#include <ConfigDoFIsEquivalent.hh>

Inheritance diagram for CASM::ConfigDoFIsEquivalent::AnisoOccupation:

Detailed Description

Compare anisotropic occupation values

The protected '_check' method provides for both checking equality and if not equivalent, storing the 'less than' result

Method:

To improve efficiency when comparisons are being made repeatedly under transformation by the same factor group operation but different translations, temporary vectors 'm_new_occ_A' and 'm_new_occ_B' store the occupation values under transformation by factor group operation only, not site permutation. The factor group operation used last is stored in 'm_fg_index_A' and 'm_fg_index_B'. The 'm_tmp_valid' is set to false if comparison is made against an "other" ConfigDoF to force update of the transformed variables in the temporary vectors the next time the functor is called because it cannot be guaranteed that the "other" is the same.

Definition at line 155 of file ConfigDoFIsEquivalent.hh.

Public Member Functions
	AnisoOccupation (ConfigDoF const &_configdof)

bool	operator() (ConfigDoF const &other) const override
	Return config == other, store config < other. More...

bool	operator() (PermuteIterator const &B) const override
	Return config == Bconfig, store config < Bconfig. More...

bool	operator() (PermuteIterator const &A, PermuteIterator const &B) const override
	Return Aconfig == Bconfig, store Aconfig < Bconfig. More...

bool	operator() (PermuteIterator const &B, ConfigDoF const &other) const override
	Return config == Bother, store config < Bother. More...

bool	operator() (PermuteIterator const &A, PermuteIterator const &B, ConfigDoF const &other) const override
	Return Aconfig == Bother, store Aconfig < Bother. More...

bool	is_less () const
	Returns less than comparison. More...

bool	operator() (Configuration const &other) const
	Return config == other. More...

std::unique_ptr< Base >	clone () const

Protected Member Functions
ConfigDoF const &	configdof () const

template<typename F , typename G >
bool	_for_each (F f, G g) const

void	_update_A (PermuteIterator const &A, ConfigDoF const &before) const

void	_update_B (PermuteIterator const &B, ConfigDoF const &before) const

Protected Attributes
bool	m_less

Private Member Functions
AnisoOccupation *	_clone () const override

template<typename T >
bool	_check (const T &A, const T &B) const

Private Attributes
ConfigDoF const *	m_configdof_ptr

bool	m_tmp_valid

Index	m_fg_index_A

Eigen::VectorXi	m_new_occ_A

Index	m_fg_index_B

Eigen::VectorXi	m_new_occ_B

Constructor & Destructor Documentation

◆ AnisoOccupation()

CASM::ConfigDoFIsEquivalent::AnisoOccupation::AnisoOccupation ( ConfigDoF const & _configdof )

inline

Definition at line 157 of file ConfigDoFIsEquivalent.hh.

Member Function Documentation

◆ _check()

template<typename T >

bool CASM::ConfigDoFIsEquivalent::AnisoOccupation::_check	(	const T &	A,
		const T &	B
	)		const

inlineprivate

Definition at line 261 of file ConfigDoFIsEquivalent.hh.

◆ _clone()

AnisoOccupation* CASM::ConfigDoFIsEquivalent::AnisoOccupation::_clone ( ) const

inlineoverrideprivatevirtual

Implements CASM::ConfigDoFIsEquivalent::Base.

Definition at line 256 of file ConfigDoFIsEquivalent.hh.

◆ _for_each()

template<typename F , typename G >

bool CASM::ConfigDoFIsEquivalent::AnisoOccupation::_for_each	(	F	f,
		G	g
	)		const

inlineprotected

Definition at line 220 of file ConfigDoFIsEquivalent.hh.

◆ _update_A()

void CASM::ConfigDoFIsEquivalent::AnisoOccupation::_update_A	(	PermuteIterator const &	A,
		ConfigDoF const &	before
	)		const

inlineprotected

Definition at line 231 of file ConfigDoFIsEquivalent.hh.

◆ _update_B()

void CASM::ConfigDoFIsEquivalent::AnisoOccupation::_update_B	(	PermuteIterator const &	B,
		ConfigDoF const &	before
	)		const

inlineprotected

Definition at line 243 of file ConfigDoFIsEquivalent.hh.

◆ clone()

std::unique_ptr<Base> CASM::ConfigDoFIsEquivalent::Base::clone ( ) const

inlineinherited

Definition at line 55 of file ConfigDoFIsEquivalent.hh.

◆ configdof()

ConfigDoF const& CASM::ConfigDoFIsEquivalent::AnisoOccupation::configdof ( ) const

inlineprotected

Definition at line 217 of file ConfigDoFIsEquivalent.hh.

