#include <PermuteIterator.hh>

Inheritance diagram for CASM::PermuteIterator:

Detailed Description

Iterate over all combined factor group and translation permutations for a Supercell

The sequence:

SupercellSymInfo sym_info = ...
for(it = sym_info.permute_begin(); it != sym_info.permute_end(); ++it) {
  after_array = it->permute(before_array);
}

Replicates this sequence of permutations:

SupercellSymInfo sym_info = ...
for( f=0; f<sym_info.factor_group().size(); f++) {
  for( t=0; t<sym_info.translation_permutations().size(); t++) {
    after_array =
    sym_info.translation_permute(t).permute(sym_info.factor_group_permute(f).permute(before_array));
  }
}

Bidirectional iterators are supposed to be input/output iterators, but this is actually only an input iterator (meaning operator* returns by value).

Definition at line 43 of file PermuteIterator.hh.

Public Types
typedef Base::MostDerived	MostDerived

Public Member Functions
	PermuteIterator ()

	PermuteIterator (const PermuteIterator &iter)

	PermuteIterator (SupercellSymInfo const &_sym_info, Index _factor_group_index, Index _translation_index)

PermuteIterator &	operator= (PermuteIterator iter)

const PermuteIterator &	operator* () const
	Returns a reference to this. More...

const PermuteIterator *	operator-> () const
	Returns a pointer to this. More...

Permutation	combined_permute () const

SymGroup const &	factor_group () const
	Reference the `SupercellSymInfo::factor_group()` More...

SupercellSymInfo const &	sym_info () const
	Reference the SupercellSymInfo containing the operations being pointed at. More...

Index	factor_group_index () const
	Return the supercell factor group index. More...

Index	prim_factor_group_index () const
	Return the prim factor group index. More...

Index	translation_index () const
	Return the index into the supercell translation permutations. More...

const Permutation &	factor_group_permute () const
	Return the factor group permutation being pointed at. More...

const Permutation &	translation_permute () const
	Return the translation permutation being pointed at. More...

SymOpRepresentation const &	occ_rep (Index b) const

SymOpRepresentation const &	local_dof_rep (DoFKey const &_key, Index b) const

SymOpRepresentation const &	global_dof_rep (DoFKey const &_key) const

SymOp	sym_op () const

Index	permute_ind (Index i) const

bool	operator< (const PermuteIterator &iter) const

PermuteIterator &	operator++ ()

PermuteIterator	operator++ (int)

PermuteIterator &	operator-- ()

PermuteIterator	operator-- (int)

PermuteIterator	begin_next_fg_op () const

PermuteIterator	inverse () const

PermuteIterator	operator* (const PermuteIterator &RHS) const

bool	is_compatible (const PermuteIterator &other_permute_iterator) const

bool	operator> (const MostDerived &B) const

bool	operator<= (const MostDerived &B) const

bool	operator>= (const MostDerived &B) const

bool	operator== (const MostDerived &B) const

bool	operator!= (const MostDerived &B) const

Protected Member Functions
bool	eq_impl (const MostDerived &B) const

bool	ne_impl (const MostDerived &B) const

Private Member Functions
bool	eq_impl (const PermuteIterator &iter) const

Private Attributes
SupercellSymInfo const *	m_sym_info

std::vector< Permutation > const *	m_trans_permute

Index	m_factor_group_index

Index	m_translation_index

friend	Comparisons< CRTPBase< PermuteIterator > >

Friends
void	swap (PermuteIterator &a, PermuteIterator &b)

Member Typedef Documentation

◆ MostDerived

template<typename Base >

typedef Base::MostDerived notstd::Comparisons< Base >::MostDerived

inherited

Definition at line 27 of file Comparisons.hh.

Constructor & Destructor Documentation

◆ PermuteIterator() [1/3]

CASM::PermuteIterator::PermuteIterator ( )

Definition at line 14 of file PermuteIterator.cc.

◆ PermuteIterator() [2/3]

CASM::PermuteIterator::PermuteIterator ( const PermuteIterator & iter )

Definition at line 16 of file PermuteIterator.cc.

