#include <MonteCarloEnum.hh>

Detailed Description

Definition at line 43 of file MonteCarloEnum.hh.

Public Types
typedef HallOfFame< Configuration, MonteCarloEnumMetric >	HallOfFameType

Public Member Functions
template<typename MonteTypeSettings , typename MonteCarloType >
	MonteCarloEnum (const PrimClex &primclex, const MonteTypeSettings &settings, Log &log, MonteCarloType &mc)

const PrimClex &	primclex () const
	const Access the PrimClex that *this is based on More...

bool	on_accept () const
	Check if enumeration is requested after every acceptance. More...

bool	on_sample () const
	Check if enumeration is requested after every sample. More...

HallOfFameType::InsertResult	insert (const Configuration &config)
	Attempt to insert (canonical) Configuration into enumeration hall of fame. More...

void	clear ()
	Clear hall of fame. More...

const HallOfFameType &	halloffame () const
	const Access the enumeration hall of fame More...

void	save_configs ()
	Save configurations in the hall of fame to the config list. More...

std::string	check_args () const

std::string	metric_args () const

void	print_info () const

bool	debug () const
	return true if running in debug mode More...

bool	check_existence () const
	If true, insert configurations in canonical form. More...

bool	insert_canonical () const
	Map for faster? access of PrimClex's supercells. More...

void	reset ()
	Clear hall of fame and reset excluded. More...

Private Member Functions
MonteCarloEnum::HallOfFameType::InsertResult	_insert (const Configuration &config)
	Insert in hall of fame if 'check' passes. More...

HallOfFameType &	_halloffame ()

Log &	_log () const

Private Attributes
const PrimClex &	m_primclex
	PrimClex for this system. More...

Log &	m_log
	Target for messages. More...

ENUM_SAMPLE_MODE	m_sample_mode
	when to attempt to insert configurations in the hall of fame More...

bool	m_debug

std::string	m_check_args

std::string	m_metric_args

notstd::cloneable_ptr< HallOfFameType >	m_halloffame
	Use for enumerating configurations via Monte Carlo. More...

notstd::cloneable_ptr< MonteCarloEnumCheck >	m_enum_check
	Use for enumerating configurations via Monte Carlo. More...

bool	m_check_existence
	If true, only keep configurations that are not enumerated already. More...

bool	m_insert_canonical
	If true, insert configurations in canonical form. More...

std::map< std::string, Supercell * >	m_canon_scel
	Map for faster? access of PrimClex's supercells. More...

DataFormatterDictionary< Configuration >	m_dict
	Used for various purposes. More...

std::map< std::string, std::pair< bool, double > >	m_data
	holds 'is_new, score' data More...

Member Typedef Documentation

◆ HallOfFameType

typedef HallOfFame<Configuration, MonteCarloEnumMetric> CASM::Monte::MonteCarloEnum::HallOfFameType

Definition at line 45 of file MonteCarloEnum.hh.

Constructor & Destructor Documentation

◆ MonteCarloEnum()

template<typename MonteTypeSettings , typename MonteCarloType >

template CASM::Monte::MonteCarloEnum::MonteCarloEnum	(	const PrimClex &	primclex,
		const MonteTypeSettings &	settings,
		Log &	log,
		MonteCarloType &	mc
	)

Definition at line 14 of file MonteCarloEnum_impl.hh.

Member Function Documentation

◆ _halloffame()

MonteCarloEnum::HallOfFameType & CASM::Monte::MonteCarloEnum::_halloffame ( )

private

Definition at line 171 of file MonteCarloEnum.cc.

◆ _insert()

MonteCarloEnum::HallOfFameType::InsertResult CASM::Monte::MonteCarloEnum::_insert ( const Configuration & config )

private

Insert in hall of fame if 'check' passes.

Definition at line 10 of file MonteCarloEnum.cc.

◆ _log()

Log& CASM::Monte::MonteCarloEnum::_log ( ) const

inlineprivate

Definition at line 108 of file MonteCarloEnum.hh.

◆ check_args()

std::string CASM::Monte::MonteCarloEnum::check_args ( ) const

inline

Definition at line 81 of file MonteCarloEnum.hh.

◆ check_existence()

bool CASM::Monte::MonteCarloEnum::check_existence ( ) const

inline

If true, insert configurations in canonical form.

If m_check_existence == true, this must be true

Definition at line 93 of file MonteCarloEnum.hh.

◆ clear()

void CASM::Monte::MonteCarloEnum::clear ( )

inline

Clear hall of fame.

Definition at line 69 of file MonteCarloEnum.hh.

◆ debug()

bool CASM::Monte::MonteCarloEnum::debug ( ) const

inline

return true if running in debug mode

Definition at line 88 of file MonteCarloEnum.hh.

◆ halloffame()

const MonteCarloEnum::HallOfFameType & CASM::Monte::MonteCarloEnum::halloffame ( ) const

const Access the enumeration hall of fame

Definition at line 73 of file MonteCarloEnum.cc.

◆ insert()

MonteCarloEnum::HallOfFameType::InsertResult CASM::Monte::MonteCarloEnum::insert ( const Configuration & config )

Attempt to insert (canonical) Configuration into enumeration hall of fame.

Attempt to insert Configuration into enumeration hall of fame.

Returns: Pair of iterator pointing to inserted Configuration (or end), and bool indicating if insert was successful

Configurations are only inserted into hall of fame if:

'enum_check' returns true
the Configuration is not already in the config list

Definition at line 28 of file MonteCarloEnum.cc.

