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root/group/trunk/OOPSE/staticProps/PairCorrType.hpp
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Comparing trunk/OOPSE/staticProps/PairCorrType.hpp (file contents):
Revision 803 by mmeineke, Fri Oct 10 17:10:22 2003 UTC vs.
Revision 873 by mmeineke, Fri Nov 21 20:07:14 2003 UTC

# Line 10 | Line 10 | class atomName{ (public)
10  
11   class atomName{
12   public:
13 <  char[MAX_NAME_LENGTH] name;
13 >  char name[MAX_NAME_LENGTH];
14   };
15  
16   class PairCorrType {
# Line 28 | Line 28 | class PairCorrType { (public)
28  
29    void setFrameVolume( double theVolume );
30  
31 <  virtual void correlate( double[3] Rij, double dist,
32 <                          double[3] uHatI, double[3] uHatJ ) = 0;
31 >  virtual void correlate( double Rij[3], double dist,
32 >                          double uHatI[3], double uHatJ[3] ) = 0;
33  
34    virtual void accumulateFrame( void ) = 0;
35  
# Line 51 | Line 51 | class PairCorrType { (public)
51    double volume;
52    double pairDensity;
53    double pairConstant;
54 +  double delR;
55  
56    int identI;
57  
# Line 70 | Line 71 | class GofR : public PairCorrType{
71  
72   class GofR : public PairCorrType{
73  
74 <  GofR( char* key1, char* key2, int theNatoms, intNbins );
74 > public:
75 >  GofR( char* key1, char* key2, int theNatoms, int theNbins );
76    virtual ~GofR();
77  
78 <  virtual void correlate( double[3] Rij, double dist,
79 <                          double[3] uHatI, double[3] uHatJ );
78 >  virtual void correlate( double Rij[3], double dist,
79 >                          double uHatI[3], double uHatJ[3] );
80  
81    virtual void accumulateFrame( void );
82    
83    virtual void writeCorr( char* outPrefix );
84  
85 +  virtual void getCorr( CorrWrap* myCorrWrap ){}
86 +
87   protected:
88    
89    int *currHist;
# Line 91 | Line 95 | class GofR : public PairCorrType{
95    
96   };
97  
98 + class GofRtheta : public PairCorrType{
99 +
100 + public:
101 +  GofRtheta( char* key1, char* key2, int theNatoms, int theNbins );
102 +  virtual ~GofRtheta();
103 +
104 +  virtual void correlate( double Rij[3], double dist,
105 +                          double uHatI[3], double uHatJ[3] );
106 +
107 +  virtual void accumulateFrame( void );
108 +  
109 +  virtual void writeCorr( char* outPrefix );
110 +
111 +  virtual void getCorr( CorrWrap* myCorrWrap ){}
112 +
113 + protected:
114 +  
115 +  int **currCosHist;
116 +  double **currGofRtheta;
117 +  double **avgGofRtheta;
118 +  
119 +  int nFrames;
120 +  
121 +  
122 + };
123 +
124   #endif // __PAIRCORRTYPE_H__

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