nBModel.h

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

#ifndef NBMODEL
#define NBMODEL

#ifndef BALL_QSAR_COMMON_H
#include <BALL/QSAR/common.h>
#endif

#ifndef BAYESMODEL
#include <BALL/QSAR/bayesModel.h>
#endif

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

namespace BALL
{
  namespace QSAR 
  {

    class BALL_EXPORT NBModel : public BayesModel
    { 
      public:
        NBModel(const QSARData& q);

        ~NBModel();

        EIGEN_MAKE_ALIGNED_OPERATOR_NEW
        
        
        void train();
        
        Eigen::VectorXd predict(const vector<double>& substance, bool transform=1);
        
        void saveToFile(string filename);
        
        void readFromFile(string filename);
        
        vector<double> getParameters() const;
        
        void setParameters(vector<double>& v);
        
        bool isTrained();
        
        vector<double> calculateProbabilities(int activitiy_index, int feature_index, double feature_value);
        
        int getNoResponseVariables(); 
        
        
      private:
        
        unsigned int discretization_steps_;
        
        
        Eigen::MatrixXd min_max_;
        
        vector<MatrixVector, Eigen::aligned_allocator<MatrixVector> > probabilities_;
              

        
    };
  }
}

#endif //NBMODEL