--- trunk/src/applications/staticProps/GofR.cpp 2005/04/15 22:04:00 507 +++ trunk/src/applications/staticProps/GofR.cpp 2006/05/17 21:51:42 963 @@ -46,7 +46,7 @@ namespace oopse { namespace oopse { - GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins) + GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, RealType len, int nrbins) : RadialDistrFunc(info, filename, sele1, sele2), len_(len), nRBins_(nrbins){ deltaR_ = len_ /nRBins_; @@ -70,16 +70,16 @@ namespace oopse { void GofR::processHistogram() { int nPairs = getNPairs(); - double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume(); - double pairDensity = nPairs /volume * 2.0; - double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0; + RealType volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume(); + RealType pairDensity = nPairs /volume * 2.0; + RealType pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0; for(int i = 0 ; i < histogram_.size(); ++i){ - double rLower = i * deltaR_; - double rUpper = rLower + deltaR_; - double volSlice = ( rUpper * rUpper * rUpper ) - ( rLower * rLower * rLower ); - double nIdeal = volSlice * pairConstant; + RealType rLower = i * deltaR_; + RealType rUpper = rLower + deltaR_; + RealType volSlice = ( rUpper * rUpper * rUpper ) - ( rLower * rLower * rLower ); + RealType nIdeal = volSlice * pairConstant; avgGofr_[i] += histogram_[i] / nIdeal; } @@ -97,7 +97,7 @@ namespace oopse { Vector3d r12 = pos2 - pos1; currentSnapshot_->wrapVector(r12); - double distance = r12.length(); + RealType distance = r12.length(); if (distance < len_) { int whichBin = distance / deltaR_; @@ -114,7 +114,7 @@ namespace oopse { rdfStream << "selection2: (" << selectionScript2_ << ")\n"; rdfStream << "#r\tcorrValue\n"; for (int i = 0; i < avgGofr_.size(); ++i) { - double r = deltaR_ * (i + 0.5); + RealType r = deltaR_ * (i + 0.5); rdfStream << r << "\t" << avgGofr_[i]/nProcessed_ << "\n"; }