src/brains/Stats.hpp

/*
 * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
 * 
 * Contact: oopse@oopse.org
 * 
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * All we ask is that proper credit is given for our work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
 *
 */
 
 /**
  * @file Stats.hpp
  * @author tlin
  * @date 11/04/2004
  * @time 23:56am
  * @version 1.0
  */

#ifndef BRAINS_STATS_HPP
#define BRAINS_STATS_HPP

#include <string>

#include "math/SquareMatrix3.hpp"
namespace oopse {

/**
 * @class Stats Stats.hpp "brains/Stats.hpp"
 */
class Stats{
    public:
        enum StatsIndex {
            BEGININDEX = 0,  //internal use
            TIME = BEGININDEX,            
            TOTAL_ENERGY,
            POTENTIAL_ENERGY,
            KINETIC_ENERGY,
            TEMPERATURE,
            PRESSURE,
            VOLUME,
            CONSERVED_QUANTITY,             
            TRANSLATIONAL_KINETIC,
            ROTATIONAL_KINETIC,
            LONG_RANGE_POTENTIAL,
            SHORT_RANGE_POTENTIAL,
            VANDERWAALS_POTENTIAL,
            ELECTROSTATIC_POTENTIAL,
            BOND_POTENTIAL,
            BEND_POTENTIAL,
            DIHEDRAL_POTENTIAL,
            IMPROPER_POTENTIAL,
            VRAW,
            VHARM,
            ENDINDEX  //internal use
        };

        Stats();
        const double& operator [](int index) const {
            assert(index >=0 && index < ENDINDEX);
            return data_[index];
        }

        double& operator [](int index){
            assert(index >=0 && index < ENDINDEX);            
            return data_[index];
        }
        
        static std::string getTitle(int index) {
            assert(index >=0 && index < ENDINDEX);
            return title_[index];
        }

        static std::string getUnits(int index) {
            assert(index >=0 && index < ENDINDEX);
            return units_[index];
        }

        Mat3x3d getTau() {
            return tau_;
        }
        
        void setTau(const Mat3x3d& tau) {
            tau_ = tau;
        }
        
    private:
        static void init();
        static bool isInit_;
        double data_[ENDINDEX - BEGININDEX];
        static std::string title_[ENDINDEX - BEGININDEX];
        static std::string units_[ENDINDEX - BEGININDEX];
        Mat3x3d tau_;
};

} //end namespace oopse
#endif //BRAINS_STATS_HPP
Revision:	1820
Committed:	Thu Dec 2 00:09:35 2004 UTC (19 years, 9 months ago) by tim
File size:	3249 byte(s)
Log Message:	NVE get built
#	User	Rev	Content
1	tim	1710	/*
2			* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project
3			*
4			* Contact: oopse@oopse.org
5			*
6			* This program is free software; you can redistribute it and/or
7			* modify it under the terms of the GNU Lesser General Public License
8			* as published by the Free Software Foundation; either version 2.1
9			* of the License, or (at your option) any later version.
10			* All we ask is that proper credit is given for our work, which includes
11			* - but is not limited to - adding the above copyright notice to the beginning
12			* of your source code files, and to any copyright notice that you may distribute
13			* with programs based on this work.
14			*
15			* This program is distributed in the hope that it will be useful,
16			* but WITHOUT ANY WARRANTY; without even the implied warranty of
17			* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18			* GNU Lesser General Public License for more details.
19			*
20			* You should have received a copy of the GNU Lesser General Public License
21			* along with this program; if not, write to the Free Software
22			* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
23			*
24			*/
25
26			/**
27			* @file Stats.hpp
28			* @author tlin
29			* @date 11/04/2004
30			* @time 23:56am
31			* @version 1.0
32			*/
33
34			#ifndef BRAINS_STATS_HPP
35			#define BRAINS_STATS_HPP
36
37			#include <string>
38
39	tim	1804	#include "math/SquareMatrix3.hpp"
40	tim	1710	namespace oopse {
41
42			/**
43			* @class Stats Stats.hpp "brains/Stats.hpp"
44			*/
45			class Stats{
46			public:
47			enum StatsIndex {
48	tim	1726	BEGININDEX = 0, //internal use
49	tim	1820	TIME = BEGININDEX,
50	tim	1726	TOTAL_ENERGY,
51			POTENTIAL_ENERGY,
52			KINETIC_ENERGY,
53	tim	1710	TEMPERATURE,
54			PRESSURE,
55	tim	1820	VOLUME,
56	tim	1726	CONSERVED_QUANTITY,
57			TRANSLATIONAL_KINETIC,
58			ROTATIONAL_KINETIC,
59			LONG_RANGE_POTENTIAL,
60			SHORT_RANGE_POTENTIAL,
61			VANDERWAALS_POTENTIAL,
62			ELECTROSTATIC_POTENTIAL,
63			BOND_POTENTIAL,
64			BEND_POTENTIAL,
65			DIHEDRAL_POTENTIAL,
66			IMPROPER_POTENTIAL,
67	tim	1721	VRAW,
68			VHARM,
69	tim	1712	ENDINDEX //internal use
70	tim	1710	};
71
72	tim	1804	Stats();
73	tim	1808	const double& operator [](int index) const {
74			assert(index >=0 && index < ENDINDEX);
75			return data_[index];
76	tim	1710	}
77
78	tim	1808	double& operator [](int index){
79			assert(index >=0 && index < ENDINDEX);
80			return data_[index];
81	tim	1710	}
82
83	tim	1808	static std::string getTitle(int index) {
84			assert(index >=0 && index < ENDINDEX);
85			return title_[index];
86	tim	1710	}
87	tim	1726
88	tim	1808	static std::string getUnits(int index) {
89			assert(index >=0 && index < ENDINDEX);
90			return units_[index];
91	tim	1726	}
92	tim	1804
93			Mat3x3d getTau() {
94			return tau_;
95			}
96	tim	1710
97	tim	1804	void setTau(const Mat3x3d& tau) {
98			tau_ = tau;
99			}
100
101	tim	1710	private:
102	tim	1804	static void init();
103			static bool isInit_;
104	tim	1710	double data_[ENDINDEX - BEGININDEX];
105			static std::string title_[ENDINDEX - BEGININDEX];
106	tim	1726	static std::string units_[ENDINDEX - BEGININDEX];
107	tim	1804	Mat3x3d tau_;
108	tim	1710	};
109
110			} //end namespace oopse
111			#endif //BRAINS_STATS_HPP