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hub / github.com/SINGROUP/dscribe / k3WeightExponential

Method k3WeightExponential

dscribe/ext/mbtr.cpp:558–567  ·  view source on GitHub ↗

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556}
557
558inline double MBTR::k3WeightExponential(const int &i, const int &j, const int &k, const vector<vector<double> > &distances, double scale)
559{
560 double dist1 = distances[i][j];
561 double dist2 = distances[j][k];
562 double dist3 = distances[k][i];
563 double distTotal = dist1 + dist2 + dist3;
564 double expValue = exp(-scale*distTotal);
565
566 return expValue;
567}
568
569inline double MBTR::k3WeightSmooth(const int &i, const int &j, const int &k, const vector<vector<double> > &distances, double sharpness, double cutoff)
570{

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