Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_WL_Data_Structure_Internal< Conformation, Bin_properties, DS_snapshot_ >::Initial_Parameters Class Reference

#include <WL_data_structure_internal.hpp>

Public Types

enum class  Flat_Histogram_Policy { Fixed_Rate , Polynomial_Rate , Exponential_Rate , Custom }
 
enum class  One_Over_t_Policy { Original_WL , One_Over_t_Switch , One_Over_t_Deterministic }
 

Public Attributes

std::list< Bin_energy_rangeinitial_bins
 
bool energy_levels_continuous = true
 
bool accept_new_bins = true
 
double new_bins_size = 1
 
int density_updater_type = 2
 
double learning_rate = -1
 
double gamma_0 = 1
 
double flat_histogram_threshold = 0.1
 
Flat_Histogram_Policy flat_histogram_policy = Flat_Histogram_Policy::Fixed_Rate
 
std::function< double(int, double, int)> custom_threshold
 
double histogram_rate
 
int histo_check_frequency = 1000
 
One_Over_t_Policy one_over_t_algo = One_Over_t_Policy::One_Over_t_Switch
 
bool save_events = false
 

Member Enumeration Documentation

◆ Flat_Histogram_Policy

enum Flat_Histogram_Policy
strong
Enumerator
Fixed_Rate 
Polynomial_Rate 
Exponential_Rate 
Custom 

◆ One_Over_t_Policy

enum One_Over_t_Policy
strong
Enumerator
Original_WL 
One_Over_t_Switch 
One_Over_t_Deterministic 

Member Data Documentation

◆ accept_new_bins

bool accept_new_bins = true

◆ custom_threshold

std::function<double(int,double,int)> custom_threshold

◆ density_updater_type

int density_updater_type = 2

◆ energy_levels_continuous

bool energy_levels_continuous = true

◆ flat_histogram_policy

◆ flat_histogram_threshold

double flat_histogram_threshold = 0.1

◆ gamma_0

double gamma_0 = 1

◆ histo_check_frequency

int histo_check_frequency = 1000

◆ histogram_rate

double histogram_rate

◆ initial_bins

std::list<Bin_energy_range> initial_bins

◆ learning_rate

double learning_rate = -1

◆ new_bins_size

double new_bins_size = 1

◆ one_over_t_algo

◆ save_events

bool save_events = false