BALL::QSAR::KPLSModel Class Reference

#include <BALL/QSAR/kplsModel.h>

Inheritance diagram for BALL::QSAR::KPLSModel:

[legend]

List of all members.

Public Member Functions
Constructors and Destructors
	KPLSModel (const QSARData &q, int k_type, double p1, double p2=-1)
	KPLSModel (const QSARData &q, Vector< double > &w)
	KPLSModel (const QSARData &q, String s1, String s2)
	KPLSModel (const QSARData &q, const LinearModel &lm, int column)
	~KPLSModel ()
Accessors
void	train ()
bool	optimizeParameters (int k, int no_steps)
int	getNoComponents ()
void	setNoComponents (int d)
const Matrix< double > *	getU ()
void	setParameters (vector< double > &v)
vector< double >	getParameters () const
Protected Attributes
Attributes
Matrix< double >	U_
int	no_components_

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Detailed Description

kernel partial-least-squares class

Definition at line 44 of file kplsModel.h.

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Constructor & Destructor Documentation

BALL::QSAR::KPLSModel::KPLSModel	(	const QSARData &	q,
		int	k_type,
		double	p1,
		double	p2 = -1
	)

BALL::QSAR::KPLSModel::KPLSModel	(	const QSARData &	q,
		Vector< double > &	w
	)

BALL::QSAR::KPLSModel::KPLSModel	(	const QSARData &	q,
		String	s1,
		String	s2
	)

BALL::QSAR::KPLSModel::KPLSModel	(	const QSARData &	q,
		const LinearModel &	lm,
		int	column
	)

BALL::QSAR::KPLSModel::~KPLSModel

(

)

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Member Function Documentation

int BALL::QSAR::KPLSModel::getNoComponents

(

)

returns the number of latente variables (=PLS components)

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

(

)

const [virtual]

Reimplemented from BALL::QSAR::Model.

const Matrix<double>* BALL::QSAR::KPLSModel::getU

(

)

returns a pointer to the PLS Y-scores matrix U

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

tries to find the optimal number of latente variables (=PLS components)

Reimplemented from BALL::QSAR::Model.

void BALL::QSAR::KPLSModel::setNoComponents

(

int

d

)

void BALL::QSAR::KPLSModel::setParameters

(

vector< double > &

)

[virtual]

sets the model parameters according to the given values.

Reimplemented from BALL::QSAR::Model.

void BALL::QSAR::KPLSModel::train

(

)

[virtual]

Starts training the model.

Implements BALL::QSAR::Model.

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Member Data Documentation

int BALL::QSAR::KPLSModel::no_components_ [protected]

Definition at line 90 of file kplsModel.h.

Matrix<double> BALL::QSAR::KPLSModel::U_ [protected]

Definition at line 88 of file kplsModel.h.