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root/OpenMD/trunk/src/applications/staticProps/GofR.hpp
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Comparing trunk/src/applications/staticProps/GofR.hpp (file contents):
Revision 311 by tim, Thu Feb 10 22:37:21 2005 UTC vs.
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 44 | Line 44 | namespace oopse {
44   #include "applications/staticProps/RadialDistrFunc.hpp"
45   namespace oopse {
46  
47 < class GofR : public RadialDistrFunc {
47 >  class GofR : public RadialDistrFunc {
48      
49 <    public:
50 <        GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2);
49 >  public:
50 >    GofR(SimInfo* info, const std::string& filename, const std::string& sele1,
51 >         const std::string& sele2, double len, int nrbins);
52  
53 +    int getNRBins() {
54 +      return nRBins_;
55 +    }
56  
57 <        void setNRBins(int nbins) {
58 <            assert(nbins > 0);
59 <            nRBins_ = nbins;
56 <            deltaR_ = len_ / nRBins_;
57 <            histogram_.resize(nRBins_);
58 <            avgGofr_.resize(nRBins_);
59 <        }
60 <
61 <        int getNRBins() {
62 <            return nRBins_;
63 <        }
64 <
65 <        void setLength(double len) {
66 <            len_ = len;
67 <            deltaR_ = len_ /nRBins_;                
68 <        }
69 <
70 <        double getLength() {
71 <            return len_;
72 <        }
57 >    double getLength() {
58 >      return len_;
59 >    }
60          
61 <    private:
61 >  private:
62  
63 <        virtual void preProcess();
64 <        virtual void initalizeHistogram();
65 <        virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
66 <        virtual void processHistogram();
63 >    virtual void preProcess();
64 >    virtual void initalizeHistogram();
65 >    virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
66 >    virtual void processHistogram();
67  
68 <        virtual void writeRdf();
68 >    virtual void writeRdf();
69  
70 <        double len_;
71 <        int nRBins_;
72 <        double deltaR_;
70 >    double len_;
71 >    int nRBins_;
72 >    double deltaR_;
73          
74 <        std::vector<int> histogram_;
75 <        std::vector<double> avgGofr_;
76 <        int npairs_;
90 < };
74 >    std::vector<int> histogram_;
75 >    std::vector<double> avgGofr_;
76 >  };
77  
78   }
79   #endif

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