BALL  1.5.0
automaticModelCreator.h
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1 #include <BALL/COMMON/global.h>
2 #include <BALL/QSAR/Model.h>
3 #include <BALL/QSAR/QSARData.h>
4 
5 namespace BALL
6 {
7  namespace QSAR
8  {
13  {
14  public:
15 
17 
23 
24  void setData(const QSARData* data);
25 
26  void setMinQuality(double min_quality);
27 
28  private:
29 
30  void optimizeParameters(Model* model);
31 
32  void selectFeatures(Model* model);
33 
34  const QSARData* data_;
35 
36  double min_quality_;
37  };
38 
39  }
40 }
41 
BALL::QSAR::AutomaticModelCreator
Definition: automaticModelCreator.h:13
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
global.h
BALL::QSAR::AutomaticModelCreator::setMinQuality
void setMinQuality(double min_quality)
BALL::QSAR::AutomaticModelCreator::setData
void setData(const QSARData *data)
BALL::QSAR::AutomaticModelCreator::generateModel
Model * generateModel()
Model.h
BALL
Definition: constants.h:13
BALL::QSAR::QSARData
Definition: QSARData.h:56
QSARData.h
BALL::QSAR::Model
Definition: Model.h:35
BALL::QSAR::AutomaticModelCreator::AutomaticModelCreator
AutomaticModelCreator(const QSARData *data)