T_Exploration_parameters_default< NumberType, Distance > Class Template Reference

Default representation of the parameters of the exploration algorithm. More...

#include <Exploration_parameters.hpp>

Classes
class	Is_lower_sample

Public Types
typedef NumberType	FT
typedef T_Exploration_parameters_default< FT, Distance >	Self
typedef SBL::IO::Loader_base	Base
typedef SBL::Models::T_Conformation_traits< typename std::remove_pointer< typename Distance::Point >::type >	Conformation_traits

Public Member Functions
boost::program_options::options_description	add_options (void) const
	Virtual method for adding options to the module. More...
bool	load (unsigned verbose, std::ostream &out)
	Loads the data. More...
bool	check_options (std::string &message) const
	Checks that the input options' values are coherent. More...
std::string	get_name (void) const
	Return the name of the class itself. More...
std::string	get_output_prefix (void) const
	Returns a prefix that concatains the input line options used when running the module. More...
template<class ExplorationAlgorithm >
void	update_after_selection (ExplorationAlgorithm &explorer, typename ExplorationAlgorithm::EL_sample_rep s)
template<class ExplorationAlgorithm >
void	update_after_insertion (ExplorationAlgorithm &explorer, typename ExplorationAlgorithm::EL_sample_rep s)
template<class ExplorationAlgorithm >
void	update_after_tuning (ExplorationAlgorithm &explorer, typename ExplorationAlgorithm::EL_sample_rep s)
template<class ExplorationAlgorithm >
const FT &	get_initial_temperature (ExplorationAlgorithm &explorer) const
template<class ExplorationAlgorithm >
const FT &	get_initial_displace_delta (ExplorationAlgorithm &explorer) const
template<class ExplorationAlgorithm >
const FT &	get_temperature (ExplorationAlgorithm &explorer) const
template<class ExplorationAlgorithm >
void	set_temperature (ExplorationAlgorithm &explorer, const FT &temperature)
template<class ExplorationAlgorithm >
const FT &	get_lambda_T (ExplorationAlgorithm &explorer) const
template<class ExplorationAlgorithm >
const FT &	get_displace_delta (ExplorationAlgorithm &explorer) const
template<class ExplorationAlgorithm >
void	set_displace_delta (ExplorationAlgorithm &explorer, const FT &displace_delta)
template<class ExplorationAlgorithm >
const FT &	get_lambda_D (ExplorationAlgorithm &explorer) const
template<class ExplorationAlgorithm >
const FT &	get_epsilon_height (ExplorationAlgorithm &explorer) const
template<class ExplorationAlgorithm >
const FT &	get_epsilon_distance (ExplorationAlgorithm &explorer) const
template<class Archive >
void	serialize (Archive &ar, const unsigned BOOST_PFTO int version)

Static Public Member Functions
static bool	is_lower (const typename Distance::Point &p, const typename Distance::Point &q)
static bool	are_identical (const typename Distance::Point &p, const typename Distance::Point &q)
static boost::program_options::options_description *&	get_options (void)
	Access to the options' description of the module. More...
static bool	has_options (void)
static void	delete_options (void)
static void	initialize_options (const std::string &caption)

Management
void	set_loader_instance_name (const std::string &loader_instance_name)
const std::string &	get_loader_instance_name (void) const

Detailed Description

template<class NumberType, class Distance>
class T_Exploration_parameters_default< NumberType, Distance >

Default representation of the parameters of the exploration algorithm.

The default parameters are the temperature, lambda_T, the displace delta and lambda_D. There are also epsilon values on the energies and distances between conformations when checking if two conformations are similar. In order to initialize the parameters when starting the algorithm, this class is a loader (see package Module_base)Only the temperature and the displace delta evolves during the algorithm: all values are stored in a list for possible analysis of temperature and displace delta evolution during the algorithm. Note that parameters can be updated after the selection, after the extension or after the insertion. By default, they are updated after the insertion. This does not prevent the algorithm to update part of the parameters for its own purpose.

