#include <DiffClexParamPack.hh>

Inheritance diagram for CASM::DiffClexParamPack:

Detailed Description

Class for managing the set of all dependent and independent paramters used/generated by clexulator.

Definition at line 242 of file DiffClexParamPack.hh.

Public Types
using	DiffScalar = DiffClexParamPack_impl::DiffScalar

using	EvalMode = DiffClexParamPack_impl::EvalMode

using	BaseKey = DiffClexParamKey

using	Key = DiffClexParamValKey

using	DoubleReference = Eigen::MatrixXd::CoeffReturnType

template<typename Scalar >
using	Val = ValAccess< Scalar >

typedef unsigned int	size_type

Public Member Functions
	DiffClexParamPack ()
	Default constructor initializes evaluation mode and zeros numbers of managed parameters. More...

size_type	size (ClexParamKey const &_key) const override
	'N' dimension of parameter array (either '1', or size of unit cell neighborhood) returns number of columns in parameter array More...

size_type	size (BaseKey const &_key) const

size_type	dim (ClexParamKey const &_key) const override
	'm' dimension of parameter array returns number of rows in parameter array More...

size_type	dim (BaseKey const &_key) const

std::string	eval_mode (ClexParamKey const &_key) const override
	Check evaluation mode for ClexParamPack parameter Choices are at least. More...

EvalMode	eval_mode (BaseKey const &_key) const

EvalMode	eval_mode () const

Eigen::MatrixXd const &	read (ClexParamKey const &_key) const override
	Returns const reference to parameter array for parameter specified by. More...

Eigen::MatrixXd const &	read (BaseKey const &_key) const

double const &	read (ClexParamKey const &_key, size_type _ind) const override
	Returns const reference to element of 1D parameter array for parameter specified by. More...

double const &	read (BaseKey const &_key, size_type _ind) const

double const &	read (ClexParamKey const &_key, size_type _i, size_type _j) const override
	Returns const reference to element of 2D parameter array for parameter specified by. More...

double const &	read (BaseKey const &_key, size_type _i, size_type _j) const

void	write (ClexParamKey const &_key, Eigen::Ref< const Eigen::MatrixXd > const &_val) override
	Write parameter array for parameter specified by. More...

void	write (ClexParamKey const &_key, size_type _i, double _val) override
	Write element to 1D parameter array for parameter specified by. More...

void	write (ClexParamKey const &_key, size_type _i, size_type _j, double _val) override
	Write element to 2D parameter array for parameter specified by. More...

void	set_eval_mode (ClexParamKey const &_key, std::string const &_mode) override
	Sets evaluation mode for ClexParamPack parameter Choices are at least. More...

void	set_eval_mode (BaseKey const &_key, EvalMode _mode)
	Set evaluation mode of specified parameter type. More...

void	pre_eval ()
	Prepares all independent parameters before function evaluation if derivatives are desired. More...

void	post_eval ()
	Processes all dependent parameters after function evaluation if derivatives are desired. More...

std::map< std::string, ClexParamKey > const &	keys () const
	Obtain registry of all keys for data blocks managed by this ClexParamPack. More...

ClexParamKey const &	key (std::string const &_name) const
	Obtain key for managed data block by name. More...

Protected Attributes
std::map< std::string, ClexParamKey >	m_keys

Private Attributes
std::vector< DiffScalarContainer >	m_data

std::vector< EvalMode >	m_eval

EvalMode	m_tot_eval_mode

Index	m_N_independent

Index	m_N_dependent

Friends
template<typename Scalar >
class	ValAccess

static const EvalMode	DEFAULT

static const EvalMode	READ

static const EvalMode	DIFF

static const EvalMode	DYNAM

void	write (BaseKey const &_key, Eigen::Ref< const Eigen::MatrixXd > const &_val)

void	write (BaseKey const &_key, size_type _i, double _val)

void	write (BaseKey const &_key, size_type _i, size_type _j, double _val)

Key	allocate (std::string const &_keyname, Index _rows, Index _cols, bool _independent)

Member Typedef Documentation

◆ BaseKey

using CASM::DiffClexParamPack::BaseKey = DiffClexParamKey

Definition at line 253 of file DiffClexParamPack.hh.

◆ DiffScalar

using CASM::DiffClexParamPack::DiffScalar = DiffClexParamPack_impl::DiffScalar

Definition at line 244 of file DiffClexParamPack.hh.

