src/visitors/AtomData.hpp

#ifndef VISITOR_ATOMDATA_HPP
#define VISITOR_ATOMDATA_HPP
#include "utils/GenericData.hpp"

using namespace std;

namespace oopse {

struct AtomInfo {
  public:
    string AtomType;
    double pos[3];
    double dipole[3];  
};

class AtomData : public GenericData{
  public:
    AtomData(const string& id = "ATOMDATA") : GenericData(id) {}
    ~AtomData() {
        vector<AtomInfo*>::iterator i;
        AtomInfo* atomInfo;

        for(atomInfo = beginAtomInfo(i); atomInfo; atomInfo  = nextAtomInfo(i))
            delete atomInfo;

        data.clear();
    }
    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 //VISITOR_ATOMDATA_HPP
Revision:	1683
Committed:	Thu Oct 28 22:34:02 2004 UTC (19 years, 8 months ago)
File size:	1069 byte(s)
Log Message:	This commit was manufactured by cvs2svn to create branch 'new_design'.
#	Content
1	#ifndef VISITOR_ATOMDATA_HPP
2	#define VISITOR_ATOMDATA_HPP
3	#include "utils/GenericData.hpp"
4
5	using namespace std;
6
7	namespace oopse {
8
9	struct AtomInfo {
10	public:
11	string AtomType;
12	double pos[3];
13	double dipole[3];
14	};
15
16	class AtomData : public GenericData{
17	public:
18	AtomData(const string& id = "ATOMDATA") : GenericData(id) {}
19	~AtomData() {
20	vector<AtomInfo*>::iterator i;
21	AtomInfo* atomInfo;
22
23	for(atomInfo = beginAtomInfo(i); atomInfo; atomInfo = nextAtomInfo(i))
24	delete atomInfo;
25
26	data.clear();
27	}
28	void addAtomInfo(AtomInfo* info) {data.push_back(info);}
29	void clearAllAtomInfo();
30	AtomInfo* beginAtomInfo(vector<AtomInfo*>::iterator& i){
31	i = data.begin();
32	return i != data.end()? *i : NULL;
33	}
34	AtomInfo* nextAtomInfo(vector<AtomInfo*>::iterator& i){
35	++i;
36	return i != data.end()? *i: NULL;
37	}
38	vector<AtomInfo*> getData() {return data;}
39	int getSize() {return data.size();}
40	protected:
41	vector<AtomInfo*> data;
42	};
43
44
45	}
46	#endif //VISITOR_ATOMDATA_HPP