BALL::QSAR::ModelConfiguration Struct Reference

#include <BALL/QSAR/configIO.h>

Public Member Functions
	ModelConfiguration ()

Public Attributes
bool	done
String	data_file
String	output
String	descriptor_source_model
vector< double >	model_parameters
int	model_no
int	kernel_type
double	kernel_par1
double	kernel_par2
int	k_fold
bool	optimize_model_parameters
double	grid_search_stepwidth
int	grid_search_steps
int	grid_search_recursions
bool	within_section
bool	no_training

Detailed Description

Definition at line 54 of file configIO.h.

Constructor & Destructor Documentation

BALL::QSAR::ModelConfiguration::ModelConfiguration

(

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Member Data Documentation

String BALL::QSAR::ModelConfiguration::data_file

Definition at line 59 of file configIO.h.

String BALL::QSAR::ModelConfiguration::descriptor_source_model

Definition at line 61 of file configIO.h.

bool BALL::QSAR::ModelConfiguration::done

Definition at line 58 of file configIO.h.

int BALL::QSAR::ModelConfiguration::grid_search_recursions

Definition at line 71 of file configIO.h.

int BALL::QSAR::ModelConfiguration::grid_search_steps

Definition at line 70 of file configIO.h.

double BALL::QSAR::ModelConfiguration::grid_search_stepwidth

Definition at line 69 of file configIO.h.

int BALL::QSAR::ModelConfiguration::k_fold

Definition at line 67 of file configIO.h.

double BALL::QSAR::ModelConfiguration::kernel_par1

Definition at line 65 of file configIO.h.

double BALL::QSAR::ModelConfiguration::kernel_par2

Definition at line 66 of file configIO.h.

int BALL::QSAR::ModelConfiguration::kernel_type

Definition at line 64 of file configIO.h.

int BALL::QSAR::ModelConfiguration::model_no

Definition at line 63 of file configIO.h.

vector<double> BALL::QSAR::ModelConfiguration::model_parameters

Definition at line 62 of file configIO.h.

bool BALL::QSAR::ModelConfiguration::no_training

Definition at line 73 of file configIO.h.

bool BALL::QSAR::ModelConfiguration::optimize_model_parameters

Definition at line 68 of file configIO.h.

String BALL::QSAR::ModelConfiguration::output

Definition at line 60 of file configIO.h.

bool BALL::QSAR::ModelConfiguration::within_section

Definition at line 72 of file configIO.h.