◆ insert_canonical()

bool CASM::Monte::MonteCarloEnum::insert_canonical ( ) const

inline

Map for faster? access of PrimClex's supercells.

Definition at line 96 of file MonteCarloEnum.hh.

◆ metric_args()

std::string CASM::Monte::MonteCarloEnum::metric_args ( ) const

inline

Definition at line 83 of file MonteCarloEnum.hh.

◆ on_accept()

bool CASM::Monte::MonteCarloEnum::on_accept ( ) const

inline

Check if enumeration is requested after every acceptance.

Definition at line 55 of file MonteCarloEnum.hh.

◆ on_sample()

bool CASM::Monte::MonteCarloEnum::on_sample ( ) const

inline

Check if enumeration is requested after every sample.

Definition at line 60 of file MonteCarloEnum.hh.

◆ primclex()

const PrimClex& CASM::Monte::MonteCarloEnum::primclex ( ) const

inline

const Access the PrimClex that *this is based on

Definition at line 52 of file MonteCarloEnum.hh.

◆ print_info()

void CASM::Monte::MonteCarloEnum::print_info ( ) const

Definition at line 143 of file MonteCarloEnum.cc.

◆ reset()

void CASM::Monte::MonteCarloEnum::reset ( )

Clear hall of fame and reset excluded.

Definition at line 161 of file MonteCarloEnum.cc.

◆ save_configs()

void CASM::Monte::MonteCarloEnum::save_configs ( )

Save configurations in the hall of fame to the config list.

Definition at line 83 of file MonteCarloEnum.cc.

Member Data Documentation

◆ m_canon_scel

std::map<std::string, Supercell *> CASM::Monte::MonteCarloEnum::m_canon_scel

mutableprivate

Map for faster? access of PrimClex's supercells.

Definition at line 140 of file MonteCarloEnum.hh.

◆ m_check_args

std::string CASM::Monte::MonteCarloEnum::m_check_args

private

Definition at line 122 of file MonteCarloEnum.hh.

◆ m_check_existence

bool CASM::Monte::MonteCarloEnum::m_check_existence

private

If true, only keep configurations that are not enumerated already.

Definition at line 132 of file MonteCarloEnum.hh.

◆ m_data

std::map<std::string, std::pair<bool, double> > CASM::Monte::MonteCarloEnum::m_data

private

holds 'is_new, score' data

Definition at line 146 of file MonteCarloEnum.hh.

◆ m_debug

bool CASM::Monte::MonteCarloEnum::m_debug

private

Definition at line 120 of file MonteCarloEnum.hh.

◆ m_dict

DataFormatterDictionary<Configuration> CASM::Monte::MonteCarloEnum::m_dict

private

Used for various purposes.

Definition at line 143 of file MonteCarloEnum.hh.

◆ m_enum_check

notstd::cloneable_ptr<MonteCarloEnumCheck> CASM::Monte::MonteCarloEnum::m_enum_check

private

Use for enumerating configurations via Monte Carlo.

Definition at line 129 of file MonteCarloEnum.hh.

◆ m_halloffame

notstd::cloneable_ptr<HallOfFameType> CASM::Monte::MonteCarloEnum::m_halloffame

mutableprivate

Use for enumerating configurations via Monte Carlo.

Definition at line 126 of file MonteCarloEnum.hh.

◆ m_insert_canonical

bool CASM::Monte::MonteCarloEnum::m_insert_canonical

private

If true, insert configurations in canonical form.

If m_check_existence == true, this must be true

Definition at line 137 of file MonteCarloEnum.hh.

◆ m_log

Log& CASM::Monte::MonteCarloEnum::m_log

private

Target for messages.

Definition at line 114 of file MonteCarloEnum.hh.

◆ m_metric_args

std::string CASM::Monte::MonteCarloEnum::m_metric_args

private

Definition at line 123 of file MonteCarloEnum.hh.

◆ m_primclex

const PrimClex& CASM::Monte::MonteCarloEnum::m_primclex

private

PrimClex for this system.

Definition at line 111 of file MonteCarloEnum.hh.

◆ m_sample_mode

ENUM_SAMPLE_MODE CASM::Monte::MonteCarloEnum::m_sample_mode

private

when to attempt to insert configurations in the hall of fame

Definition at line 117 of file MonteCarloEnum.hh.

The documentation for this class was generated from the following files:

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/monte_carlo/MonteCarloEnum.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/monte_carlo/MonteCarloEnum_impl.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/monte_carlo/canonical/Canonical.cc
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/monte_carlo/grand_canonical/GrandCanonical.cc
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/monte_carlo/MonteCarloEnum.cc

Detailed Description

Public Types

Public Member Functions

Private Member Functions

Private Attributes

Member Typedef Documentation

◆ HallOfFameType

Constructor & Destructor Documentation

◆ MonteCarloEnum()

Member Function Documentation

◆ _halloffame()

◆ _insert()

◆ _log()

◆ check_args()

◆ check_existence()

◆ clear()

◆ debug()

◆ halloffame()

◆ insert()

◆ insert_canonical()

◆ metric_args()

◆ on_accept()

◆ on_sample()

◆ primclex()

◆ print_info()

◆ reset()

◆ save_configs()

Member Data Documentation

◆ m_canon_scel

◆ m_check_args

◆ m_check_existence

◆ m_data

◆ m_debug

◆ m_dict

◆ m_enum_check

◆ m_halloffame

◆ m_insert_canonical

◆ m_log

◆ m_metric_args

◆ m_primclex

◆ m_sample_mode