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root/group/trunk/OOPSE/libmdtools/GenericData.hpp
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Comparing trunk/OOPSE/libmdtools/GenericData.hpp (file contents):
Revision 658 by tim, Thu Jul 31 15:35:07 2003 UTC vs.
Revision 1234 by tim, Fri Jun 4 03:15:31 2004 UTC

# Line 1 | Line 1
1   #ifndef __GENERICDATA_H__
2   #define __GENERICDATA_H__
3  
4 + #include <algorithm>
5   #include <string>
6   #include <vector>
7  
8 < using namespace std;
8 > #define ZCONSTIME_ID            "ZCONSTIME"
9 > #define ZCONSPARADATA_ID    "ZCONSPARA"
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 + //Declaration of GenericData
24 + ////////////////////////////////////////////////////////////////////////////////
25   class GenericData
26   {
27    public:
# Line 13 | Line 29 | class GenericData
29      GenericData(const GenericData& rhs)  {  id = rhs.getID(); }
30      GenericData& operator =(const GenericData& rhs);
31      virtual ~GenericData() {}
32 <    
32 >
33      const string& getID() const {  return id; }
34 <    void setID(string rhs)     {  id = rhs;  }
35 <    
34 >    void setID(const string& rhs)     {  id = rhs;  }
35 >
36    protected:
37      string id;
38   };
39  
40 < /** Something we can improve it here is to use template
41 < **
40 > /**
41 > * Something we can improve it here is to use template
42   */
43 < class IndexData : public GenericData
44 < {
43 > ////////////////////////////////////////////////////////////////////////////////
44 > //Declaration of IntData
45 > ////////////////////////////////////////////////////////////////////////////////
46 > class IntData : public GenericData{
47 >
48    public:
49 <    IndexData();
50 <    IndexData(const IndexData& rhs);
51 <    IndexData& operator = (const IndexData& rhs);
52 <    
34 <    const vector<int>& getIndexData() const   {  return indexData; }
35 <    void setIndexData(const vector<int>& rhs) {  indexData = rhs;  }
49 >
50 >    double getData()         { return data; }
51 >    void setData(int rhs) { data = rhs;  }
52 >
53    protected:
54 <    vector<int> indexData;  
54 >    int data;
55   };
56  
57 + ////////////////////////////////////////////////////////////////////////////////
58 + //Declaration of DoubleData
59 + ////////////////////////////////////////////////////////////////////////////////
60   class DoubleData : public GenericData{
61  
62    public:
63  
64      double getData()         { return data; }
65      void setData(double rhs) { data = rhs;  }
66 <            
66 >
67    protected:
68      double data;
69   };
70  
71 + ////////////////////////////////////////////////////////////////////////////////
72 + //Declaration of StringData
73 + ////////////////////////////////////////////////////////////////////////////////
74   class StringData : public GenericData{
75 <
76 <  public:  
75 >
76 >  public:
77      const string& getData() const  {  return data; }
78      void setData(const string& rhs) {  data = rhs;  }
79    protected:
80 <    string data;
80 >    string data;
81   };
82 +
83 + ////////////////////////////////////////////////////////////////////////////////
84 + //Declaration of BoolData
85 + ////////////////////////////////////////////////////////////////////////////////
86 + class BoolData : public GenericData{
87 +  public:
88 +    bool getData() const  {  return data; }
89 +    void setData(const bool rhs) {  data = rhs;  }
90 +  protected:
91 +    bool data;
92 +
93 + };
94 +
95 + ////////////////////////////////////////////////////////////////////////////////
96 + //Declaration of ZConsParaData
97 + ////////////////////////////////////////////////////////////////////////////////
98 + struct ZConsParaItem {
99 +  int zconsIndex;
100 +  bool havingZPos;
101 +  double zPos;
102 +  double kRatio;
103 +  bool havingCantVel;
104 +  double cantVel;
105 + };
106 +
107 + class ZConsParaData : public GenericData{
108 +
109 +  public:
110 +    ZConsParaData();
111 +    void addItem(ZConsParaItem& item) {data.push_back(item);}
112 +    vector<ZConsParaItem>* getData() {return &data;}
113 +    void setData(vector<ZConsParaItem>& theData) {data = theData;}
114 +    void sortByIndex();
115 +    bool isIndexUnique();
116 +
117 +  private:
118 +    vector<ZConsParaItem> data;
119 +  };
120 +
121 + class ZConsParaSortCriterion{
122 +  public:
123 +    bool operator ()(const ZConsParaItem& item1, const ZConsParaItem& item2){
124 +      return item1.zconsIndex < item2.zconsIndex;
125 +    }
126 +
127 + };
128 +
129 + ////////////////////////////////////////////////////////////////////////////////
130 + //Declaration of IntData
131 + ////////////////////////////////////////////////////////////////////////////////
132 + class DoubleArrayData : public GenericData{
133 +
134 + public:
135 +   vector<double> getData() const  {  return data; }
136 +   void setData(double* source, int num){
137 +    data.clear();
138 +    for(int i = 0; i < num; i++)
139 +     data.push_back(source[i]);
140 +   }
141 + protected:
142 +   vector<double> data;
143 + };
144 +
145 + ////////////////////////////////////////////////////////////////////////////////
146 + //Declaration of AtomData
147 + ////////////////////////////////////////////////////////////////////////////////
148 + struct AtomInfo : public GenericData{
149 +  public:
150 +    string AtomType;
151 +    double pos[3];
152 +    double dipole[3];  
153 + };
154 +
155 + class AtomData : public GenericData{
156 +  public:
157 +    ~AtomData();
158 +    void addAtomInfo(AtomInfo* info) {data.push_back(info);}
159 +    void clearAllAtomInfo();
160 +    AtomInfo* beginAtomInfo(vector<AtomInfo*>::iterator& i){
161 +      i = data.begin();
162 +      return i != data.end()? *i : NULL;
163 +    }
164 +    AtomInfo* nextAtomInfo(vector<AtomInfo*>::iterator& i){
165 +      ++i;
166 +      return i != data.end()? *i: NULL;
167 +    }
168 +    vector<AtomInfo*> getData() {return data;}
169 +    int getSize() {return data.size();}
170 +  protected:
171 +    vector<AtomInfo*> data;
172 + };
173 +
174   #endif

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