◆ DoubleReference

using CASM::DiffClexParamPack::DoubleReference = Eigen::MatrixXd::CoeffReturnType

Definition at line 255 of file DiffClexParamPack.hh.

◆ EvalMode

using CASM::DiffClexParamPack::EvalMode = DiffClexParamPack_impl::EvalMode

Definition at line 246 of file DiffClexParamPack.hh.

◆ Key

using CASM::DiffClexParamPack::Key = DiffClexParamValKey

Definition at line 254 of file DiffClexParamPack.hh.

◆ size_type

typedef unsigned int CASM::ClexParamPack::size_type

inherited

Definition at line 232 of file ClexParamPack.hh.

◆ Val

template<typename Scalar >

using CASM::DiffClexParamPack::Val = ValAccess<Scalar>

Definition at line 258 of file DiffClexParamPack.hh.

Constructor & Destructor Documentation

◆ DiffClexParamPack()

CASM::DiffClexParamPack::DiffClexParamPack ( )

inline

Default constructor initializes evaluation mode and zeros numbers of managed parameters.

Definition at line 265 of file DiffClexParamPack.hh.

Member Function Documentation

◆ allocate()

DiffClexParamPack::Key CASM::DiffClexParamPack::allocate	(	std::string const &	_keyname,
		Index	_rows,
		Index	_cols,
		bool	_independent
	)

inline

Definition at line 609 of file DiffClexParamPack.hh.

◆ dim() [1/2]

size_type CASM::DiffClexParamPack::dim ( BaseKey const & _key ) const

inline

Definition at line 280 of file DiffClexParamPack.hh.

◆ dim() [2/2]

size_type CASM::DiffClexParamPack::dim ( ClexParamKey const & _key ) const

inlineoverridevirtual

'm' dimension of parameter array returns number of rows in parameter array

Implements CASM::ClexParamPack.

Definition at line 276 of file DiffClexParamPack.hh.

◆ eval_mode() [1/3]

EvalMode CASM::DiffClexParamPack::eval_mode ( ) const

inline

Definition at line 290 of file DiffClexParamPack.hh.

◆ eval_mode() [2/3]

EvalMode CASM::DiffClexParamPack::eval_mode ( BaseKey const & _key ) const

inline

Definition at line 288 of file DiffClexParamPack.hh.

◆ eval_mode() [3/3]

std::string CASM::DiffClexParamPack::eval_mode ( ClexParamKey const & _key ) const

inlineoverridevirtual

Check evaluation mode for ClexParamPack parameter Choices are at least.

"default" (Clexulator manages evaluation and writing of parameters)
"read" (User fixes values via ClexParamPack::write and Clexulator reads provided values)
"custom" (Clexulator utilizes user-provided function handles to evaluate parameters)

Implements CASM::ClexParamPack.

Definition at line 284 of file DiffClexParamPack.hh.

◆ key()

ClexParamKey const& CASM::ClexParamPack::key ( std::string const & _name ) const

inlineinherited

Obtain key for managed data block by name.

Definition at line 242 of file ClexParamPack.hh.

◆ keys()

std::map<std::string, ClexParamKey> const& CASM::ClexParamPack::keys ( ) const

inlineinherited

Obtain registry of all keys for data blocks managed by this ClexParamPack.

Definition at line 239 of file ClexParamPack.hh.

◆ post_eval()

void CASM::DiffClexParamPack::post_eval ( )

inline

Processes all dependent parameters after function evaluation if derivatives are desired.

Definition at line 375 of file DiffClexParamPack.hh.

◆ pre_eval()

void CASM::DiffClexParamPack::pre_eval ( )

inline

Prepares all independent parameters before function evaluation if derivatives are desired.

Definition at line 363 of file DiffClexParamPack.hh.

◆ read() [1/6]

Eigen::MatrixXd const& CASM::DiffClexParamPack::read ( BaseKey const & _key ) const

inline

Definition at line 296 of file DiffClexParamPack.hh.

◆ read() [2/6]

double const& CASM::DiffClexParamPack::read	(	BaseKey const &	_key,
		size_type	_i,
		size_type	_j
	)		const

inline

Definition at line 313 of file DiffClexParamPack.hh.

◆ read() [3/6]

double const& CASM::DiffClexParamPack::read	(	BaseKey const &	_key,
		size_type	_ind
	)		const

inline

Definition at line 304 of file DiffClexParamPack.hh.

