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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 354 by tim, Wed Feb 16 20:30:50 2005 UTC

# Line 38 | Line 38
38   * University of Notre Dame has been advised of the possibility of
39   * such damages.
40   */
41 < #ifndef APPLICATIONS_STATICPROPS_GOFANGLE_HPP
42 < #define APPLICATIONS_STATICPROPS_GOFANGLE_HPP
41 > #ifndef APPLICATIONS_STATICPROPS_GOFRANGLE_HPP
42 > #define APPLICATIONS_STATICPROPS_GOFRANGLE_HPP
43  
44 < #include "application/staticProps/RadialDistrFunc.hpp"
44 > #include "applications/staticProps/RadialDistrFunc.hpp"
45   namespace oopse {
46  
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, double len, int nrbins, int nangleBins);
51  
52 +        int getNRBins() {
53 +            return nRBins_;
54 +        }
55 +
56 +        double getLength() {
57 +            return len_;
58 +        }
59 +
60 +        int getNAngleBins() {return nAngleBins_;}
61 +        
62      private:
63  
64          virtual void preProcess();
# Line 56 | Line 66 | class GofRAngle : public RadialDistrFunc {
66          virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
67          virtual void processHistogram();
68  
69 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;
69 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0;
70  
71          virtual void writeRdf();
72 +
73 +        double deltaCosAngle_;
74 +        int nAngleBins_;
75 +        double len_;
76 +        int nRBins_;
77 +        double deltaR_;
78          
79          std::vector<std::vector<int> > histogram_;
80          std::vector<std::vector<double> > avgGofr_;
# Line 66 | Line 82 | class GofRAngle : public RadialDistrFunc {
82   };
83  
84  
85 < class GofRTheta : GofRAngle {
85 > class GofRTheta : public GofRAngle {
86      public:
87 <        GofRTheta(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len);
88 <
87 >        GofRTheta(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins, int nangleBins)
88 >            : GofRAngle (info, filename, sele1, sele2, len, nrbins, nangleBins) {
89 >                setOutputName(getPrefix(filename) + ".gofrt");
90 >        }
91 >        
92      private:
93  
94 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;        
94 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
95   };
96  
97  
98 < class GofROmega : GofRAngle {
98 > class GofROmega : public GofRAngle {
99      public:
100 <        GofROmega(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len);
101 <
100 >        GofROmega(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins, int nangleBins)
101 >            : GofRAngle (info, filename, sele1, sele2, len, nrbins, nangleBins) {
102 >                setOutputName(getPrefix(filename) + ".gofro");
103 >        }
104 >    
105      private:
106 <
85 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;        
106 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
107   };
108  
109   }

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