classificationModel.h

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

#ifndef BALL_QSAR_CLASSIFICATIONMODEL_H
#define BALL_QSAR_CLASSIFICATIONMODEL_H

#ifndef BALL_QSAR_MODEL_H
#include <BALL/QSAR/Model.h>
#endif

#ifndef BALL_QSAR_CLASSIFICATIONVALIDATION_H
#include <BALL/QSAR/classificationValidation.h>
#endif

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


namespace BALL
{
  namespace QSAR
  {
    class BALL_EXPORT ClassificationModel
      : public Model
    {
      public:
        ClassificationModel(const QSARData& q);
        
        ~ClassificationModel();

        virtual void operator=(ClassificationModel& m);
        
        
        ClassificationValidation* validation;
        
        std::vector<int> getClassLabels();
        
        
      protected:
  
        void readLabels();
        
        std::vector<int> no_substances_;
        
        void readClassInformationFromFile(std::ifstream& input, int no_classes);
        void saveClassInformationToFile(std::ofstream& out);
        
        
        
        void (ClassificationModel::* discretizeFeatures)(unsigned int bins, Eigen::MatrixXd& discretization_information);
        
        void (ClassificationModel::* discretizeTestDataFeatures)(Eigen::VectorXd& compound, unsigned int bins, const Eigen::MatrixXd& discretization_information);
        
        
        void equalSpaceDiscretization(unsigned int bins, Eigen::MatrixXd& discretization_information);
        
        void equalSpaceDiscretizationTestData(Eigen::VectorXd& compound, unsigned int bins, const Eigen::MatrixXd& discretization_information);
        
        
        
  
        std::vector<int> labels_;
        
        friend class ClassificationValidation;
        
        
        
    };
  }
}

#endif // CLASSIFICATION