Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
WL_Simulation_Parameters Struct Reference

#include <WL_simulation.hpp>

Public Member Functions

virtual void add_program_options (boost::program_options::options_description &desc)
 
std::string get_filename ()
 
auto get_folder ()
 

Public Attributes

uint64_t num_steps
 
int reduced_dimension
 
std::vector< int > coords_to_remove = {}
 
int use_cone = false
 
double proba_cone = 0.5
 
double proba_gaussian = 0.5
 
double gaussian_sigma = 1
 
int continuous_energy_levels = true
 
double new_bin_size = 0.1
 
int allow_bin_splitting = false
 
double gamma_0 = 1
 
int histo_check_frequency = 100
 
double flat_histogram_threshold = 0.2
 
std::string output_prefix = ""
 
std::string simulation_name = "WL_simulation"
 
std::string output_directory
 

Member Function Documentation

◆ add_program_options()

virtual void add_program_options ( boost::program_options::options_description &  desc)
inlinevirtual

◆ get_filename()

std::string get_filename ( )
inline

◆ get_folder()

auto get_folder ( )
inline

Member Data Documentation

◆ allow_bin_splitting

int allow_bin_splitting = false

◆ continuous_energy_levels

int continuous_energy_levels = true

◆ coords_to_remove

std::vector<int> coords_to_remove = {}

◆ flat_histogram_threshold

double flat_histogram_threshold = 0.2

◆ gamma_0

double gamma_0 = 1

◆ gaussian_sigma

double gaussian_sigma = 1

◆ histo_check_frequency

int histo_check_frequency = 100

◆ new_bin_size

double new_bin_size = 0.1

◆ num_steps

uint64_t num_steps

◆ output_directory

std::string output_directory

◆ output_prefix

std::string output_prefix = ""

◆ proba_cone

double proba_cone = 0.5

◆ proba_gaussian

double proba_gaussian = 0.5

◆ reduced_dimension

int reduced_dimension

◆ simulation_name

std::string simulation_name = "WL_simulation"

◆ use_cone

int use_cone = false