#include <MonteCarloEnum.hh>

Detailed Description

Definition at line 53 of file MonteCarloEnum.hh.

Public Types
typedef HallOfFame < Configuration, MonteCarloEnumMetric >	HallOfFameType

Public Member Functions
template<typename MonteTypeSettings , typename MonteCarloType >
	MonteCarloEnum (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 ()

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

Log &	_log () const

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

Log &	m_log
	Target for messages. More...

Monte::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

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

Definition at line 57 of file MonteCarloEnum.hh.

Constructor & Destructor Documentation

template<typename MonteTypeSettings , typename MonteCarloType >

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

Definition at line 12 of file MonteCarloEnum_impl.hh.

Member Function Documentation

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

private

Definition at line 218 of file MonteCarloEnum.cc.

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

private

Insert in hall of fame if 'check' passes.

Definition at line 7 of file MonteCarloEnum.cc.

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

inlineprivate

Definition at line 135 of file MonteCarloEnum.hh.

PrimClex& CASM::MonteCarloEnum::_primclex ( ) const

inlineprivate

Access the PrimClex that *this is based on.

Definition at line 131 of file MonteCarloEnum.hh.

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

inline

Definition at line 93 of file MonteCarloEnum.hh.

bool CASM::MonteCarloEnum::check_existence ( ) const

inline

If true, insert configurations in canonical form.

If m_check_existence == true, this must be true

Definition at line 111 of file MonteCarloEnum.hh.

void CASM::MonteCarloEnum::clear ( )

inline

Clear hall of fame.

Definition at line 81 of file MonteCarloEnum.hh.

bool CASM::MonteCarloEnum::debug ( ) const

inline

return true if running in debug mode

Definition at line 104 of file MonteCarloEnum.hh.

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

const Access the enumeration hall of fame

Definition at line 71 of file MonteCarloEnum.cc.

MonteCarloEnum::HallOfFameType::InsertResult CASM::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 24 of file MonteCarloEnum.cc.

bool CASM::MonteCarloEnum::insert_canonical ( ) const

inline

Map for faster? access of PrimClex's supercells.

Definition at line 116 of file MonteCarloEnum.hh.

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

inline

Definition at line 97 of file MonteCarloEnum.hh.

bool CASM::MonteCarloEnum::on_accept ( ) const

inline

Check if enumeration is requested after every acceptance.

Definition at line 68 of file MonteCarloEnum.hh.

bool CASM::MonteCarloEnum::on_sample ( ) const

inline

Check if enumeration is requested after every sample.

Definition at line 73 of file MonteCarloEnum.hh.

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

inline

const Access the PrimClex that *this is based on

Definition at line 63 of file MonteCarloEnum.hh.

void CASM::MonteCarloEnum::print_info ( ) const

Definition at line 193 of file MonteCarloEnum.cc.

void CASM::MonteCarloEnum::reset ( )

Clear hall of fame and reset excluded.

Definition at line 210 of file MonteCarloEnum.cc.

void CASM::MonteCarloEnum::save_configs ( )

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

Definition at line 115 of file MonteCarloEnum.cc.

Member Data Documentation

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

mutableprivate

Map for faster? access of PrimClex's supercells.

Definition at line 170 of file MonteCarloEnum.hh.

std::string CASM::MonteCarloEnum::m_check_args

private

Definition at line 152 of file MonteCarloEnum.hh.

bool CASM::MonteCarloEnum::m_check_existence

private

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

Definition at line 162 of file MonteCarloEnum.hh.

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

private

holds 'is_new, score' data

Definition at line 176 of file MonteCarloEnum.hh.

bool CASM::MonteCarloEnum::m_debug

private

Definition at line 150 of file MonteCarloEnum.hh.

DataFormatterDictionary<Configuration> CASM::MonteCarloEnum::m_dict

private

Used for various purposes.

Definition at line 173 of file MonteCarloEnum.hh.

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

private

Use for enumerating configurations via Monte Carlo.

Definition at line 159 of file MonteCarloEnum.hh.

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

mutableprivate

Use for enumerating configurations via Monte Carlo.

Definition at line 156 of file MonteCarloEnum.hh.

bool CASM::MonteCarloEnum::m_insert_canonical

private

If true, insert configurations in canonical form.

If m_check_existence == true, this must be true

Definition at line 167 of file MonteCarloEnum.hh.

Log& CASM::MonteCarloEnum::m_log

private

Target for messages.

Definition at line 144 of file MonteCarloEnum.hh.

std::string CASM::MonteCarloEnum::m_metric_args

private

Definition at line 153 of file MonteCarloEnum.hh.

PrimClex& CASM::MonteCarloEnum::m_primclex

private

PrimClex for this system.

Definition at line 141 of file MonteCarloEnum.hh.

Monte::ENUM_SAMPLE_MODE CASM::MonteCarloEnum::m_sample_mode

private

when to attempt to insert configurations in the hall of fame

Definition at line 147 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/MonteCarloEnum.cc

Detailed Description

Public Types

Public Member Functions

Private Member Functions

Private Attributes

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation