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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 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);
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 –        }
61 –
52          int getNRBins() {
53              return nRBins_;
54          }
55 <        
56 <        void setNAngleBins(int nbins) {
57 <            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 <            }
55 >
56 >        double getLength() {
57 >            return len_;
58          }
59 <        
59 >
60          int getNAngleBins() {return nAngleBins_;}
61          
62      private:
# Line 98 | 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 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:
116 –
106          virtual double evaluateAngle(StuntDouble* sd1, StuntDouble* sd2);        
107   };
108  

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