OOPSE/libmdtools/GenericData.hpp

#ifndef __GENERICDATA_H__
#define __GENERICDATA_H__

#include <algorithm>
#include <string>
#include <vector>

#define ZCONSTIME_ID            "ZCONSTIME"
#define ZCONSPARADATA_ID    "ZCONSPARA"
#define ZCONSFILENAME_ID     "ZCONSFILENAME"
#define ZCONSTOL_ID              "ZCONSTOL"

using namespace std;

class GenericData
{
  public:
    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;  } 
    
  protected:
    string id;
};

/** Something we can improve it here is to use template
 ** 
 */
class DoubleData : public GenericData{

  public:

    double getData()         { return data; }
    void setData(double rhs) { data = rhs;  }
            
  protected:
    double data;
};

class StringData : public GenericData{
 
  public:  
    const string& getData() const  {  return data; }
    void setData(const string& rhs) {  data = rhs;  }
  protected:
    string data; 
};

struct ZConsParaItem 
{
  int zconsIndex;
  bool havingZPos;
  double zPos;
  double kRatio;
};

class ZConsParaData : public GenericData{
        
  public:       
    ZConsParaData();
    void addItem(ZConsParaItem& item) {data.push_back(item);}
    vector<ZConsParaItem>* getData() {return &data;}
    void setData(vector<ZConsParaItem>& theData) {data = theData;}
    void sortByIndex();
        
  private:      
    vector<ZConsParaItem> data;
  };

class ZConsParaSortCriterion{
  public:
    bool operator ()(const ZConsParaItem& item1, const ZConsParaItem& item2){
      return item1.zconsIndex < item2.zconsIndex;
    }

};

#endif
Revision:	682
Committed:	Tue Aug 12 17:51:33 2003 UTC (22 years, 2 months ago) by tim
Original Path:	*trunk/OOPSE/libmdtools/GenericData.hpp*
File size:	1716 byte(s)
Log Message:	added harmonical potential to z-constraint method
#	Content
1	#ifndef __GENERICDATA_H__
2	#define __GENERICDATA_H__
3
4	#include <algorithm>
5	#include <string>
6	#include <vector>
7
8	#define ZCONSTIME_ID "ZCONSTIME"
9	#define ZCONSPARADATA_ID "ZCONSPARA"
10	#define ZCONSFILENAME_ID "ZCONSFILENAME"
11	#define ZCONSTOL_ID "ZCONSTOL"
12
13	using namespace std;
14
15	class GenericData
16	{
17	public:
18	GenericData();
19	GenericData(const GenericData& rhs) { id = rhs.getID(); }
20	GenericData& operator =(const GenericData& rhs);
21	virtual ~GenericData() {}
22
23	const string& getID() const { return id; }
24	void setID(string rhs) { id = rhs; }
25
26	protected:
27	string id;
28	};
29
30	/** Something we can improve it here is to use template
31	**
32	*/
33	class DoubleData : public GenericData{
34
35	public:
36
37	double getData() { return data; }
38	void setData(double rhs) { data = rhs; }
39
40	protected:
41	double data;
42	};
43
44	class StringData : public GenericData{
45
46	public:
47	const string& getData() const { return data; }
48	void setData(const string& rhs) { data = rhs; }
49	protected:
50	string data;
51	};
52
53	struct ZConsParaItem
54	{
55	int zconsIndex;
56	bool havingZPos;
57	double zPos;
58	double kRatio;
59	};
60
61	class ZConsParaData : public GenericData{
62
63	public:
64	ZConsParaData();
65	void addItem(ZConsParaItem& item) {data.push_back(item);}
66	vector<ZConsParaItem>* getData() {return &data;}
67	void setData(vector<ZConsParaItem>& theData) {data = theData;}
68	void sortByIndex();
69
70	private:
71	vector<ZConsParaItem> data;
72	};
73
74	class ZConsParaSortCriterion{
75	public:
76	bool operator ()(const ZConsParaItem& item1, const ZConsParaItem& item2){
77	return item1.zconsIndex < item2.zconsIndex;
78	}
79
80	};
81
82	#endif