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knnModel.h
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// -*- 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 BALL_EXPORT KNNModel : public ALLModel
{
public:
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
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
allModel.h
BALL::QSAR::ALLModel::ALLModel
ALLModel(const QSARData &q, double kw=4)
BALL::QSAR::KNNModel::setParameters
void setParameters(vector< double > &v)
BALL::QSAR::KNNModel::getParameters
vector< double > getParameters() const
BALL::QSAR::KNNModel::KNNModel
KNNModel(const QSARData &q, int k=3)
BALL::QSAR::KNNModel::optimizeParameters
bool optimizeParameters(int k, int no_steps)
BALL::QSAR::KNNModel::calculateWeights
void calculateWeights(Eigen::MatrixXd &dist, Eigen::VectorXd &w)
BALL::QSAR::QSARData
Definition QSARData.h:56
BALL::QSAR
Definition allModel.h:17
BALL
Definition constants.h:13