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Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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#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 |
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)
Physical_System | |
Move_set_Traits |
using WL = T_Wang_Landau<Physical_System,Move_Set_Traits> |
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inline |
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inline |
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inlinevirtual |
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pure virtual |
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pure virtual |
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pure virtual |
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inlinevirtual |
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inlinevirtual |
WL_Simulation_Parameters params |