◆ read() [4/6]

Eigen::MatrixXd const& CASM::DiffClexParamPack::read ( ClexParamKey const & _key ) const

inlineoverridevirtual

Returns const reference to parameter array for parameter specified by.

Parameters

_key NOTE: Take care in constructing pointers or references from the return value. If _key accepts additional index identifiers, (because the parameter has more than 2 dimensions) ClexParamPack::read() may be implemented using an internally cached matrix holding the current data slice. As such, subsequent requests to ClexParamPack::read() for a different slice may alter the internally cached values while returning a reference for the same block of memory

Implements CASM::ClexParamPack.

Definition at line 292 of file DiffClexParamPack.hh.

◆ read() [5/6]

double const& CASM::DiffClexParamPack::read	(	ClexParamKey const &	_key,
		size_type	_i,
		size_type	_j
	)		const

inlineoverridevirtual

Returns const reference to element of 2D parameter array for parameter specified by.

Parameters

_key

Implements CASM::ClexParamPack.

Definition at line 308 of file DiffClexParamPack.hh.

◆ read() [6/6]

double const& CASM::DiffClexParamPack::read	(	ClexParamKey const &	_key,
		size_type	_i
	)		const

inlineoverridevirtual

Returns const reference to element of 1D parameter array for parameter specified by.

Parameters

_key

Implements CASM::ClexParamPack.

Definition at line 300 of file DiffClexParamPack.hh.

◆ set_eval_mode() [1/2]

void CASM::DiffClexParamPack::set_eval_mode	(	BaseKey const &	_key,
		EvalMode	_mode
	)

inline

Set evaluation mode of specified parameter type.

Parameters

_key	Specifies parameter for which evluation mode is being set
_mode	New value for evaluation mode

Definition at line 350 of file DiffClexParamPack.hh.

◆ set_eval_mode() [2/2]

void CASM::DiffClexParamPack::set_eval_mode	(	ClexParamKey const &	_key,
		std::string const &	_mode
	)

inlineoverridevirtual

Sets evaluation mode for ClexParamPack parameter Choices are at least.

"default" (Clexulator manages evaluation and writing of parameters)
"read" (User fixes values via ClexParamPack::write and Clexulator reads provided values)
"custom" (Clexulator utilizes user-provided function handles to evaluate parameters)

Implements CASM::ClexParamPack.

Definition at line 341 of file DiffClexParamPack.hh.

◆ size() [1/2]

size_type CASM::DiffClexParamPack::size ( BaseKey const & _key ) const

inline

Definition at line 272 of file DiffClexParamPack.hh.

◆ size() [2/2]

size_type CASM::DiffClexParamPack::size ( ClexParamKey const & _key ) const

inlineoverridevirtual

'N' dimension of parameter array (either '1', or size of unit cell neighborhood) returns number of columns in parameter array

Implements CASM::ClexParamPack.

Definition at line 268 of file DiffClexParamPack.hh.

◆ write() [1/6]

void CASM::DiffClexParamPack::write	(	BaseKey const &	_key,
		Eigen::Ref< const Eigen::MatrixXd > const &	_val
	)

inline

Definition at line 568 of file DiffClexParamPack.hh.

◆ write() [2/6]

void CASM::DiffClexParamPack::write	(	BaseKey const &	_key,
		size_type	_i,
		double	_val
	)

inline

Definition at line 581 of file DiffClexParamPack.hh.

◆ write() [3/6]

void CASM::DiffClexParamPack::write	(	BaseKey const &	_key,
		size_type	_i,
		size_type	_j,
		double	_val
	)

inline

Definition at line 595 of file DiffClexParamPack.hh.

◆ write() [4/6]

void CASM::DiffClexParamPack::write	(	ClexParamKey const &	_key,
		Eigen::Ref< const Eigen::MatrixXd > const &	_val
	)

inlineoverridevirtual

Write parameter array for parameter specified by.

Parameters

_key

Implements CASM::ClexParamPack.

Definition at line 317 of file DiffClexParamPack.hh.

◆ write() [5/6]

void CASM::DiffClexParamPack::write	(	ClexParamKey const &	_key,
		size_type	_i,
		double	val
	)

inlineoverridevirtual

Write element to 1D parameter array for parameter specified by.

Parameters

_key

Implements CASM::ClexParamPack.

Definition at line 325 of file DiffClexParamPack.hh.

