BALL::QSAR::OPLSModel Class Reference

#include <BALL/QSAR/oplsModel.h>

Inheritance diagram for BALL::QSAR::OPLSModel:
BALL::QSAR::PLSModel BALL::QSAR::LinearModel BALL::QSAR::LatentVariableModel BALL::QSAR::RegressionModel BALL::QSAR::Model

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< doublegetParameters () const

Private Attributes

Attributes
Matrix< doubleT_ortho_
Matrix< doubleW_ortho_
int no_ortho_components_

Detailed Description

Definition at line 39 of file oplsModel.h.


Constructor & Destructor Documentation

BALL::QSAR::OPLSModel::OPLSModel ( const QSARData q  ) 
BALL::QSAR::OPLSModel::~OPLSModel (  ) 

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.


Member Data Documentation

Definition at line 82 of file oplsModel.h.

Definition at line 79 of file oplsModel.h.

Definition at line 80 of file oplsModel.h.


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