26 #ifndef BALL_QSAR_REGRESSIONMODEL_H
27 #define BALL_QSAR_REGRESSIONMODEL_H
52 EIGEN_MAKE_ALIGNED_OPERATOR_NEW
65 const Eigen::MatrixXd* getTrainingResult()
const;
67 virtual void saveToFile(
string filename);
69 virtual void readFromFile(
string filename);
97 virtual void calculateOffsets() = 0;
99 void readDescriptorInformationFromFile(std::ifstream& in,
int no_descriptors,
bool transformation,
int no_coefficients);
101 void saveDescriptorInformationToFile(std::ofstream& out);
111 #endif // BALL_QSAR_REGRESSIONMODEL_H
Eigen::RowVectorXd offsets_
Eigen::MatrixXd training_result_
RegressionValidation * validation