pcrModel.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// 

#ifndef PCRMODEL
#define PCRMODEL

#ifndef LMODEL
#include <BALL/QSAR/linearModel.h>
#endif

#ifndef QSAR_EXCEPTION
#include <BALL/QSAR/exception.h>
#endif

#include <BALL/QSAR/rrModel.h>

#include <BALL/QSAR/latentVariableModel.h>


namespace BALL 
{
  namespace QSAR
  {
    class BALL_EXPORT PCRModel : public LinearModel, public LatentVariableModel
    {
      public:

        PCRModel(const QSARData& q, double frac_var=0.99);

        ~PCRModel();
        
        void train();
        
        
        void setFracVar(double frac_var);
        
        void setParameters(vector<double>& v);
        
        vector<double> getParameters() const;
        
        static void calculateEigenvectors(const Eigen::MatrixXd& data, double frac_var, Eigen::MatrixXd& output);

        
        
      protected:
        
        double frac_var_; 

    };
  }
}

#endif // PCRMODEL