BALL  1.5.0
kpcrModel.h
Go to the documentation of this file.
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
10 #include <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 
21 namespace 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
BALL::QSAR::KPCRModel::~KPCRModel
~KPCRModel()
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
kernelModel.h
nonlinearModel.h
BALL::QSAR::KPCRModel::getParameters
vector< double > getParameters() const
BALL::QSAR::KPCRModel
Definition: kpcrModel.h:27
BALL::QSAR::LatentVariableModel
Definition: latentVariableModel.h:20
BALL::String
Definition: string.h:57
BALL
Definition: constants.h:13
BALL::QSAR::QSARData
Definition: QSARData.h:56
pcrModel.h
BALL::QSAR::KPCRModel::train
void train()
BALL::QSAR::KPCRModel::KPCRModel
KPCRModel(const QSARData &q, Eigen::VectorXd &w)
BALL::QSAR::KPCRModel::setParameters
void setParameters(vector< double > &v)
BALL::QSAR::KPCRModel::setFracVar
void setFracVar(double frac_var)
BALL::QSAR::LinearModel
Definition: linearModel.h:18
BALL::QSAR::KPCRModel::KPCRModel
KPCRModel(const QSARData &q, int k_type, double p1, double p2=-1)
BALL::QSAR::KPCRModel::KPCRModel
KPCRModel(const QSARData &q, String s1, String s2)
BALL::QSAR::KPCRModel::KPCRModel
KPCRModel(const QSARData &q, const LinearModel &lm, int column)
BALL::QSAR::KernelModel
Definition: kernelModel.h:28