--- trunk/src/applications/staticProps/GofRAngle.cpp 2006/05/17 19:54:27 962 +++ trunk/src/applications/staticProps/GofRAngle.cpp 2006/05/17 21:51:42 963 @@ -47,7 +47,7 @@ namespace oopse { namespace oopse { GofRAngle::GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, - const std::string& sele2, double len, int nrbins, int nangleBins) + const std::string& sele2, RealType len, int nrbins, int nangleBins) : RadialDistrFunc(info, filename, sele1, sele2), len_(len), nRBins_(nrbins), nAngleBins_(nangleBins){ deltaR_ = len_ /nRBins_; @@ -79,16 +79,16 @@ namespace oopse { void GofRAngle::processHistogram() { int nPairs = getNPairs(); - double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume(); - double pairDensity = nPairs /volume; - double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0; + RealType volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume(); + RealType pairDensity = nPairs /volume; + 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; for (int j = 0; j < histogram_[i].size(); ++j){ avgGofr_[i][j] += histogram_[i][j] / nIdeal; @@ -108,12 +108,12 @@ namespace oopse { Vector3d r12 = pos2 - pos1; currentSnapshot_->wrapVector(r12); - double distance = r12.length(); + RealType distance = r12.length(); int whichRBin = distance / deltaR_; if (distance <= len_) { - double cosAngle = evaluateAngle(sd1, sd2); - double halfBin = (nAngleBins_ - 1) * 0.5; + RealType cosAngle = evaluateAngle(sd1, sd2); + RealType halfBin = (nAngleBins_ - 1) * 0.5; int whichThetaBin = halfBin * (cosAngle + 1.0); ++histogram_[whichRBin][whichThetaBin]; @@ -130,10 +130,10 @@ namespace oopse { rdfStream << "#nRBins = " << nRBins_ << "\t maxLen = " << len_ << "deltaR = " << deltaR_ <<"\n"; rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n"; for (int i = 0; i < avgGofr_.size(); ++i) { - double r = deltaR_ * (i + 0.5); + RealType r = deltaR_ * (i + 0.5); for(int j = 0; j < avgGofr_[i].size(); ++j) { - double cosAngle = -1.0 + (j + 0.5)*deltaCosAngle_; + RealType cosAngle = -1.0 + (j + 0.5)*deltaCosAngle_; rdfStream << avgGofr_[i][j]/nProcessed_ << "\t"; } @@ -149,7 +149,7 @@ namespace oopse { rdfStream.close(); } - double GofRTheta::evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) { + RealType GofRTheta::evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) { Vector3d pos1 = sd1->getPos(); Vector3d pos2 = sd2->getPos(); Vector3d r12 = pos2 - pos1; @@ -160,7 +160,7 @@ namespace oopse { return dot(r12, dipole); } - double GofROmega::evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) { + RealType GofROmega::evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) { Vector3d v1 = sd1->getElectroFrame().getColumn(2); Vector3d v2 = sd2->getElectroFrame().getColumn(2); v1.normalize();