Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_WL_Simulation< Physical_System, Move_Set_Traits > Class Template Referenceabstract

#include <WL_simulation.hpp>

Public Types

using WL = T_Wang_Landau< Physical_System, Move_Set_Traits >

Public Member Functions

 T_WL_Simulation (WL_Simulation_Parameters params_)
virtual WL::Parameters set_WL_general_parameters ()
virtual WL::WL_DS_Parameters set_WL_DS_parameters ()
virtual WL::Physical_systems_parameters set_physical_system_parameters ()=0
virtual void save_results (WL &WL_instance)
virtual WL::MS_controllers_parameters set_ms_controller_params ()=0
virtual WL::Move_Set_Parameters set_move_set_params ()=0
void run (uint64_t num_steps)

Public Attributes

WL_Simulation_Parameters params

Detailed Description

template<class Physical_System, class Move_Set_Traits>
class SBL::GT::T_WL_Simulation< Physical_System, Move_Set_Traits >

This class set most of the Wang Landau simulation for the isotrop energy well physical system However the move set is a template parameter and the functions that set the parameters for the move set are left virtual Therefore this class must be specialized for each move set (see below)

Template Parameters

Member Typedef Documentation

◆ WL

using WL = T_Wang_Landau<Physical_System,Move_Set_Traits>

Constructor & Destructor Documentation

◆ T_WL_Simulation()

Member Function Documentation

◆ run()

void run ( uint64_t  num_steps)

◆ save_results()

virtual void save_results ( WL WL_instance)

◆ set_move_set_params()

◆ set_ms_controller_params()

◆ set_physical_system_parameters()

virtual WL::Physical_systems_parameters set_physical_system_parameters ( )
pure virtual

◆ set_WL_DS_parameters()

virtual WL::WL_DS_Parameters set_WL_DS_parameters ( )

◆ set_WL_general_parameters()

virtual WL::Parameters set_WL_general_parameters ( )

Member Data Documentation

◆ params