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root/OpenMD/trunk/src/applications/staticProps/GofRAngle.hpp
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Comparing trunk/src/applications/staticProps/GofRAngle.hpp (file contents):
Revision 309 by tim, Thu Feb 10 14:15:52 2005 UTC vs.
Revision 310 by tim, Thu Feb 10 18:14:03 2005 UTC

# Line 47 | Line 47 | class GofRAngle : public RadialDistrFunc {
47   class GofRAngle : public RadialDistrFunc {
48      
49      public:
50 <        GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len);
50 >        GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2);
51  
52 +        void setNRBins(int nbins) {
53 +            assert(nbins > 0);
54 +            nRBins_ = nbins;
55 +            deltaR_ = len_ / nRBins_;
56 +            for (int i = 0 ; i < nRBins_; ++i) {
57 +                histogram_[i].resize(nAngleBins_);
58 +                avgGofr_[i].resize(nAngleBins_);
59 +            }            
60 +        }
61 +
62 +        int getNRBins() {
63 +            return nRBins_;
64 +        }
65 +        
66 +        void setNAngleBins(int nbins) {
67 +            assert(nbins >0);
68 +            nAngleBins_ = nbins;
69 +            deltaCosAngle_ = 2.0 / nAngleBins_;
70 +            for (int i = 0 ; i < nRBins_; ++i) {
71 +                histogram_[i].resize(nAngleBins_);
72 +                avgGofr_[i].resize(nAngleBins_);
73 +            }
74 +        }
75 +        
76 +        int getNAngleBins() {return nAngleBins_;}
77 +        
78      private:
79  
80          virtual void preProcess();
# Line 56 | Line 82 | class GofRAngle : public RadialDistrFunc {
82          virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
83          virtual void processHistogram();
84  
85 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;
85 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0;
86  
87          virtual void writeRdf();
88 +
89 +        double deltaCosAngle_;
90 +        int nAngleBins_;
91 +        double len_;
92 +        int nRBins_;
93 +        double deltaR_;
94          
95          std::vector<std::vector<int> > histogram_;
96          std::vector<std::vector<double> > avgGofr_;
# Line 72 | Line 104 | class GofRTheta : GofRAngle {
104  
105      private:
106  
107 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;        
107 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
108   };
109  
110  
# Line 82 | Line 114 | class GofROmega : GofRAngle {
114  
115      private:
116  
117 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;        
117 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
118   };
119  
120   }

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