6 #ifndef BALL_QSAR_CLASSIFICATIONMODEL_H
7 #define BALL_QSAR_CLASSIFICATIONMODEL_H
9 #ifndef BALL_QSAR_MODEL_H
13 #ifndef BALL_QSAR_CLASSIFICATIONVALIDATION_H
17 #ifndef BALL_QSAR_EXCEPTION_H
82 void (
ClassificationModel::* discretizeFeatures)(
unsigned int bins, Eigen::MatrixXd& discretization_information);
86 void (
ClassificationModel::* discretizeTestDataFeatures)(Eigen::VectorXd& compound,
unsigned int bins,
const Eigen::MatrixXd& discretization_information);
ClassificationValidation * validation
virtual void operator=(ClassificationModel &m)
std::vector< int > getClassLabels()
ClassificationModel(const QSARData &q)
void equalSpaceDiscretization(unsigned int bins, Eigen::MatrixXd &discretization_information)
std::vector< int > labels_
void equalSpaceDiscretizationTestData(Eigen::VectorXd &compound, unsigned int bins, const Eigen::MatrixXd &discretization_information)
void saveClassInformationToFile(std::ofstream &out)
void readClassInformationFromFile(std::ifstream &input, int no_classes)
std::vector< int > no_substances_