#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

◆ ModelConfiguration()

BALL::QSAR::ModelConfiguration::ModelConfiguration ( )

Member Data Documentation

◆ data_file

String BALL::QSAR::ModelConfiguration::data_file

Definition at line 59 of file configIO.h.

◆ descriptor_source_model

String BALL::QSAR::ModelConfiguration::descriptor_source_model

Definition at line 61 of file configIO.h.

◆ done

bool BALL::QSAR::ModelConfiguration::done

Definition at line 58 of file configIO.h.

◆ grid_search_recursions

int BALL::QSAR::ModelConfiguration::grid_search_recursions

Definition at line 71 of file configIO.h.

◆ grid_search_steps

int BALL::QSAR::ModelConfiguration::grid_search_steps

Definition at line 70 of file configIO.h.

◆ grid_search_stepwidth

double BALL::QSAR::ModelConfiguration::grid_search_stepwidth

Definition at line 69 of file configIO.h.

◆ k_fold

int BALL::QSAR::ModelConfiguration::k_fold

Definition at line 67 of file configIO.h.

◆ kernel_par1

double BALL::QSAR::ModelConfiguration::kernel_par1

Definition at line 65 of file configIO.h.

◆ kernel_par2

double BALL::QSAR::ModelConfiguration::kernel_par2

Definition at line 66 of file configIO.h.

◆ kernel_type

int BALL::QSAR::ModelConfiguration::kernel_type

Definition at line 64 of file configIO.h.

◆ model_no

int BALL::QSAR::ModelConfiguration::model_no

Definition at line 63 of file configIO.h.

◆ model_parameters

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

Definition at line 62 of file configIO.h.

◆ no_training

bool BALL::QSAR::ModelConfiguration::no_training

Definition at line 73 of file configIO.h.

◆ optimize_model_parameters

bool BALL::QSAR::ModelConfiguration::optimize_model_parameters

Definition at line 68 of file configIO.h.

◆ output

String BALL::QSAR::ModelConfiguration::output

Definition at line 60 of file configIO.h.

◆ within_section

bool BALL::QSAR::ModelConfiguration::within_section

Definition at line 72 of file configIO.h.

Public Member Functions

Public Attributes