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Comparing trunk/OOPSE-3.0/src/brains/Stats.hpp (file contents):
Revision 1930 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 39 | Line 39
39   * such damages.
40   */
41    
42 < /**
43 <  * @file Stats.hpp
44 <  * @author tlin
45 <  * @date 11/04/2004
46 <  * @time 23:56am
47 <  * @version 1.0
48 <  */
42 > /**
43 > * @file Stats.hpp
44 > * @author tlin
45 > * @date 11/04/2004
46 > * @time 23:56am
47 > * @version 1.0
48 > */
49  
50   #ifndef BRAINS_STATS_HPP
51   #define BRAINS_STATS_HPP
# Line 55 | Line 55 | namespace oopse {
55   #include "math/SquareMatrix3.hpp"
56   namespace oopse {
57  
58 < /**
59 < * @class Stats Stats.hpp "brains/Stats.hpp"
60 < */
61 < class Stats{
62 <    public:
63 <        enum StatsIndex {
64 <            BEGININDEX = 0,  //internal use
65 <            TIME = BEGININDEX,            
66 <            TOTAL_ENERGY,
67 <            POTENTIAL_ENERGY,
68 <            KINETIC_ENERGY,
69 <            TEMPERATURE,
70 <            PRESSURE,
71 <            VOLUME,
72 <            CONSERVED_QUANTITY,            
73 <            TRANSLATIONAL_KINETIC,
74 <            ROTATIONAL_KINETIC,
75 <            LONG_RANGE_POTENTIAL,  
76 <            SHORT_RANGE_POTENTIAL,
77 <            VANDERWAALS_POTENTIAL,
78 <            ELECTROSTATIC_POTENTIAL,
79 <            BOND_POTENTIAL,
80 <            BEND_POTENTIAL,
81 <            DIHEDRAL_POTENTIAL,
82 <            IMPROPER_POTENTIAL,
83 <            VRAW,
84 <            VHARM,
85 <            ENDINDEX  //internal use
86 <        };
58 >  /**
59 >   * @class Stats Stats.hpp "brains/Stats.hpp"
60 >   */
61 >  class Stats{
62 >  public:
63 >    enum StatsIndex {
64 >      BEGININDEX = 0,  //internal use
65 >      TIME = BEGININDEX,            
66 >      TOTAL_ENERGY,
67 >      POTENTIAL_ENERGY,
68 >      KINETIC_ENERGY,
69 >      TEMPERATURE,
70 >      PRESSURE,
71 >      VOLUME,
72 >      CONSERVED_QUANTITY,            
73 >      TRANSLATIONAL_KINETIC,
74 >      ROTATIONAL_KINETIC,
75 >      LONG_RANGE_POTENTIAL,  
76 >      SHORT_RANGE_POTENTIAL,
77 >      VANDERWAALS_POTENTIAL,
78 >      ELECTROSTATIC_POTENTIAL,
79 >      BOND_POTENTIAL,
80 >      BEND_POTENTIAL,
81 >      DIHEDRAL_POTENTIAL,
82 >      IMPROPER_POTENTIAL,
83 >      VRAW,
84 >      VHARM,
85 >      ENDINDEX  //internal use
86 >    };
87  
88 <        Stats();
89 <        const double& operator [](int index) const {
90 <            assert(index >=0 && index < ENDINDEX);
91 <            return data_[index];
92 <        }
88 >    Stats();
89 >    const double& operator [](int index) const {
90 >      assert(index >=0 && index < ENDINDEX);
91 >      return data_[index];
92 >    }
93  
94 <        double& operator [](int index){
95 <            assert(index >=0 && index < ENDINDEX);            
96 <            return data_[index];
97 <        }
94 >    double& operator [](int index){
95 >      assert(index >=0 && index < ENDINDEX);            
96 >      return data_[index];
97 >    }
98          
99 <        static std::string getTitle(int index) {
100 <            assert(index >=0 && index < ENDINDEX);
101 <            return title_[index];
102 <        }
99 >    static std::string getTitle(int index) {
100 >      assert(index >=0 && index < ENDINDEX);
101 >      return title_[index];
102 >    }
103  
104 <        static std::string getUnits(int index) {
105 <            assert(index >=0 && index < ENDINDEX);
106 <            return units_[index];
107 <        }
104 >    static std::string getUnits(int index) {
105 >      assert(index >=0 && index < ENDINDEX);
106 >      return units_[index];
107 >    }
108  
109 <        Mat3x3d getTau() {
110 <            return tau_;
111 <        }
109 >    Mat3x3d getTau() {
110 >      return tau_;
111 >    }
112          
113 <        void setTau(const Mat3x3d& tau) {
114 <            tau_ = tau;
115 <        }
113 >    void setTau(const Mat3x3d& tau) {
114 >      tau_ = tau;
115 >    }
116          
117 <    private:
118 <        static void init();
119 <        static bool isInit_;
120 <        double data_[ENDINDEX - BEGININDEX];
121 <        static std::string title_[ENDINDEX - BEGININDEX];
122 <        static std::string units_[ENDINDEX - BEGININDEX];
123 <        Mat3x3d tau_;
124 < };
117 >  private:
118 >    static void init();
119 >    static bool isInit_;
120 >    double data_[ENDINDEX - BEGININDEX];
121 >    static std::string title_[ENDINDEX - BEGININDEX];
122 >    static std::string units_[ENDINDEX - BEGININDEX];
123 >    Mat3x3d tau_;
124 >  };
125  
126   } //end namespace oopse
127   #endif //BRAINS_STATS_HPP

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