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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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*/ |
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#ifndef APPLICATIONS_STATICPROPS_GOFANGLE_HPP |
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#define APPLICATIONS_STATICPROPS_GOFANGLE_HPP |
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#ifndef APPLICATIONS_STATICPROPS_GOFRANGLE_HPP |
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#define APPLICATIONS_STATICPROPS_GOFRANGLE_HPP |
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|
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#include "application/staticProps/RadialDistrFunc.hpp" |
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#include "applications/staticProps/RadialDistrFunc.hpp" |
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namespace oopse { |
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|
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class GofRAngle : public RadialDistrFunc { |
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|
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public: |
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GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len); |
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GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2); |
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|
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void setNRBins(int nbins) { |
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assert(nbins > 0); |
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nRBins_ = nbins; |
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deltaR_ = len_ / 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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|
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int getNRBins() { |
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return nRBins_; |
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} |
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|
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void setLength(double len) { |
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len_ = len; |
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deltaR_ = len_ /nRBins_; |
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} |
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|
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double getLength() { |
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return len_; |
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} |
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|
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void setNAngleBins(int nbins) { |
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assert(nbins >0); |
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nAngleBins_ = nbins; |
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deltaCosAngle_ = 2.0 / nAngleBins_; |
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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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|
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int getNAngleBins() {return nAngleBins_;} |
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|
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private: |
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|
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virtual void preProcess(); |
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virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2); |
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virtual void processHistogram(); |
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|
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virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0; |
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virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0; |
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|
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virtual void writeRdf(); |
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|
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double deltaCosAngle_; |
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int nAngleBins_; |
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double len_; |
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int nRBins_; |
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double deltaR_; |
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|
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std::vector<std::vector<int> > histogram_; |
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std::vector<std::vector<double> > avgGofr_; |
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}; |
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|
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|
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class GofRTheta : GofRAngle { |
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class GofRTheta : public GofRAngle { |
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public: |
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GofRTheta(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len); |
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|
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GofRTheta(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2) |
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: GofRAngle (info, filename, sele1, sele2) { |
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setOutputName(getPrefix(filename) + ".gofrt"); |
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} |
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|
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private: |
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|
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virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0; |
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virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2); |
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}; |
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|
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class GofROmega : GofRAngle { |
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class GofROmega : public GofRAngle { |
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public: |
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GofROmega(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len); |
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|
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GofROmega(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2) |
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: GofRAngle (info, filename, sele1, sele2) { |
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setOutputName(getPrefix(filename) + ".gofrw"); |
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} |
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|
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private: |
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|
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virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0; |
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virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2); |
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}; |
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} |