Template Parameters

NumberType	Output number type of the distance.
Distance	Distance functor between two conformations.

Member Typedef Documentation

Base

typedef SBL::IO::Loader_base Base

Conformation_traits

typedef SBL::Models::T_Conformation_traits<typename std::remove_pointer<typename Distance::Point>::type> Conformation_traits

FT

typedef NumberType FT

Self

typedef T_Exploration_parameters_default<FT, Distance> Self

Member Function Documentation

add_options()

boost::program_options::options_description add_options ( void  ) const

inlinevirtual

Virtual method for adding options to the module.

Reimplemented from T_Module_option_description< Dummy >.

are_identical()

static bool are_identical ( const typename Distance::Point &  p, const typename Distance::Point &  q  )

inlinestatic

check_options()

bool check_options ( std::string &  message ) const

inlinevirtual

Checks that the input options' values are coherent.

Reimplemented from T_Module_option_description< Dummy >.

delete_options()

static void delete_options ( void  )

inlinestaticinherited

get_displace_delta()

const FT& get_displace_delta ( ExplorationAlgorithm &  explorer ) const

inline

get_epsilon_distance()

const FT& get_epsilon_distance ( ExplorationAlgorithm &  explorer ) const

inline

get_epsilon_height()

const FT& get_epsilon_height ( ExplorationAlgorithm &  explorer ) const

inline

get_initial_displace_delta()

const FT& get_initial_displace_delta ( ExplorationAlgorithm &  explorer ) const

inline

get_initial_temperature()

const FT& get_initial_temperature ( ExplorationAlgorithm &  explorer ) const

inline

get_lambda_D()

const FT& get_lambda_D ( ExplorationAlgorithm &  explorer ) const

inline

get_lambda_T()

const FT& get_lambda_T ( ExplorationAlgorithm &  explorer ) const

inline

get_loader_instance_name()

const std::string& get_loader_instance_name ( void  ) const

inlineinherited

get_name()

std::string get_name ( void  ) const

inlinevirtual

Return the name of the class itself.

Reimplemented from Loader_base.

get_options()

static boost::program_options::options_description*& get_options ( void  )

inlinestaticinherited

Access to the options' description of the module.

get_output_prefix()

std::string get_output_prefix ( void  ) const

inlinevirtual

Returns a prefix that concatains the input line options used when running the module.

Reimplemented from T_Module_option_description< Dummy >.

get_temperature()

const FT& get_temperature ( ExplorationAlgorithm &  explorer ) const

inline

has_options()

static bool has_options ( void  )

inlinestaticinherited

initialize_options()

static void initialize_options ( const std::string &  caption )

inlinestaticinherited

is_lower()

static bool is_lower ( const typename Distance::Point &  p, const typename Distance::Point &  q  )

inlinestatic

load()

bool load ( unsigned  verbose, std::ostream &  out  )

inlinevirtual

Loads the data.

Reimplemented from Loader_base.

serialize()

void serialize ( Archive &  ar, const unsigned BOOST_PFTO int  version  )

inline

set_displace_delta()

void set_displace_delta ( ExplorationAlgorithm &  explorer, const FT &  displace_delta  )

inline

set_loader_instance_name()

void set_loader_instance_name ( const std::string &  loader_instance_name )

inlineinherited

set_temperature()

void set_temperature ( ExplorationAlgorithm &  explorer, const FT &  temperature  )

inline

update_after_insertion()

void update_after_insertion ( ExplorationAlgorithm &  explorer, typename ExplorationAlgorithm::EL_sample_rep  s  )

inline

update_after_selection()

void update_after_selection ( ExplorationAlgorithm &  explorer, typename ExplorationAlgorithm::EL_sample_rep  s  )

inline

update_after_tuning()

void update_after_tuning ( ExplorationAlgorithm &  explorer, typename ExplorationAlgorithm::EL_sample_rep  s  )

inline