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 49 std::vector<int> getClassLabels();
68 void readClassInformationFromFile(std::ifstream& input,
int no_classes);
69 void saveClassInformationToFile(std::ofstream& out);
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);
90 void equalSpaceDiscretization(
unsigned int bins, Eigen::MatrixXd& discretization_information);
92 void equalSpaceDiscretizationTestData(Eigen::VectorXd& compound,
unsigned int bins,
const Eigen::MatrixXd& discretization_information);
113 #endif // CLASSIFICATION
ClassificationValidation * validation
-*- Mode: C++; tab-width: 2; -*-
std::vector< int > no_substances_
std::vector< int > labels_