BALL 1.5.0
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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< doublemodel_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.