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root/group/trunk/OOPSE-4/src/applications/staticProps/GofRAngle.cpp
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Comparing trunk/OOPSE-4/src/applications/staticProps/GofRAngle.cpp (file contents):
Revision 1995 by tim, Thu Feb 10 22:37:21 2005 UTC vs.
Revision 2032 by tim, Tue Feb 15 17:24:12 2005 UTC

# Line 67 | Line 67 | void GofRAngle::processHistogram() {
67  
68  
69   void GofRAngle::processHistogram() {
70 <
70 >    int nRealPairs = getNRealPairs();
71      double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume();
72 <    double pairDensity = npairs_ /volume;
72 >    double pairDensity = nRealPairs /volume;
73      double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0;
74  
75      for(int i = 0 ; i < histogram_.size(); ++i){
# Line 100 | Line 100 | void GofRAngle::collectHistogram(StuntDouble* sd1, Stu
100      double distance = r12.length();
101      int whichRBin = distance / deltaR_;
102  
103 <    
104 <    double cosAngle = evaluateAngle(sd1, sd2);
105 <    double halfBin = (nAngleBins_ - 1) * 0.5;
106 <    int whichThetaBin = halfBin * (cosAngle + 1.0);
107 <    ++histogram_[whichRBin][whichThetaBin];
108 <    
109 <    ++npairs_;
103 >    if (distance <= len_) {
104 >        double cosAngle = evaluateAngle(sd1, sd2);
105 >        double halfBin = (nAngleBins_ - 1) * 0.5;
106 >        int whichThetaBin = halfBin * (cosAngle + 1.0);
107 >        ++histogram_[whichRBin][whichThetaBin];
108 >        
109 >        ++npairs_;
110 >    }
111   }
112  
113   void GofRAngle::writeRdf() {

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