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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 310 by tim, Thu Feb 10 18:14:03 2005 UTC vs.
Revision 507 by gezelter, Fri Apr 15 22:04:00 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 {
47 >  class GofRAngle : public RadialDistrFunc {
48      
49 <    public:
50 <        GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2);
49 >  public:
50 >    GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins, int nangleBins);
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 <        }
52 >    int getNRBins() {
53 >      return nRBins_;
54 >    }
55  
56 <        int getNRBins() {
57 <            return nRBins_;
58 <        }
56 >    double getLength() {
57 >      return len_;
58 >    }
59 >
60 >    int getNAngleBins() {return nAngleBins_;}
61          
62 <        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:
62 >  private:
63  
64 <        virtual void preProcess();
65 <        virtual void initalizeHistogram();
66 <        virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
67 <        virtual void processHistogram();
64 >    virtual void preProcess();
65 >    virtual void initalizeHistogram();
66 >    virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
67 >    virtual void processHistogram();
68  
69 <        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0;
69 >    virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0;
70  
71 <        virtual void writeRdf();
71 >    virtual void writeRdf();
72  
73 <        double deltaCosAngle_;
74 <        int nAngleBins_;
75 <        double len_;
76 <        int nRBins_;
77 <        double deltaR_;
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_;
81 <        int npairs_;
82 < };
79 >    std::vector<std::vector<int> > histogram_;
80 >    std::vector<std::vector<double> > avgGofr_;
81 >    int npairs_;
82 >  };
83  
84  
85 < class GofRTheta : GofRAngle {
86 <    public:
87 <        GofRTheta(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len);
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, int nrbins, int nangleBins)
88 >      : GofRAngle (info, filename, sele1, sele2, len, nrbins, nangleBins) {
89 >        setOutputName(getPrefix(filename) + ".gofrt");
90 >      }
91 >        
92 >  private:
93  
94 <    private:
94 >    virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
95 >  };
96  
107 –        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
108 – };
97  
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, int nrbins, int nangleBins)
101 +      : GofRAngle (info, filename, sele1, sele2, len, nrbins, nangleBins) {
102 +        setOutputName(getPrefix(filename) + ".gofro");
103 +      }
104 +    
105 +  private:
106 +    virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
107 +  };
108  
111 – class GofROmega : GofRAngle {
112 –    public:
113 –        GofROmega(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len);
114 –
115 –    private:
116 –
117 –        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
118 – };
119 –
109   }
110   #endif
111  

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