BALL 1.5.0
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kpcrModel.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4//
5
6#ifndef BALL_QSAR_KPCRMODEL_H
7#define BALL_QSAR_KPCRMODEL_H
8
9#ifndef BALL_QSAR_KERNELMODEL_H
11#endif
12
13#ifndef BALL_QSAR_PCRMODEL_H
14#include <BALL/QSAR/pcrModel.h>
15#endif
16
17#ifndef BALL_QSAR_NONLINEARMODEL_H
19#endif
20
21namespace BALL
22{
23 namespace QSAR
24 {
27 {
28 public:
32 KPCRModel(const QSARData& q, int k_type, double p1, double p2=-1);
33
34 KPCRModel(const QSARData& q, Eigen::VectorXd& w);
35
36 KPCRModel(const QSARData& q, String s1, String s2);
37
38 KPCRModel(const QSARData& q, const LinearModel& lm, int column);
39
42
43
48 void setFracVar(double frac_var);
49
50 void train();
51
52 void setParameters(vector<double>& v);
53
54 vector<double> getParameters() const;
56
57
58 private:
59
60 double frac_var_;
61 };
62 }
63}
64
65#endif //KPCRMODEL
vector< double > getParameters() const
KPCRModel(const QSARData &q, const LinearModel &lm, int column)
void setFracVar(double frac_var)
KPCRModel(const QSARData &q, int k_type, double p1, double p2=-1)
KPCRModel(const QSARData &q, Eigen::VectorXd &w)
void setParameters(vector< double > &v)
KPCRModel(const QSARData &q, String s1, String s2)
#define BALL_EXPORT