47 |
|
class GofRAngle : public RadialDistrFunc { |
48 |
|
|
49 |
|
public: |
50 |
< |
GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len); |
50 |
> |
GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2); |
51 |
|
|
52 |
+ |
void setNRBins(int nbins) { |
53 |
+ |
assert(nbins > 0); |
54 |
+ |
nRBins_ = nbins; |
55 |
+ |
deltaR_ = len_ / nRBins_; |
56 |
+ |
for (int i = 0 ; i < nRBins_; ++i) { |
57 |
+ |
histogram_[i].resize(nAngleBins_); |
58 |
+ |
avgGofr_[i].resize(nAngleBins_); |
59 |
+ |
} |
60 |
+ |
} |
61 |
+ |
|
62 |
+ |
int getNRBins() { |
63 |
+ |
return nRBins_; |
64 |
+ |
} |
65 |
+ |
|
66 |
+ |
void setNAngleBins(int nbins) { |
67 |
+ |
assert(nbins >0); |
68 |
+ |
nAngleBins_ = nbins; |
69 |
+ |
deltaCosAngle_ = 2.0 / nAngleBins_; |
70 |
+ |
for (int i = 0 ; i < nRBins_; ++i) { |
71 |
+ |
histogram_[i].resize(nAngleBins_); |
72 |
+ |
avgGofr_[i].resize(nAngleBins_); |
73 |
+ |
} |
74 |
+ |
} |
75 |
+ |
|
76 |
+ |
int getNAngleBins() {return nAngleBins_;} |
77 |
+ |
|
78 |
|
private: |
79 |
|
|
80 |
|
virtual void preProcess(); |
82 |
|
virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2); |
83 |
|
virtual void processHistogram(); |
84 |
|
|
85 |
< |
virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0; |
85 |
> |
virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0; |
86 |
|
|
87 |
|
virtual void writeRdf(); |
88 |
+ |
|
89 |
+ |
double deltaCosAngle_; |
90 |
+ |
int nAngleBins_; |
91 |
+ |
double len_; |
92 |
+ |
int nRBins_; |
93 |
+ |
double deltaR_; |
94 |
|
|
95 |
|
std::vector<std::vector<int> > histogram_; |
96 |
|
std::vector<std::vector<double> > avgGofr_; |
104 |
|
|
105 |
|
private: |
106 |
|
|
107 |
< |
virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0; |
107 |
> |
virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2); |
108 |
|
}; |
109 |
|
|
110 |
|
|
114 |
|
|
115 |
|
private: |
116 |
|
|
117 |
< |
virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0; |
117 |
> |
virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2); |
118 |
|
}; |
119 |
|
|
120 |
|
} |