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namespace oopse { |
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< |
GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len) |
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> |
GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2) |
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: RadialDistrFunc(info, filename, sele1, sele2){ |
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deltaR_ = len_ /nRBins_; |
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histogram_.resize(nRBins_); |
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avgGofr_.resize(nRBins_); |
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+ |
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+ |
setOutputName(getPrefix(filename) + ".gr"); |
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} |
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double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume(); |
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double pairDensity = npairs_ /volume; |
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< |
double pairConstant = ( 4.0 * PI * pairDensity ) / 3.0; |
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> |
double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0; |
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for(int i = 0 ; i < histogram_.size(); ++i){ |
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double distance = r12.length(); |
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102 |
< |
int whichBin = distance / deltaR_; |
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< |
++histogram_[whichBin]; |
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< |
++npairs_; |
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> |
if (distance < len_) { |
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> |
int whichBin = distance / deltaR_; |
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> |
++histogram_[whichBin]; |
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> |
++npairs_; |
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> |
} |
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} |
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