/usr/include/BALL/QSAR/knnModel.h is in libball1.4-dev 1.4.3~beta1-3.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 | // -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
//
#ifndef BALL_QSAR_KNNMODEL_H
#define BALL_QSAR_KNNMODEL_H
#ifndef BALL_QSAR_ALLMODEL_H
#include <BALL/QSAR/allModel.h>
#endif
namespace BALL
{
namespace QSAR
{
/** class for automated lazy learning (ALL-QSAR) */
class BALL_EXPORT KNNModel : public ALLModel
{
public:
/** @name Constructors and Destructors
*/
//@{
KNNModel(const QSARData& q, int k=3);
//@}
void calculateWeights(Eigen::MatrixXd& dist, Eigen::VectorXd& w);
void setParameters(vector<double>& v);
vector<double> getParameters() const;
bool optimizeParameters(int k, int no_steps);
private:
int k_ ;
};
}
}
#endif // KNNMODEL
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