src/brains/Exclude.hpp

#ifndef __EXCLUDE_H__

#define __EXCLUDE_H__

#include <iostream>
#include <set>
#include <utility>
#include <vector>

namespace oopse {

    /**
     * @class Exclude Exclude.hpp "brains/Exclude.hpp"
     * @brief Exclude class maintains the exclusion list of the simulation by the global indices of the 
     * atoms. The exclusion list will be passed to fortran in a plain array.
     */
    class Exclude {
        public:

            Exclude() : modified_(false) {}


            /** Adds a pair into this Exclude class */
            void addPair(int i, int j);

            /** Remove a pair from Exclude class */
            void removePair(int i, int j);

            /** Checks whether pair (i, j) is in this Exclude class */
            bool hasPair(int i, int j) {
                return findPair(i, j) != excludeSet_.end();
            }

            /** Returns the number of exclusion pair */
            int getSize();

            /** Returns the size of exclusion list */
            int getSizeOfExcludeList();

            /** Returns the exclusion pairs in a plain array*/
            int *getExcludeList();

            /** write out the exclusion list to an ostream */
            friend std::ostream& operator <<(std::ostream& o, Exclude& e);

        private:

            std::set<std::pair<int, int> >::iterator findPair(int i, int j);

            std::set < std::pair<int, int> > excludeSet_;
            std::vector < std::pair<int, int> > excludeList_;
            bool modified_;
    };

}      //end namespace oopse

#endif // __EXCLUDE_H__
Revision:	1804
Committed:	Tue Nov 30 19:58:25 2004 UTC (20 years, 11 months ago) by tim
File size:	1575 byte(s)
Log Message:	fix Thermo
#	User	Rev	Content
1	gezelter	1490	#ifndef __EXCLUDE_H__
2	tim	1727
3	gezelter	1490	#define __EXCLUDE_H__
4
5	tim	1804	#include <iostream>
6	gezelter	1490	#include <set>
7			#include <utility>
8	tim	1804	#include <vector>
9	gezelter	1490
10	tim	1719	namespace oopse {
11	gezelter	1490
12	tim	1721	/**
13			* @class Exclude Exclude.hpp "brains/Exclude.hpp"
14			* @brief Exclude class maintains the exclusion list of the simulation by the global indices of the
15			* atoms. The exclusion list will be passed to fortran in a plain array.
16			*/
17	tim	1727	class Exclude {
18	tim	1719	public:
19	gezelter	1490
20	tim	1804	Exclude() : modified_(false) {}
21	tim	1721
22	gezelter	1490
23	tim	1721	/** Adds a pair into this Exclude class */
24	tim	1719	void addPair(int i, int j);
25
26	tim	1721	/** Remove a pair from Exclude class */
27	tim	1719	void removePair(int i, int j);
28
29	tim	1721	/** Checks whether pair (i, j) is in this Exclude class */
30			bool hasPair(int i, int j) {
31			return findPair(i, j) != excludeSet_.end();
32			}
33	tim	1727
34	tim	1721	/** Returns the number of exclusion pair */
35	tim	1727	int getSize();
36	tim	1719
37	tim	1721	/** Returns the size of exclusion list */
38			int getSizeOfExcludeList();
39
40			/** Returns the exclusion pairs in a plain array*/
41	tim	1727	int *getExcludeList();
42	tim	1719
43	tim	1721	/** write out the exclusion list to an ostream */
44	tim	1804	friend std::ostream& operator <<(std::ostream& o, Exclude& e);
45	tim	1719
46	tim	1721	private:
47
48	tim	1727	std::set<std::pair<int, int> >::iterator findPair(int i, int j);
49	tim	1721
50	tim	1727	std::set < std::pair<int, int> > excludeSet_;
51			std::vector < std::pair<int, int> > excludeList_;
52	tim	1719	bool modified_;
53	tim	1727	};
54	tim	1719
55	tim	1727	} //end namespace oopse
56	gezelter	1490
57			#endif // __EXCLUDE_H__