47 |
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namespace oopse { |
48 |
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49 |
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GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len) |
50 |
< |
: RadialDistrFunc(info, filename, sele1, sele2, len){ |
50 |
> |
: RadialDistrFunc(info, filename, sele1, sele2){ |
51 |
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52 |
< |
histogram_.resize(nbins_); |
53 |
< |
avgGofr_.resize(nbins_); |
52 |
> |
deltaR_ = len_ /nRBins_; |
53 |
> |
|
54 |
> |
histogram_.resize(nRBins_); |
55 |
> |
avgGofr_.resize(nRBins_); |
56 |
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} |
57 |
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58 |
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59 |
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void GofR::preProcess() { |
58 |
– |
avgGofr_.resize(nbins_); |
60 |
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std::fill(avgGofr_.begin(), avgGofr_.end(), 0.0); |
61 |
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} |
62 |
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|
98 |
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double distance = r12.length(); |
99 |
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100 |
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int whichBin = distance / deltaR_; |
101 |
< |
histogram_[whichBin] ++; |
102 |
< |
npairs_++; |
101 |
> |
++histogram_[whichBin]; |
102 |
> |
++npairs_; |
103 |
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} |
104 |
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105 |
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