BALL  1.4.1
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Public Member Functions | Public Attributes | List of all members
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 66 of file configIO.h.

Constructor & Destructor Documentation

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

Member Data Documentation

String BALL::QSAR::ModelConfiguration::data_file

Definition at line 71 of file configIO.h.

String BALL::QSAR::ModelConfiguration::descriptor_source_model

Definition at line 73 of file configIO.h.

bool BALL::QSAR::ModelConfiguration::done

Definition at line 70 of file configIO.h.

int BALL::QSAR::ModelConfiguration::grid_search_recursions

Definition at line 83 of file configIO.h.

int BALL::QSAR::ModelConfiguration::grid_search_steps

Definition at line 82 of file configIO.h.

double BALL::QSAR::ModelConfiguration::grid_search_stepwidth

Definition at line 81 of file configIO.h.

int BALL::QSAR::ModelConfiguration::k_fold

Definition at line 79 of file configIO.h.

double BALL::QSAR::ModelConfiguration::kernel_par1

Definition at line 77 of file configIO.h.

double BALL::QSAR::ModelConfiguration::kernel_par2

Definition at line 78 of file configIO.h.

int BALL::QSAR::ModelConfiguration::kernel_type

Definition at line 76 of file configIO.h.

int BALL::QSAR::ModelConfiguration::model_no

Definition at line 75 of file configIO.h.

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

Definition at line 74 of file configIO.h.

bool BALL::QSAR::ModelConfiguration::no_training

Definition at line 85 of file configIO.h.

bool BALL::QSAR::ModelConfiguration::optimize_model_parameters

Definition at line 80 of file configIO.h.

String BALL::QSAR::ModelConfiguration::output

Definition at line 72 of file configIO.h.

bool BALL::QSAR::ModelConfiguration::within_section

Definition at line 84 of file configIO.h.