BALL::QSAR::LibsvmModel Class Reference

#include <BALL/QSAR/libsvmModel.h>

Inheritance diagram for BALL::QSAR::LibsvmModel:

Classes
struct	svm_model

Public Member Functions
Constructors and Destructors
	LibsvmModel (const QSARData &q, int k_type, double p1, double p2=-1)
virtual	~LibsvmModel ()
Accessors
void	train ()
void	setParameters (vector< double > &v)
virtual vector< double >	getParameters () const
Public Member Functions inherited from BALL::QSAR::SVRModel
	SVRModel (const QSARData &q, int k_type, double p1, double p2)
	~SVRModel ()
Public Member Functions inherited from BALL::QSAR::KernelModel
	KernelModel (const QSARData &q, int k_type, double p1, double p2)
	KernelModel (const QSARData &q, String f, String g)
	KernelModel (const QSARData &q, Vector< double > &w)
	KernelModel (const QSARData &q, const LinearModel &lm, int column)
	~KernelModel ()
virtual void	saveToFile (string filename)
virtual void	readFromFile (string filename)
virtual Vector< double >	predict (const vector< double > &substance, bool transform)
void	operator= (const Model &m)
Public Member Functions inherited from BALL::QSAR::NonLinearModel
	NonLinearModel (const QSARData &q)
	~NonLinearModel ()

Private Member Functions
struct svm_problem *	createProblem (int response_id)
void	createParameters ()

Private Attributes
struct svm_model *	svm_train_result_
struct svm_parameter	parameters_
struct svm_node *	x_space_
bool	use_nu_
bool	use_shrinking_
double	nu_
double	p_
double	eps_
double	C_

Additional Inherited Members
Public Attributes inherited from BALL::QSAR::KernelModel
Kernel *	kernel
Public Attributes inherited from BALL::QSAR::RegressionModel
RegressionValidation *	validation
Public Attributes inherited from BALL::QSAR::Model
const QSARData *	data
Validation *	model_val
Protected Member Functions inherited from BALL::QSAR::KernelModel
void	calculateOffsets ()
void	readKernelParametersFromFile (std::ifstream &in)
void	saveKernelParametersToFile (std::ofstream &out)
void	saveTrainingResult (std::ofstream &out)
void	readTrainingResult (std::ifstream &input, int no_substances, int no_y)
Protected Member Functions inherited from BALL::QSAR::NonLinearModel
Protected Member Functions inherited from BALL::QSAR::RegressionModel
void	readDescriptorInformationFromFile (std::ifstream &in, int no_descriptors, bool transformation, int no_coefficients)
void	saveDescriptorInformationToFile (std::ofstream &out)
Protected Attributes inherited from BALL::QSAR::KernelModel
Matrix< double >	K_
Protected Attributes inherited from BALL::QSAR::RegressionModel
BALL::Matrix< double >	training_result_
Vector< double >	offsets_
Friends inherited from BALL::QSAR::KernelModel

Detailed Description

Definition at line 41 of file libsvmModel.h.

Constructor & Destructor Documentation

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

virtual BALL::QSAR::LibsvmModel::~LibsvmModel ( )

virtual

Member Function Documentation

void BALL::QSAR::LibsvmModel::createParameters ( )

private

struct svm_problem* BALL::QSAR::LibsvmModel::createProblem ( int  response_id )

readprivate

virtual vector<double> BALL::QSAR::LibsvmModel::getParameters ( ) const

virtual

Reimplemented from BALL::QSAR::Model.

void BALL::QSAR::LibsvmModel::setParameters ( vector< double > &  )

virtual

sets the model parameters according to the given values.

Reimplemented from BALL::QSAR::Model.

void BALL::QSAR::LibsvmModel::train ( )

virtual

Starts training the model.

Implements BALL::QSAR::Model.

Member Data Documentation

double BALL::QSAR::LibsvmModel::C_

private

Definition at line 108 of file libsvmModel.h.

double BALL::QSAR::LibsvmModel::eps_

private

Definition at line 107 of file libsvmModel.h.

double BALL::QSAR::LibsvmModel::nu_

private

Definition at line 105 of file libsvmModel.h.

double BALL::QSAR::LibsvmModel::p_

private

Definition at line 106 of file libsvmModel.h.

struct svm_parameter BALL::QSAR::LibsvmModel::parameters_

private

Definition at line 95 of file libsvmModel.h.

struct svm_model* BALL::QSAR::LibsvmModel::svm_train_result_

private

Definition at line 93 of file libsvmModel.h.

bool BALL::QSAR::LibsvmModel::use_nu_

private

determines whether nu-SVR is to be used; else eps-SVR is applied

Definition at line 100 of file libsvmModel.h.

bool BALL::QSAR::LibsvmModel::use_shrinking_

private

determines whether the libsvm shrinking heuristics is to be used

Definition at line 103 of file libsvmModel.h.

struct svm_node* BALL::QSAR::LibsvmModel::x_space_

private

Definition at line 97 of file libsvmModel.h.