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root/OpenMD/trunk/src/brains/Stats.hpp
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Comparing trunk/src/brains/Stats.hpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 541 by tim, Sun May 22 21:05:15 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 >      PRESSURE_TENSOR_X,
86 >      PRESSURE_TENSOR_Y,
87 >      PRESSURE_TENSOR_Z,      
88 >      ENDINDEX  //internal use
89 >    };
90  
91 <        Stats();
92 <        const double& operator [](int index) const {
93 <            assert(index >=0 && index < ENDINDEX);
94 <            return data_[index];
95 <        }
91 >    Stats();
92 >    const double& operator [](int index) const {
93 >      assert(index >=0 && index < ENDINDEX);
94 >      return data_[index];
95 >    }
96  
97 <        double& operator [](int index){
98 <            assert(index >=0 && index < ENDINDEX);            
99 <            return data_[index];
100 <        }
97 >    double& operator [](int index){
98 >      assert(index >=0 && index < ENDINDEX);            
99 >      return data_[index];
100 >    }
101          
102 <        static std::string getTitle(int index) {
103 <            assert(index >=0 && index < ENDINDEX);
104 <            return title_[index];
105 <        }
102 >    static std::string getTitle(int index) {
103 >      assert(index >=0 && index < ENDINDEX);
104 >      return title_[index];
105 >    }
106  
107 <        static std::string getUnits(int index) {
108 <            assert(index >=0 && index < ENDINDEX);
109 <            return units_[index];
110 <        }
107 >    static std::string getUnits(int index) {
108 >      assert(index >=0 && index < ENDINDEX);
109 >      return units_[index];
110 >    }
111  
112 <        Mat3x3d getTau() {
113 <            return tau_;
114 <        }
112 >    Mat3x3d getTau() {
113 >      return tau_;
114 >    }
115          
116 <        void setTau(const Mat3x3d& tau) {
117 <            tau_ = tau;
118 <        }
116 >    void setTau(const Mat3x3d& tau) {
117 >      tau_ = tau;
118 >    }
119          
120 <    private:
121 <        static void init();
122 <        static bool isInit_;
123 <        double data_[ENDINDEX - BEGININDEX];
124 <        static std::string title_[ENDINDEX - BEGININDEX];
125 <        static std::string units_[ENDINDEX - BEGININDEX];
126 <        Mat3x3d tau_;
127 < };
120 >  private:
121 >    static void init();
122 >    static bool isInit_;
123 >    double data_[ENDINDEX - BEGININDEX];
124 >    static std::string title_[ENDINDEX - BEGININDEX];
125 >    static std::string units_[ENDINDEX - BEGININDEX];
126 >    Mat3x3d tau_;
127 >  };
128  
129   } //end namespace oopse
130   #endif //BRAINS_STATS_HPP

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