◆ write() [6/6]

void CASM::DiffClexParamPack::write	(	ClexParamKey const &	_key,
		size_type	_i,
		size_type	_j,
		double	val
	)

inlineoverridevirtual

Write element to 2D parameter array for parameter specified by.

Parameters

_key

Implements CASM::ClexParamPack.

Definition at line 331 of file DiffClexParamPack.hh.

Friends And Related Function Documentation

◆ ValAccess

template<typename Scalar >

friend class ValAccess

friend

Definition at line 261 of file DiffClexParamPack.hh.

Member Data Documentation

◆ DEFAULT

const DiffClexParamPack::EvalMode CASM::DiffClexParamPack::DEFAULT

static

Initial value:

=

DiffClexParamPack::EvalMode::DEFAULT

CASM::DiffClexParamPack_impl::EvalMode::DEFAULT

@ DEFAULT

Definition at line 248 of file DiffClexParamPack.hh.

◆ DIFF

const DiffClexParamPack::EvalMode CASM::DiffClexParamPack::DIFF

static

Initial value:

=

DiffClexParamPack::EvalMode::DIFF

CASM::DiffClexParamPack_impl::EvalMode::DIFF

@ DIFF

Definition at line 250 of file DiffClexParamPack.hh.

◆ DYNAM

const DiffClexParamPack::EvalMode CASM::DiffClexParamPack::DYNAM

static

Initial value:

=

DiffClexParamPack::EvalMode::DYNAM

CASM::DiffClexParamPack_impl::EvalMode::DYNAM

@ DYNAM

Definition at line 251 of file DiffClexParamPack.hh.

◆ m_data

std::vector<DiffScalarContainer> CASM::DiffClexParamPack::m_data

private

Definition at line 386 of file DiffClexParamPack.hh.

◆ m_eval

std::vector<EvalMode> CASM::DiffClexParamPack::m_eval

private

Definition at line 387 of file DiffClexParamPack.hh.

◆ m_keys

std::map<std::string, ClexParamKey> CASM::ClexParamPack::m_keys

protectedinherited

Definition at line 325 of file ClexParamPack.hh.

◆ m_N_dependent

Index CASM::DiffClexParamPack::m_N_dependent

private

Definition at line 390 of file DiffClexParamPack.hh.

◆ m_N_independent

Index CASM::DiffClexParamPack::m_N_independent

private

Definition at line 389 of file DiffClexParamPack.hh.

◆ m_tot_eval_mode

EvalMode CASM::DiffClexParamPack::m_tot_eval_mode

private

Definition at line 388 of file DiffClexParamPack.hh.

◆ READ

const DiffClexParamPack::EvalMode CASM::DiffClexParamPack::READ

static

Initial value:

=

DiffClexParamPack::EvalMode::READ

CASM::DiffClexParamPack_impl::EvalMode::READ

@ READ

Definition at line 249 of file DiffClexParamPack.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clex/DiffClexParamPack.hh

Detailed Description

Public Types

Public Member Functions

Protected Attributes

Private Attributes

Friends

Member Typedef Documentation

◆ BaseKey

◆ DiffScalar

◆ DoubleReference

◆ EvalMode

◆ Key

◆ size_type

◆ Val

Constructor & Destructor Documentation

◆ DiffClexParamPack()

Member Function Documentation

◆ allocate()

◆ dim() [1/2]

◆ dim() [2/2]

◆ eval_mode() [1/3]

◆ eval_mode() [2/3]

◆ eval_mode() [3/3]

◆ key()

◆ keys()

◆ post_eval()

◆ pre_eval()

◆ read() [1/6]

◆ read() [2/6]

◆ read() [3/6]

◆ read() [4/6]

◆ read() [5/6]

◆ read() [6/6]

◆ set_eval_mode() [1/2]

◆ set_eval_mode() [2/2]

◆ size() [1/2]

◆ size() [2/2]

◆ write() [1/6]

◆ write() [2/6]

◆ write() [3/6]

◆ write() [4/6]

◆ write() [5/6]

◆ write() [6/6]

Friends And Related Function Documentation

◆ ValAccess

Member Data Documentation

◆ DEFAULT

◆ DIFF

◆ DYNAM

◆ m_data

◆ m_eval

◆ m_keys

◆ m_N_dependent

◆ m_N_independent

◆ m_tot_eval_mode

◆ READ