BALL
1.5.0
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include
BALL
QSAR
plsModel.h
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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//
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#ifndef PLSMODEL
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#define PLSMODEL
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#ifndef LMODEL
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#include <
BALL/QSAR/linearModel.h
>
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#endif
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#ifndef STATISTICS
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#include <
BALL/QSAR/statistics.h
>
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#endif
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#ifndef QSAR_EXCEPTION
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#include <
BALL/QSAR/exception.h
>
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#endif
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#include <
BALL/QSAR/latentVariableModel.h
>
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namespace
BALL
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{
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namespace
QSAR
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{
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class
BALL_EXPORT
PLSModel
:
public
LinearModel
,
public
LatentVariableModel
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{
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public
:
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PLSModel
(
const
QSARData
& q);
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~PLSModel
();
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EIGEN_MAKE_ALIGNED_OPERATOR_NEW
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virtual
void
train
();
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virtual
bool
optimizeParameters
(
int
k,
int
no_steps);
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void
setNoComponents
(
int
no);
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int
getNoComponents
();
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const
Eigen::MatrixXd*
getU
();
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void
setParameters
(vector<double>& v);
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vector<double>
getParameters
()
const
;
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protected
:
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Eigen::MatrixXd
U_
;
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int
no_components_
;
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};
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}
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}
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#endif
// PLSMODEL
statistics.h
linearModel.h
latentVariableModel.h
BALL
Definition
constants.h:13
BALL::QSAR::LatentVariableModel
Definition
latentVariableModel.h:20
BALL::QSAR::LinearModel
Definition
linearModel.h:18
BALL::QSAR::PLSModel
Definition
plsModel.h:29
BALL::QSAR::PLSModel::getU
const Eigen::MatrixXd * getU()
BALL::QSAR::PLSModel::optimizeParameters
virtual bool optimizeParameters(int k, int no_steps)
BALL::QSAR::PLSModel::setParameters
void setParameters(vector< double > &v)
BALL::QSAR::PLSModel::no_components_
int no_components_
Definition
plsModel.h:76
BALL::QSAR::PLSModel::U_
Eigen::MatrixXd U_
Definition
plsModel.h:74
BALL::QSAR::PLSModel::getNoComponents
int getNoComponents()
BALL::QSAR::PLSModel::setNoComponents
void setNoComponents(int no)
BALL::QSAR::PLSModel::train
virtual void train()
BALL::QSAR::PLSModel::PLSModel
PLSModel(const QSARData &q)
BALL::QSAR::PLSModel::getParameters
vector< double > getParameters() const
BALL::QSAR::PLSModel::~PLSModel
~PLSModel()
BALL::QSAR::QSARData
Definition
QSARData.h:56
exception.h
BALL_EXPORT
#define BALL_EXPORT
Definition
COMMON/global.h:50
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