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