#include <MonteSampler.hh>

Inheritance diagram for CASM::ScalarMonteSampler:

Detailed Description

Sampler for a scalar property.

Definition at line 194 of file MonteSampler.hh.

Public Types
typedef MCData::size_type	size_type

Public Member Functions
	ScalarMonteSampler (std::string _property_name, std::string print_name, double data_confidence, size_type data_initsize)
	Construct sampler that does not need to converge. More...

	ScalarMonteSampler (std::string _property_name, std::string print_name, double data_prec, double data_confidence, size_type data_initsize)
	Construct sampler that must converge. More...

void	sample (const MonteCarlo &mc, const MonteCounter &counter)
	Sample data from a MonteCarlo calculation. More...

std::unique_ptr < ScalarMonteSampler >	clone () const
	Clone this object. More...

void	clear ()
	Clear all data observations. More...

std::pair< bool, size_type >	is_equilibrated () const
	Returns pair(true, equil_steps) if equilibration has occured to required precision. More...

bool	must_converge () const
	Returns true if convergence criteria must be met for Monte Carlo calculation to be complete. More...

double	requested_precision () const
	Returns requested precision on the mean. More...

bool	is_converged (size_type equil_samples) const
	Returns true if convergence criteria have been met for data sampled in range [equil_samples, end) More...

double	mean (size_type equil_samples) const
	Returns <X> for data sampled in range [equil_samples, end) More...

double	squared_norm (size_type equil_samples) const
	Returns <X*X> for data sampled in range [equil_samples, end) More...

double	calculated_precision (size_type equil_samples) const
	Returns calculated precision on the mean for data sampled in range [equil_samples, end) More...

const MCData &	data () const
	const Access the raw data observation container More...

std::string	name () const
	Property name for printing. More...

Protected Member Functions
MCData &	data ()
	Access the raw data observation container. More...

Private Member Functions
virtual ScalarMonteSampler *	_clone () const

Private Attributes
std::string	m_property_name

Member Typedef Documentation

typedef MCData::size_type CASM::MonteSampler::size_type

inherited

Definition at line 26 of file MonteSampler.hh.

Constructor & Destructor Documentation

CASM::ScalarMonteSampler::ScalarMonteSampler	(	std::string	_property_name,
		std::string	print_name,
		double	data_confidence,
		size_type	data_initsize
	)

Construct sampler that does not need to converge.

Parameters

_property_name	Name of scalar property to sample, ex: "formation_energy"
print_name	Name to be printed, ex: "formation_energy"
data_initsize	For constructing MCData object

Definition at line 42 of file MonteSampler.cc.

CASM::ScalarMonteSampler::ScalarMonteSampler	(	std::string	_property_name,
		std::string	print_name,
		double	data_prec,
		double	data_confidence,
		size_type	data_initsize
	)

Construct sampler that must converge.

Parameters

_property_name	Name of scalar property to sample, ex: "formation_energy"
print_name	Name to be printed, ex: "formation_energy"
data_prec	Required precision level
data_confidence	Required confidence level
data_initsize	For constructing MCData object

Definition at line 57 of file MonteSampler.cc.

Member Function Documentation

virtual ScalarMonteSampler* CASM::ScalarMonteSampler::_clone ( ) const

inlineprivatevirtual

Reimplemented from CASM::MonteSampler.

Definition at line 222 of file MonteSampler.hh.

double CASM::MonteSampler::calculated_precision ( size_type equil_samples ) const

inlineinherited

Returns calculated precision on the mean for data sampled in range [equil_samples, end)

Definition at line 119 of file MonteSampler.hh.

void CASM::MonteSampler::clear ( )

inlineinherited

Clear all data observations.

Definition at line 47 of file MonteSampler.hh.

std::unique_ptr<ScalarMonteSampler> CASM::ScalarMonteSampler::clone ( ) const

inline

Clone this object.

Definition at line 216 of file MonteSampler.hh.

const MCData& CASM::MonteSampler::data ( ) const

inlineinherited

const Access the raw data observation container

Definition at line 130 of file MonteSampler.hh.

MCData& CASM::MonteSampler::data ( )

inlineprotectedinherited

Access the raw data observation container.

Definition at line 148 of file MonteSampler.hh.

bool CASM::MonteSampler::is_converged ( size_type equil_samples ) const

inlineinherited

Returns true if convergence criteria have been met for data sampled in range [equil_samples, end)

If must_converge() == false, always returns false

Definition at line 82 of file MonteSampler.hh.

std::pair<bool, size_type> CASM::MonteSampler::is_equilibrated ( ) const

inlineinherited

Returns pair(true, equil_steps) if equilibration has occured to required precision.

If must_converge() == false, always returns false

Definition at line 55 of file MonteSampler.hh.

double CASM::MonteSampler::mean ( size_type equil_samples ) const

inlineinherited

Returns <X> for data sampled in range [equil_samples, end)

Definition at line 97 of file MonteSampler.hh.

bool CASM::MonteSampler::must_converge ( ) const

inlineinherited

Returns true if convergence criteria must be met for Monte Carlo calculation to be complete.

Definition at line 70 of file MonteSampler.hh.

std::string CASM::MonteSampler::name ( ) const

inlineinherited

Property name for printing.

Definition at line 135 of file MonteSampler.hh.

double CASM::MonteSampler::requested_precision ( ) const

inlineinherited

Returns requested precision on the mean.

Definition at line 75 of file MonteSampler.hh.

void CASM::ScalarMonteSampler::sample	(	const MonteCarlo &	mc,
		const MonteCounter &	counter
	)

virtual

Sample data from a MonteCarlo calculation.

Reimplemented from CASM::MonteSampler.

Definition at line 67 of file MonteSampler.cc.

double CASM::MonteSampler::squared_norm ( size_type equil_samples ) const

inlineinherited

Returns <X*X> for data sampled in range [equil_samples, end)

Definition at line 108 of file MonteSampler.hh.

Member Data Documentation

std::string CASM::ScalarMonteSampler::m_property_name

private

Definition at line 226 of file MonteSampler.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/MonteSampler.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/monte_carlo/MonteSampler.cc

Detailed Description

Public Types

Public Member Functions

Protected Member Functions

Private Member Functions

Private Attributes

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation