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 *currHist; |
116 |
+ |
double *currGofR; |
117 |
+ |
double *avgGofR; |
118 |
+ |
|
119 |
+ |
int nFrames; |
120 |
+ |
|
121 |
+ |
|
122 |
+ |
}; |
123 |
+ |
|
124 |
|
#endif // __PAIRCORRTYPE_H__ |