68 |
|
} |
69 |
|
} |
70 |
|
|
71 |
< |
void GofRAngle::initalizeHistogram() { |
71 |
> |
void GofRAngle::initializeHistogram() { |
72 |
|
npairs_ = 0; |
73 |
|
for (unsigned int i = 0; i < histogram_.size(); ++i){ |
74 |
|
std::fill(histogram_[i].begin(), histogram_[i].end(), 0); |
107 |
|
currentSnapshot_->wrapVector(r12); |
108 |
|
|
109 |
|
RealType distance = r12.length(); |
110 |
< |
int whichRBin = distance / deltaR_; |
110 |
> |
int whichRBin = int(distance / deltaR_); |
111 |
|
|
112 |
|
if (distance <= len_) { |
113 |
|
|
114 |
|
RealType cosAngle = evaluateAngle(sd1, sd2); |
115 |
|
RealType halfBin = (nAngleBins_ - 1) * 0.5; |
116 |
< |
int whichThetaBin = halfBin * (cosAngle + 1.0); |
116 |
> |
int whichThetaBin = int(halfBin * (cosAngle + 1.0)); |
117 |
|
++histogram_[whichRBin][whichThetaBin]; |
118 |
|
|
119 |
|
++npairs_; |