| 47 |
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namespace oopse { |
| 48 |
|
|
| 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 |
|
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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|