaItem& item) {data.push_back(item);}
87      vector<ZConsParaItem>* getData() {return &data;}
88      void setData(vector<ZConsParaItem>& theData) {data = theData;}
89      void sortByIndex();
90      bool isIndexUnique();
91 <        
92 <  private:      
91 >
92 >  private:
93      vector<ZConsParaItem> data;
94    };
95  
# Line 81 | Line 101 | class ZConsParaSortCriterion{
101  
102   };
103  
104 + class DoubleArrayData : public GenericData{
105 +
106 + public:
107 +   vector<double> getData() const  {  return data; }
108 +   void setData(double* source, int num){
109 +    data.clear();
110 +    for(int i = 0; i < num; i++)
111 +     data.push_back(source[i]);
112 +   }
113 + protected:
114 +   vector<double> data;
115 + };
116 +
117 + struct AtomInfo : public GenericData{
118 +  public:
119 +    string AtomType;
120 +    double pos[3];
121 +    double dipole[3];  
122 + };
123 +
124 + class AtomData : public GenericData{
125 +  public:
126 +    ~AtomData();
127 +    void addAtomInfo(AtomInfo* info) {data.push_back(info);}
128 +    void clearAllAtomInfo();
129 +    AtomInfo* beginAtomInfo(vector<AtomInfo*>::iterator& i){
130 +      i = data.begin();
131 +      return i != data.end()? *i : NULL;
132 +    }
133 +    AtomInfo* nextAtomInfo(vector<AtomInfo*>::iterator& i){
134 +      ++i;
135 +      return i != data.end()? *i: NULL;
136 +    }
137 +    vector<AtomInfo*> getData() {return data;}
138 +    int getSize() {return data.size();}
139 +  protected:
140 +    vector<AtomInfo*> data;
141 + };
142 +
143 +
144 +
145   #endif

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