Inheritance diagram for BALL::QSAR::SVMModel:

Public Member Functions
Constructors and Destructors
	SVMModel (const QSARData &q)

virtual	~SVMModel ()

Public Member Functions inherited from BALL::QSAR::ClassificationModel
	ClassificationModel (const QSARData &q)

	~ClassificationModel ()

virtual void	operator= (ClassificationModel &m)

std::vector< int >	getClassLabels ()

Public Member Functions inherited from BALL::QSAR::Model
	Model (const QSARData &q)

virtual	~Model ()

virtual void	operator= (const Model &m)

void	copyData (const Model &m)

void	copyDescriptorIDs (const Model &m)

void	readTrainingData ()

virtual Vector< double >	predict (const vector< double > &substance, bool transform)=0

void	deleteDescriptorIDs ()

virtual void	train ()=0

virtual bool	optimizeParameters (int, int)

bool	optimizeParameters (int k)

virtual double	calculateStdErr ()

virtual void	setParameters (vector< double > &)

virtual vector< double >	getParameters () const

std::multiset< unsigned int > *	getDescriptorIDs ()

void	setDataSource (const QSARData *q)

virtual void	saveToFile (string filename)=0

virtual void	readFromFile (string filename)=0

const Matrix< double > *	getDescriptorMatrix ()

const vector< string > *	getSubstanceNames ()

const vector< string > *	getDescriptorNames ()

const Matrix< double > *	getY ()

void	setDescriptorIDs (const std::multiset< unsigned int > &sl)

const string *	getType ()

void	getUnnormalizedFeatureValue (int compound, int feature, double &return_value)

void	getUnnormalizedResponseValue (int compound, int response, double &return_value)

Additional Inherited Members
Public Attributes inherited from BALL::QSAR::ClassificationModel
ClassificationValidation *	validation

Public Attributes inherited from BALL::QSAR::Model
const QSARData *	data

Validation *	model_val

Protected Member Functions inherited from BALL::QSAR::ClassificationModel
void	readClassInformationFromFile (std::ifstream &input, int no_classes)

void	saveClassInformationToFile (std::ofstream &out)

void	readLabels ()

void	equalSpaceDiscretization (uint bins, BALL::Matrix< double > &discretization_information)

void	equalSpaceDiscretizationTestData (Vector< double > &compound, uint bins, const BALL::Matrix< double > &discretization_information)

Protected Attributes inherited from BALL::QSAR::ClassificationModel
std::vector< int >	labels_

std::vector< int >	no_substances_

void(ClassificationModel::*	discretizeFeatures )(uint bins, BALL::Matrix< double > &discretization_information)

void(ClassificationModel::*	discretizeTestDataFeatures )(Vector< double > &compound, uint bins, const BALL::Matrix< double > &discretization_information)

Protected Attributes inherited from BALL::QSAR::Model
int	default_no_opt_steps_

Matrix< double >	descriptor_matrix_

vector< string >	substance_names_

vector< string >	descriptor_names_

Matrix< double >	descriptor_transformations_

Matrix< double >	y_transformations_

Matrix< double >	Y_

String	type_

std::multiset< unsigned int >	descriptor_IDs_

Detailed Description

class for support vector classification

Definition at line 45 of file svmModel.h.

Constructor & Destructor Documentation

BALL::QSAR::SVMModel::SVMModel ( const QSARData & q )

virtual BALL::QSAR::SVMModel::~SVMModel ( )

virtual