BALL::QSAR::Registry Class Reference

#include <BALL/QSAR/registry.h>

Public Member Functions
	Registry ()
	~Registry ()
void	addEntry (RegistryEntry entry, int uniqueID)
RegistryEntry *	getEntry (String model_name)
RegistryEntry *	getEntry (int ID)
int	getModelNo (String model_name)
String	getClassificationStatisticName (unsigned int no)
String	getRegressionStatisticName (unsigned int no)
String	getFeatureSelectionName (unsigned int no)
String	getValidationName (unsigned int no)
const std::map< unsigned int, String > *	getClassificationStatistics ()
const std::map< unsigned int, String > *	getRegressionStatistics ()
RegistryEntryIterator	beginEntry ()
RegistryEntryIterator	endEntry ()

Public Attributes
double	default_kernel_par1
double	default_kernel_par2
double	default_rbf_par
int	default_k
int	default_no_permutations
int	default_no_boostrap_samples
double	default_valdition_fraction
int	default_nested_folds
double	default_correlation_cutoff
double	default_gridsearch_stepwidth
int	default_gridsearch_recursion
int	default_gridsearch_steps
double	default_gridsearch_par1_start
double	default_gridsearch_par2_start

Friends
class	RegistryEntry

Detailed Description

Definition at line 72 of file registry.h.

Constructor & Destructor Documentation

BALL::QSAR::Registry::Registry

(

)

BALL::QSAR::Registry::~Registry

(

)

Member Function Documentation

void BALL::QSAR::Registry::addEntry	(	RegistryEntry	entry,
		int	uniqueID
	)

RegistryEntryIterator BALL::QSAR::Registry::beginEntry

(

)

returns an iterator to the first model in model_map

RegistryEntryIterator BALL::QSAR::Registry::endEntry

(

)

returns an iterator past the last model of model_map

String BALL::QSAR::Registry::getClassificationStatisticName

(

unsigned int

no

)

const std::map<unsigned int,String>* BALL::QSAR::Registry::getClassificationStatistics

(

)

RegistryEntry* BALL::QSAR::Registry::getEntry

(

String

model_name

)

returns the RegistryEntry for a given model name

RegistryEntry* BALL::QSAR::Registry::getEntry

(

int

ID

)

returns the RegistryEntry for a given model ID

String BALL::QSAR::Registry::getFeatureSelectionName

(

unsigned int

no

)

int BALL::QSAR::Registry::getModelNo

(

String

model_name

)

return the ID of a specified model

String BALL::QSAR::Registry::getRegressionStatisticName

(

unsigned int

no

)

const std::map<unsigned int,String>* BALL::QSAR::Registry::getRegressionStatistics

(

)

String BALL::QSAR::Registry::getValidationName

(

unsigned int

no

)

Friends And Related Function Documentation

friend class RegistryEntry

friend

Definition at line 148 of file registry.h.

Member Data Documentation

double BALL::QSAR::Registry::default_correlation_cutoff

the default value for the absolute value of the correlation coefficient for removing of nearly colinear features

Definition at line 104 of file registry.h.

double BALL::QSAR::Registry::default_gridsearch_par1_start

Definition at line 109 of file registry.h.

double BALL::QSAR::Registry::default_gridsearch_par2_start

Definition at line 110 of file registry.h.

int BALL::QSAR::Registry::default_gridsearch_recursion

Definition at line 107 of file registry.h.

int BALL::QSAR::Registry::default_gridsearch_steps

Definition at line 108 of file registry.h.

double BALL::QSAR::Registry::default_gridsearch_stepwidth

Definition at line 106 of file registry.h.

int BALL::QSAR::Registry::default_k

default value for k-fold cross validation

Definition at line 89 of file registry.h.

double BALL::QSAR::Registry::default_kernel_par1

default value for first parameter of non-rbf kernels

Definition at line 80 of file registry.h.

double BALL::QSAR::Registry::default_kernel_par2

default value for second parameter of non-rbf kernels

Definition at line 83 of file registry.h.

int BALL::QSAR::Registry::default_nested_folds

the default number of nested validation folds

Definition at line 101 of file registry.h.

int BALL::QSAR::Registry::default_no_boostrap_samples

the default number of boostrap samples

Definition at line 95 of file registry.h.

int BALL::QSAR::Registry::default_no_permutations

the default number of permutations to be done during response permutation testing

Definition at line 92 of file registry.h.

double BALL::QSAR::Registry::default_rbf_par

default value for parameter of rbf kernels

Definition at line 86 of file registry.h.

double BALL::QSAR::Registry::default_valdition_fraction

the default value for the fraction of the input data that should be set aside in case of external/nested validation

Definition at line 98 of file registry.h.