BALL 1.5.0
classificationModel.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4//
5
6#ifndef BALL_QSAR_CLASSIFICATIONMODEL_H
7#define BALL_QSAR_CLASSIFICATIONMODEL_H
8
9#ifndef BALL_QSAR_MODEL_H
10#include <BALL/QSAR/Model.h>
11#endif
12
13#ifndef BALL_QSAR_CLASSIFICATIONVALIDATION_H
15#endif
16
17#ifndef BALL_QSAR_EXCEPTION_H
18#include <BALL/QSAR/exception.h>
19#endif
20
21
22namespace BALL
23{
24 namespace QSAR
25 {
27 : public Model
28 {
29 public:
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48
49 std::vector<int> getClassLabels();
51
52
53 protected:
54
59 void readLabels();
60
62 std::vector<int> no_substances_;
64
68 void readClassInformationFromFile(std::ifstream& input, int no_classes);
69 void saveClassInformationToFile(std::ofstream& out);
71
72
73
82 void (ClassificationModel::* discretizeFeatures)(unsigned int bins, Eigen::MatrixXd& discretization_information);
83
86 void (ClassificationModel::* discretizeTestDataFeatures)(Eigen::VectorXd& compound, unsigned int bins, const Eigen::MatrixXd& discretization_information);
87
88
90 void equalSpaceDiscretization(unsigned int bins, Eigen::MatrixXd& discretization_information);
91
92 void equalSpaceDiscretizationTestData(Eigen::VectorXd& compound, unsigned int bins, const Eigen::MatrixXd& discretization_information);
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102 std::vector<int> labels_;
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108
109 };
110 }
111}
112
113#endif // CLASSIFICATION
Definition: constants.h:13
ClassificationValidation * validation
virtual void operator=(ClassificationModel &m)
ClassificationModel(const QSARData &q)
void equalSpaceDiscretization(unsigned int bins, Eigen::MatrixXd &discretization_information)
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 > getClassLabels()
#define BALL_EXPORT
Definition: COMMON/global.h:50