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namespace oopse { |
| 48 |
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| 49 |
< |
GofRAngle::GofRAngle(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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> |
GofRAngle::GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, |
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> |
const std::string& sele2, double len, int nrbins, int nangleBins) |
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> |
: RadialDistrFunc(info, filename, sele1, sele2), len_(len), nRBins_(nrbins), nAngleBins_(nangleBins){ |
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+ |
deltaR_ = len_ /nRBins_; |
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+ |
deltaCosAngle_ = 2.0 / nAngleBins_; |
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+ |
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+ |
histogram_.resize(nRBins_); |
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+ |
avgGofr_.resize(nRBins_); |
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+ |
for (int i = 0 ; i < nRBins_; ++i) { |
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+ |
histogram_[i].resize(nAngleBins_); |
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+ |
avgGofr_[i].resize(nAngleBins_); |
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+ |
} |
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} |
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| 79 |
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void GofRAngle::processHistogram() { |
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< |
int nRealPairs = getNRealPairs(); |
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> |
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| 81 |
> |
int nPairs = getNPairs(); |
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double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume(); |
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< |
double pairDensity = nRealPairs /volume; |
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> |
double pairDensity = nPairs /volume; |
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double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0; |
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| 86 |
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for(int i = 0 ; i < histogram_.size(); ++i){ |
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double r = deltaR_ * (i + 0.5); |
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| 134 |
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for(int j = 0; j < avgGofr_[i].size(); ++j) { |
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< |
double cosAngle = -1.0 + (i + 0.5)*deltaCosAngle_; |
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> |
double cosAngle = -1.0 + (j + 0.5)*deltaCosAngle_; |
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rdfStream << r << "\t" << cosAngle << "\t" << avgGofr_[i][j]/nProcessed_ << "\n"; |
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} |
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} |
