47 |
|
class GofR : public RadialDistrFunc { |
48 |
|
|
49 |
|
public: |
50 |
< |
GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2. double len); |
50 |
> |
GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2); |
51 |
|
|
52 |
+ |
|
53 |
+ |
void setNRBins(int nbins) { |
54 |
+ |
assert(nbins > 0); |
55 |
+ |
nRBins_ = nbins; |
56 |
+ |
deltaR_ = len_ / nRBins_; |
57 |
+ |
histogram_.resize(nRBins_); |
58 |
+ |
avgGofr_.resize(nRBins_); |
59 |
+ |
} |
60 |
+ |
|
61 |
+ |
int getNRBins() { |
62 |
+ |
return nRBins_; |
63 |
+ |
} |
64 |
+ |
|
65 |
|
private: |
66 |
|
|
67 |
|
virtual void preProcess(); |
70 |
|
virtual void processHistogram(); |
71 |
|
|
72 |
|
virtual void writeRdf(); |
73 |
+ |
|
74 |
+ |
double len_; |
75 |
+ |
int nRBins_; |
76 |
+ |
double deltaR_; |
77 |
|
|
78 |
|
std::vector<int> histogram_; |
79 |
|
std::vector<double> avgGofr_; |