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root/OpenMD/trunk/src/applications/staticProps/RadialDistrFunc.hpp
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Comparing trunk/src/applications/staticProps/RadialDistrFunc.hpp (file contents):
Revision 307 by tim, Wed Feb 9 18:12:47 2005 UTC vs.
Revision 353 by tim, Wed Feb 16 19:36:30 2005 UTC

# Line 46 | Line 46
46  
47   #include "selection/SelectionEvaluator.hpp"
48   #include "selection/SelectionManager.hpp"
49 + #include "utils/NumericConstant.hpp"
50   namespace oopse {
51  
52   /**
# Line 54 | Line 55 | class RadialDistrFunc {
55   */
56   class RadialDistrFunc {
57      public:
58 <        RadialDistrFunc(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2. double len);
58 >        RadialDistrFunc(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2);
59  
60 +        virtual ~RadialDistrFunc() {}
61 +        
62          void process();        
63  
61 –        void setNBins(int nbins) {
62 –            assert(nbins > 0);
63 –            nbins_ = nbins;
64 –            delta_ = len_ / nbins_;
65 –        }
66 –
67 –        int getNBins() {
68 –            return nbins_;
69 –        }
70 –        
64          void setOutputName(const std::string& filename) {
65              outputFilename_ = filename;
66          }
# Line 86 | Line 79 | class RadialDistrFunc {
79          virtual void preProcess() {}
80          virtual void postProcess() {}
81  
82 +        int getNPairs() { return nPairs_;}
83 +        
84          SimInfo* info_;
85          Snapshot* currentSnapshot_;
86 <        double len_;
92 <        int nbins_;
93 <        double delta_;
86 >
87          std::string dumpFilename_;
88          std::string outputFilename_;
89          int step_;
90          std::string selectionScript1_;
91          std::string selectionScript2_;
92          int nProcessed_;
93 +        
94      private:
95  
96          virtual void initalizeHistogram() {}
97          virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2) =0;
98          virtual void processHistogram() = 0;
99 +        void processNonOverlapping(SelectionManager& sman1, SelectionManager& sman2);
100 +        void processOverlapping(SelectionManager& sman);
101  
102          virtual void writeRdf() = 0;
103  
# Line 110 | Line 106 | class RadialDistrFunc {
106          SelectionEvaluator evaluator2_;
107          SelectionManager seleMan1_;
108          SelectionManager seleMan2_;
109 <        
109 >        SelectionManager sele1_minus_common_;
110 >        SelectionManager sele2_minus_common_;
111 >        SelectionManager common_;        
112 >        int nPairs_;
113   };
114  
115  

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