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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 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1213 by xsun, Wed Jan 23 21:21:50 2008 UTC

# Line 47 | Line 47 | namespace oopse {
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, int nrbins, int nangleBins);
50 >    GofRAngle(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, RealType len, int nrbins, int nangleBins);
51  
52      int getNRBins() {
53        return nRBins_;
54      }
55  
56 <    double getLength() {
56 >    RealType getLength() {
57        return len_;
58      }
59  
# Line 63 | Line 63 | namespace oopse {
63  
64      virtual void preProcess();
65      virtual void initalizeHistogram();
66 –    virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
66      virtual void processHistogram();
67 +    virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
68  
69 <    virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0;
69 >    virtual RealType evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) = 0;
70  
71      virtual void writeRdf();
72  
73 <    double deltaCosAngle_;
73 >    RealType deltaCosAngle_;
74      int nAngleBins_;
75 <    double len_;
75 >    RealType len_;
76      int nRBins_;
77 <    double deltaR_;
77 >    RealType deltaR_;
78          
79      std::vector<std::vector<int> > histogram_;
80 <    std::vector<std::vector<double> > avgGofr_;
80 >    std::vector<std::vector<RealType> > avgGofr_;
81      int npairs_;
82    };
83  
84  
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)
87 >    GofRTheta(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, RealType 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 evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
94 >    virtual RealType evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
95    };
96  
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)
100 >    GofROmega(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, RealType 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);        
106 >    virtual RealType evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
107    };
108  
109   }

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