◆ is_less()

bool CASM::ConfigDoFIsEquivalent::Base::is_less ( ) const

inlineinherited

Returns less than comparison.

Only valid after call operator returns false

Definition at line 30 of file ConfigDoFIsEquivalent.hh.

◆ operator()() [1/6]

bool CASM::ConfigDoFIsEquivalent::AnisoOccupation::operator() ( ConfigDoF const & other ) const

inlineoverridevirtual

Return config == other, store config < other.

Implements CASM::ConfigDoFIsEquivalent::Base.

Definition at line 166 of file ConfigDoFIsEquivalent.hh.

◆ operator()() [2/6]

bool CASM::ConfigDoFIsEquivalent::Base::operator() ( Configuration const & other ) const

inlineinherited

Return config == other.

Definition at line 33 of file ConfigDoFIsEquivalent.hh.

◆ operator()() [3/6]

bool CASM::ConfigDoFIsEquivalent::AnisoOccupation::operator()	(	PermuteIterator const &	A,
		PermuteIterator const &	B
	)		const

inlineoverridevirtual

Return A*config == B*config, store A*config < B*config.

Implements CASM::ConfigDoFIsEquivalent::Base.

Definition at line 182 of file ConfigDoFIsEquivalent.hh.

◆ operator()() [4/6]

bool CASM::ConfigDoFIsEquivalent::AnisoOccupation::operator()	(	PermuteIterator const &	A,
		PermuteIterator const &	B,
		ConfigDoF const &	other
	)		const

inlineoverridevirtual

Return A*config == B*other, store A*config < B*other.

Implements CASM::ConfigDoFIsEquivalent::Base.

Definition at line 205 of file ConfigDoFIsEquivalent.hh.

◆ operator()() [5/6]

bool CASM::ConfigDoFIsEquivalent::AnisoOccupation::operator() ( PermuteIterator const & B ) const

inlineoverridevirtual

Return config == B*config, store config < B*config.

Implements CASM::ConfigDoFIsEquivalent::Base.

Definition at line 172 of file ConfigDoFIsEquivalent.hh.

◆ operator()() [6/6]

bool CASM::ConfigDoFIsEquivalent::AnisoOccupation::operator()	(	PermuteIterator const &	B,
		ConfigDoF const &	other
	)		const

inlineoverridevirtual

Return config == B*other, store config < B*other.

Implements CASM::ConfigDoFIsEquivalent::Base.

Definition at line 194 of file ConfigDoFIsEquivalent.hh.

Member Data Documentation

◆ m_configdof_ptr

ConfigDoF const* CASM::ConfigDoFIsEquivalent::AnisoOccupation::m_configdof_ptr

private

Definition at line 270 of file ConfigDoFIsEquivalent.hh.

◆ m_fg_index_A

Index CASM::ConfigDoFIsEquivalent::AnisoOccupation::m_fg_index_A

mutableprivate

Definition at line 278 of file ConfigDoFIsEquivalent.hh.

◆ m_fg_index_B

Index CASM::ConfigDoFIsEquivalent::AnisoOccupation::m_fg_index_B

mutableprivate

Definition at line 281 of file ConfigDoFIsEquivalent.hh.

◆ m_less

bool CASM::ConfigDoFIsEquivalent::Base::m_less

mutableprotectedinherited

Definition at line 60 of file ConfigDoFIsEquivalent.hh.

◆ m_new_occ_A

Eigen::VectorXi CASM::ConfigDoFIsEquivalent::AnisoOccupation::m_new_occ_A

mutableprivate

Definition at line 279 of file ConfigDoFIsEquivalent.hh.

◆ m_new_occ_B

Eigen::VectorXi CASM::ConfigDoFIsEquivalent::AnisoOccupation::m_new_occ_B

mutableprivate

Definition at line 282 of file ConfigDoFIsEquivalent.hh.

◆ m_tmp_valid

bool CASM::ConfigDoFIsEquivalent::AnisoOccupation::m_tmp_valid

mutableprivate

Definition at line 274 of file ConfigDoFIsEquivalent.hh.

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

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

Detailed Description

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ AnisoOccupation()

Member Function Documentation

◆ _check()

◆ _clone()

◆ _for_each()

◆ _update_A()

◆ _update_B()

◆ clone()

◆ configdof()

◆ is_less()

◆ operator()() [1/6]

◆ operator()() [2/6]

◆ operator()() [3/6]

◆ operator()() [4/6]

◆ operator()() [5/6]

◆ operator()() [6/6]

Member Data Documentation

◆ m_configdof_ptr

◆ m_fg_index_A

◆ m_fg_index_B

◆ m_less

◆ m_new_occ_A

◆ m_new_occ_B

◆ m_tmp_valid