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root/OpenMD/trunk/src/applications/staticProps/GofR.hpp
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Comparing trunk/src/applications/staticProps/GofR.hpp (file contents):
Revision 306 by tim, Wed Feb 9 17:08:22 2005 UTC vs.
Revision 311 by tim, Thu Feb 10 22:37:21 2005 UTC

# Line 41 | Line 41
41   #ifndef APPLICATIONS_STATICPROPS_GOFR_HPP
42   #define APPLICATIONS_STATICPROPS_GOFR_HPP
43  
44 < #include "application/staticProps/RadialDistrFunc.hpp"
44 > #include "applications/staticProps/RadialDistrFunc.hpp"
45   namespace oopse {
46  
47   class GofR : public RadialDistrFunc {
48      
49      public:
50 <        GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2. double len);
50 >        GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2);
51  
52 +
53 +        void setNRBins(int nbins) {
54 +            assert(nbins > 0);
55 +            nRBins_ = nbins;
56 +            deltaR_ = len_ / nRBins_;
57 +            histogram_.resize(nRBins_);
58 +            avgGofr_.resize(nRBins_);
59 +        }
60 +
61 +        int getNRBins() {
62 +            return nRBins_;
63 +        }
64 +
65 +        void setLength(double len) {
66 +            len_ = len;
67 +            deltaR_ = len_ /nRBins_;                
68 +        }
69 +
70 +        double getLength() {
71 +            return len_;
72 +        }
73 +        
74      private:
75  
76          virtual void preProcess();
# Line 57 | Line 79 | class GofR : public RadialDistrFunc {
79          virtual void processHistogram();
80  
81          virtual void writeRdf();
82 +
83 +        double len_;
84 +        int nRBins_;
85 +        double deltaR_;
86          
87          std::vector<int> histogram_;
88          std::vector<double> avgGofr_;

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