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

No overstep cone move set. More...

#include <No_overstep_cone_move_set.hpp>

Classes

struct  Parameters
 

Public Types

typedef std::vector< double > Data_Type
 
typedef double Float_Type
 
typedef No_Overstep_Cone_Move_Params Move_Params
 
typedef No_Overstep_Cone_Move_Stats Move_Stats
 

Public Member Functions

 T_No_Overstep_Cone_Move_Set ()=default
 
 T_No_Overstep_Cone_Move_Set (auto *physical_system, Parameters params)
 
template<class Physical_System >
std::pair< double, No_Overstep_Cone_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)
 
void set_dimension (unsigned int dim)
 
unsigned int get_dimension ()
 
void generate_direction_sphere ()
 
void generate_direction_cone (Cone_Distribution< double * > &cone, double *grad)
 
void generate_direction (Conformation *const conf, Move_Params &move_params)
 
bool is_direction_in_cone (const Data_Type &cone_dir, double cone_angle)
 
double get_proba_of_direction (Conformation *const conf, Move_Params &move_params)
 

Public Attributes

double proba_last_move = 0
 
double dist_last_move = 0
 
double proba_sphere = 1
 
double proba_cone = 1 - proba_sphere
 
bool used_cone = false
 
Conformationinternal_conf
 
std::vector< Float_Typeinternal_pos
 
std::vector< Float_Typedirection
 
std::vector< double > reduced_direction
 
std::vector< double > reduced_grad
 
std::vector< int > coords_to_remove
 

Detailed Description

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

No overstep cone move set.


Class Documentation

◆ SBL::GT::T_No_Overstep_Cone_Move_Set::Parameters

struct SBL::GT::T_No_Overstep_Cone_Move_Set::Parameters

template<class Conformation>
struct SBL::GT::T_No_Overstep_Cone_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_No_Overstep_Cone_Move_Set() [1/2]

◆ T_No_Overstep_Cone_Move_Set() [2/2]

T_No_Overstep_Cone_Move_Set ( auto *  physical_system,
Parameters  params 
)
inline

Member Function Documentation

◆ generate_conformation()

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

◆ generate_direction()

void generate_direction ( Conformation *const  conf,
Move_Params move_params 
)
inline

◆ generate_direction_cone()

void generate_direction_cone ( Cone_Distribution< double * > &  cone,
double *  grad 
)
inline

◆ generate_direction_sphere()

void generate_direction_sphere ( )
inline

◆ get_dimension()

unsigned int get_dimension ( )
inline

◆ get_move_probability()

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

◆ get_proba_of_direction()

double get_proba_of_direction ( Conformation *const  conf,
Move_Params move_params 
)
inline

◆ is_direction_in_cone()

bool is_direction_in_cone ( const Data_Type cone_dir,
double  cone_angle 
)
inline

◆ set_dimension()

void set_dimension ( unsigned int  dim)
inline

Member Data Documentation

◆ coords_to_remove

std::vector<int> coords_to_remove

◆ direction

std::vector<Float_Type> direction

◆ dist_last_move

double dist_last_move = 0

◆ internal_conf

Conformation* internal_conf

◆ internal_pos

std::vector<Float_Type> internal_pos

◆ proba_cone

double proba_cone = 1 - proba_sphere

◆ proba_last_move

double proba_last_move = 0

◆ proba_sphere

double proba_sphere = 1

◆ reduced_direction

std::vector<double> reduced_direction

◆ reduced_grad

std::vector<double> reduced_grad

◆ used_cone

bool used_cone = false