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root/OpenMD/trunk/src/brains/Stats.hpp
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Comparing trunk/src/brains/Stats.hpp (file contents):
Revision 541 by tim, Sun May 22 21:05:15 2005 UTC vs.
Revision 1369 by skuang, Mon Oct 19 13:40:11 2009 UTC

# Line 51 | Line 51
51   #define BRAINS_STATS_HPP
52  
53   #include <string>
54 + #include <map>
55  
56   #include "math/SquareMatrix3.hpp"
57   namespace oopse {
# Line 69 | Line 70 | namespace oopse {
70        TEMPERATURE,
71        PRESSURE,
72        VOLUME,
73 +      HULLVOLUME,
74 +      GYRVOLUME,
75        CONSERVED_QUANTITY,            
76        TRANSLATIONAL_KINETIC,
77        ROTATIONAL_KINETIC,
# Line 79 | Line 82 | namespace oopse {
82        BOND_POTENTIAL,
83        BEND_POTENTIAL,
84        DIHEDRAL_POTENTIAL,
85 <      IMPROPER_POTENTIAL,
85 >      INVERSION_POTENTIAL,
86        VRAW,
87        VHARM,
88 <      PRESSURE_TENSOR_X,
89 <      PRESSURE_TENSOR_Y,
90 <      PRESSURE_TENSOR_Z,      
88 >      PRESSURE_TENSOR_XX,
89 >      PRESSURE_TENSOR_XY,
90 >      PRESSURE_TENSOR_XZ,
91 >      PRESSURE_TENSOR_YX,
92 >      PRESSURE_TENSOR_YY,
93 >      PRESSURE_TENSOR_YZ,
94 >      PRESSURE_TENSOR_ZX,
95 >      PRESSURE_TENSOR_ZY,
96 >      PRESSURE_TENSOR_ZZ,
97 >      BOX_DIPOLE_X,
98 >      BOX_DIPOLE_Y,
99 >      BOX_DIPOLE_Z,
100 >      TAGGED_PAIR_DISTANCE,
101 >      RNEMD_EXCHANGE_TOTAL,
102        ENDINDEX  //internal use
103      };
104  
105      Stats();
106 <    const double& operator [](int index) const {
106 >    const RealType& operator [](int index) const {
107        assert(index >=0 && index < ENDINDEX);
108        return data_[index];
109      }
110  
111 <    double& operator [](int index){
111 >    RealType& operator [](int index){
112        assert(index >=0 && index < ENDINDEX);            
113        return data_[index];
114      }
# Line 116 | Line 130 | namespace oopse {
130      void setTau(const Mat3x3d& tau) {
131        tau_ = tau;
132      }
133 <        
133 >
134 >    typedef std::map<std::string, Stats::StatsIndex> StatsMapType;
135 >    static  StatsMapType statsMap;
136 >  
137    private:
138      static void init();
139      static bool isInit_;
140 <    double data_[ENDINDEX - BEGININDEX];
140 >    RealType data_[ENDINDEX - BEGININDEX];
141      static std::string title_[ENDINDEX - BEGININDEX];
142      static std::string units_[ENDINDEX - BEGININDEX];
143      Mat3x3d tau_;
144    };
145  
146 +
147 +
148   } //end namespace oopse
149   #endif //BRAINS_STATS_HPP

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