BALL
1.4.79
Main Page
Related Pages
Modules
Namespaces
Classes
Files
File List
File Members
All
Classes
Namespaces
Files
Functions
Variables
Typedefs
Enumerations
Enumerator
Properties
Friends
Macros
Groups
Pages
include
BALL
QSAR
automaticModelCreator.h
Go to the documentation of this file.
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
{
12
class
BALL_EXPORT
AutomaticModelCreator
13
{
14
public
:
15
16
AutomaticModelCreator
(
const
QSARData
* data);
17
22
Model
* generateModel();
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
Model.h
QSARData.h
global.h
BALL::QSAR::Model
Definition:
Model.h:34
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::QSAR::QSARData
Definition:
QSARData.h:55
BALL::QSAR::AutomaticModelCreator
Definition:
automaticModelCreator.h:12
Generated by
1.8.7