| 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() { |