Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Gaussian_Move_Set< Conformation > Class Template Reference

Gaussian Move Set. More...

#include <Gaussian_move_set.hpp>

Classes

struct  Parameters
 

Public Types

typedef std::vector< double > Data_Type
 
typedef double Float_Type
 
typedef Gaussian_Move_Params Move_Params
 
typedef Gaussian_Move_Stats Move_Stats
 

Public Member Functions

 T_Gaussian_Move_Set ()=default
 
 T_Gaussian_Move_Set (auto *physical_system, Parameters params)
 
template<class Physical_System >
std::pair< double, Gaussian_Move_Statsgenerate_conformation (Conformation *const startingConf, Conformation *const newConformation, Move_Params &move_params, Physical_System *physical_system)
 
double get_move_probability (Conformation *const start, Conformation *const end, Move_Params &move_params, auto *physical_system)
 

Public Attributes

int dimension
 
int reduced_dimension
 
std::vector< int > coordinates_map
 
std::vector< int > coords_to_remove
 
std::mt19937 rng
 

Detailed Description

template<class Conformation>
class SBL::GT::T_Gaussian_Move_Set< Conformation >

Gaussian Move Set.


Class Documentation

◆ SBL::GT::T_Gaussian_Move_Set::Parameters

struct SBL::GT::T_Gaussian_Move_Set::Parameters

template<class Conformation>
struct SBL::GT::T_Gaussian_Move_Set< Conformation >::Parameters

Class Members
vector< int > coords_to_remove

Member Typedef Documentation

◆ Data_Type

typedef std::vector<double> Data_Type

◆ Float_Type

typedef double Float_Type

◆ Move_Params

◆ Move_Stats

Constructor & Destructor Documentation

◆ T_Gaussian_Move_Set() [1/2]

T_Gaussian_Move_Set ( )
default

◆ T_Gaussian_Move_Set() [2/2]

T_Gaussian_Move_Set ( auto *  physical_system,
Parameters  params 
)
inline

Member Function Documentation

◆ generate_conformation()

std::pair<double,Gaussian_Move_Stats> generate_conformation ( Conformation *const  startingConf,
Conformation *const  newConformation,
Move_Params move_params,
Physical_System physical_system 
)
inline

◆ get_move_probability()

double get_move_probability ( Conformation *const  start,
Conformation *const  end,
Move_Params move_params,
auto *  physical_system 
)
inline

Member Data Documentation

◆ coordinates_map

std::vector<int> coordinates_map

◆ coords_to_remove

std::vector<int> coords_to_remove

◆ dimension

int dimension

◆ reduced_dimension

int reduced_dimension

◆ rng

std::mt19937 rng