BALL::QSAR::OPLSModel Class Reference

#include <BALL/QSAR/oplsModel.h>

Inheritance diagram for BALL::QSAR::OPLSModel:

[legend]

List of all members.

Public Member Functions
Constructors and Destructors
	OPLSModel (const QSARData &q)
	~OPLSModel ()
Accessors
void	train ()
const Matrix< double > *	getWOrtho ()
const Matrix< double > *	getTOrtho ()
int	getNoOrthoComponents ()
void	setNoOrthoComponents (int d)
bool	optimizeParameters (int k, int no_steps)
void	setParameters (vector< double > &v)
vector< double >	getParameters () const
Private Attributes
Attributes
Matrix< double >	T_ortho_
Matrix< double >	W_ortho_
int	no_ortho_components_

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Detailed Description

Definition at line 39 of file oplsModel.h.

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Constructor & Destructor Documentation

BALL::QSAR::OPLSModel::OPLSModel

(

const QSARData &

q

)

BALL::QSAR::OPLSModel::~OPLSModel

(

)

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Member Function Documentation

int BALL::QSAR::OPLSModel::getNoOrthoComponents

(

)

vector<double> BALL::QSAR::OPLSModel::getParameters

(

)

const [virtual]

Reimplemented from BALL::QSAR::PLSModel.

const Matrix<double>* BALL::QSAR::OPLSModel::getTOrtho

(

)

const Matrix<double>* BALL::QSAR::OPLSModel::getWOrtho

(

)

bool BALL::QSAR::OPLSModel::optimizeParameters	(	int	k,
		int	no_steps
	)			[virtual]

Tries to find the optimal number of PLS components (latente variables) for the current data of this model

Reimplemented from BALL::QSAR::PLSModel.

void BALL::QSAR::OPLSModel::setNoOrthoComponents

(

int

d

)

void BALL::QSAR::OPLSModel::setParameters

(

vector< double > &

)

[virtual]

sets the model parameters according to the given values.

Reimplemented from BALL::QSAR::PLSModel.

void BALL::QSAR::OPLSModel::train

(

)

[virtual]

Starts orthogonal partial least squares regression.
In order to find the optimal number of latente variables for the current data of this model, run findNoLatenteVariables() first.

Reimplemented from BALL::QSAR::PLSModel.

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Member Data Documentation

int BALL::QSAR::OPLSModel::no_ortho_components_ [private]

Definition at line 82 of file oplsModel.h.

Matrix<double> BALL::QSAR::OPLSModel::T_ortho_ [private]

Definition at line 79 of file oplsModel.h.

Matrix<double> BALL::QSAR::OPLSModel::W_ortho_ [private]

Definition at line 80 of file oplsModel.h.