plsModel.h

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

#ifndef PLSMODEL
#define PLSMODEL

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

#ifndef STATISTICS
#include <BALL/QSAR/statistics.h>
#endif

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

#include <BALL/QSAR/latentVariableModel.h>


namespace BALL
{
  namespace QSAR
  { 
    class BALL_EXPORT PLSModel : public LinearModel, public LatentVariableModel
    {
      public:
        PLSModel(const QSARData& q);

        ~PLSModel();

        EIGEN_MAKE_ALIGNED_OPERATOR_NEW
        
        
        virtual void train();
        
        virtual bool optimizeParameters(int k, int no_steps);

        void setNoComponents(int no);
        
        int getNoComponents();
        
        const Eigen::MatrixXd* getU();
        
        void setParameters(vector<double>& v);
        
        vector<double> getParameters() const;
    
        
      protected:
        
        Eigen::MatrixXd U_;
  
        int no_components_;
    };
  }
}


#endif // PLSMODEL