BALL::QSAR::KPLSModel Class Reference
#include <BALL/QSAR/kplsModel.h>
Inheritance diagram for BALL::QSAR::KPLSModel:
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_ |
Detailed Description
kernel partial-least-squares class
Definition at line 44 of file kplsModel.h.
Constructor & Destructor Documentation
| BALL::QSAR::KPLSModel::KPLSModel | ( | const QSARData & | q, | |
| const LinearModel & | lm, | |||
| int | column | |||
| ) |
| BALL::QSAR::KPLSModel::~KPLSModel | ( | ) |
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.
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.
