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6 #ifndef BALL_QSAR_REGRESSIONMODEL_H
7 #define BALL_QSAR_REGRESSIONMODEL_H
32 EIGEN_MAKE_ALIGNED_OPERATOR_NEW
91 #endif // BALL_QSAR_REGRESSIONMODEL_H
Eigen::MatrixXd training_result_
RegressionModel(const QSARData &q)
virtual void saveToFile(string filename)
virtual void readFromFile(string filename)
RegressionValidation * validation
virtual EIGEN_MAKE_ALIGNED_OPERATOR_NEW void operator=(const RegressionModel &m)
virtual void calculateOffsets()=0
void readDescriptorInformationFromFile(std::ifstream &in, int no_descriptors, bool transformation, int no_coefficients)
void saveDescriptorInformationToFile(std::ofstream &out)
const Eigen::MatrixXd * getTrainingResult() const
Eigen::RowVectorXd offsets_