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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 311 by tim, Thu Feb 10 22:37:21 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);
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 setLength(double len) {
67 +            len_ = len;
68 +            deltaR_ = len_ /nRBins_;                
69 +        }
70 +
71 +        double getLength() {
72 +            return len_;
73 +        }
74 +        
75 +        void setNAngleBins(int nbins) {
76 +            assert(nbins >0);
77 +            nAngleBins_ = nbins;
78 +            deltaCosAngle_ = 2.0 / nAngleBins_;
79 +            for (int i = 0 ; i < nRBins_; ++i) {
80 +                histogram_[i].resize(nAngleBins_);
81 +                avgGofr_[i].resize(nAngleBins_);
82 +            }
83 +        }
84 +        
85 +        int getNAngleBins() {return nAngleBins_;}
86 +        
87      private:
88  
89          virtual void preProcess();
# Line 56 | Line 91 | class GofRAngle : public RadialDistrFunc {
91          virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
92          virtual void processHistogram();
93  
94 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;
94 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0;
95  
96          virtual void writeRdf();
97 +
98 +        double deltaCosAngle_;
99 +        int nAngleBins_;
100 +        double len_;
101 +        int nRBins_;
102 +        double deltaR_;
103          
104          std::vector<std::vector<int> > histogram_;
105          std::vector<std::vector<double> > avgGofr_;
# Line 66 | Line 107 | class GofRAngle : public RadialDistrFunc {
107   };
108  
109  
110 < class GofRTheta : GofRAngle {
110 > class GofRTheta : public GofRAngle {
111      public:
112 <        GofRTheta(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len);
113 <
112 >        GofRTheta(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2)
113 >            : GofRAngle (info, filename, sele1, sele2) {
114 >                setOutputName(getPrefix(filename) + ".gt");
115 >        }
116 >        
117      private:
118  
119 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;        
119 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
120   };
121  
122  
123 < class GofROmega : GofRAngle {
123 > class GofROmega : public GofRAngle {
124      public:
125 <        GofROmega(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len);
126 <
125 >        GofROmega(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2)
126 >            : GofRAngle (info, filename, sele1, sele2) {
127 >                setOutputName(getPrefix(filename) + ".go");
128 >        }
129 >    
130      private:
131 <
85 <        virtual double evaluateAngel(StuntDouble* sd1, StuntDouble* sd2) = 0;        
131 >        virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
132   };
133  
134   }

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