BALL  1.5.0
logitModel.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 //
5 
6 #ifndef LOGITMODEL
7 #define LOGITMODEL
8 
9 #ifndef CLASSIFICATION
11 #endif
12 
13 
14 
15 namespace BALL{
16  namespace QSAR {
17 
20  {
21  public:
25  LogitModel(const QSARData& q);
26 
27  ~LogitModel();
28 
29  EIGEN_MAKE_ALIGNED_OPERATOR_NEW
31 
32 
36  void train();
37 
38  Eigen::VectorXd predict(const vector<double>& substance, bool transform);
39 
40  void saveToFile(string filename);
41 
42  void readFromFile(string filename);
44 
45 
46  protected:
50  Eigen::MatrixXd training_result_;
52 
53  };
54  }
55 }
56 
57 #endif // LOGITMODEL
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::QSAR::LogitModel
Definition: logitModel.h:19
BALL
Definition: constants.h:12
BALL::QSAR::LogitModel::training_result_
Eigen::MatrixXd training_result_
Definition: logitModel.h:50
BALL::QSAR::QSARData
Definition: QSARData.h:55
classificationModel.h
BALL::QSAR::ClassificationModel
Definition: classificationModel.h:26