◆ PermuteIterator() [3/3]

CASM::PermuteIterator::PermuteIterator	(	SupercellSymInfo const &	_sym_info,
		Index	_factor_group_index,
		Index	_translation_index
	)

Definition at line 22 of file PermuteIterator.cc.

Member Function Documentation

◆ begin_next_fg_op()

PermuteIterator CASM::PermuteIterator::begin_next_fg_op ( ) const

Iterator to next beginning of next factor group operation skipping all of the intervening operations that differ only by a translation

Definition at line 175 of file PermuteIterator.cc.

◆ combined_permute()

Permutation CASM::PermuteIterator::combined_permute ( ) const

Returns the combination of factor_group permutation and translation permutation

Definition at line 43 of file PermuteIterator.cc.

◆ eq_impl() [1/2]

template<typename Base >

bool notstd::Comparisons< Base >::eq_impl ( const MostDerived & B ) const

inlineprotectedinherited

Definition at line 40 of file Comparisons.hh.

◆ eq_impl() [2/2]

bool CASM::PermuteIterator::eq_impl ( const PermuteIterator & iter ) const

private

Definition at line 133 of file PermuteIterator.cc.

◆ factor_group()

SymGroup const & CASM::PermuteIterator::factor_group ( ) const

Reference the SupercellSymInfo::factor_group()

Reference the supercell factor group (SupercellSymInfo::factor_group())

Definition at line 53 of file PermuteIterator.cc.

◆ factor_group_index()

Index CASM::PermuteIterator::factor_group_index ( ) const

Return the supercell factor group index.

Return the supercell factor group index

Index into SupercellSymInfo::factor_group() of the factor group op being pointed at

Definition at line 61 of file PermuteIterator.cc.

◆ factor_group_permute()

const Permutation & CASM::PermuteIterator::factor_group_permute ( ) const

Return the factor group permutation being pointed at.

Definition at line 80 of file PermuteIterator.cc.

◆ global_dof_rep()

SymOpRepresentation const & CASM::PermuteIterator::global_dof_rep ( DoFKey const & _key ) const

Returns representation of current operation corresponding to global DoF specified by _key

Definition at line 106 of file PermuteIterator.cc.

◆ inverse()

PermuteIterator CASM::PermuteIterator::inverse ( ) const

Definition at line 184 of file PermuteIterator.cc.

◆ is_compatible()

bool CASM::PermuteIterator::is_compatible ( const PermuteIterator & other_permute_iterator ) const

inline

Returns true if the two PermuteIterators share the same instance of sym_info. This is meant to be used if you want to check that a particular range of PermuteIterators are referring to the same supercell, to ensure your iterating over a consistent set of permutations.

Definition at line 152 of file PermuteIterator.hh.

◆ local_dof_rep()

SymOpRepresentation const & CASM::PermuteIterator::local_dof_rep	(	DoFKey const &	_key,
		Index	b
	)		const

Returns representation of current operation corresponding to local DoF specified by _key on sublattice b

Definition at line 99 of file PermuteIterator.cc.

◆ ne_impl()

template<typename Base >

bool notstd::Comparisons< Base >::ne_impl ( const MostDerived & B ) const

inlineprotectedinherited

Definition at line 44 of file Comparisons.hh.

◆ occ_rep()

SymOpRepresentation const & CASM::PermuteIterator::occ_rep ( Index b ) const

Returns representation of current operation corresponding to species transformation on sublattice b

Definition at line 93 of file PermuteIterator.cc.

◆ operator!=()

template<typename Base >

bool notstd::Comparisons< Base >::operator!= ( const MostDerived & B ) const

inlineinherited

Definition at line 37 of file Comparisons.hh.

◆ operator*() [1/2]

const PermuteIterator & CASM::PermuteIterator::operator* ( ) const

Returns a reference to this.

Returns a reference to this – allows PermuteIterator to be treated as an iterator to PermuteIterator object

Definition at line 36 of file PermuteIterator.cc.

◆ operator*() [2/2]

PermuteIterator CASM::PermuteIterator::operator* ( const PermuteIterator & RHS ) const

Return the PermuteIterator product (equivalent to first applying RHS and then applying *this).

Definition at line 206 of file PermuteIterator.cc.

◆ operator++() [1/2]

PermuteIterator & CASM::PermuteIterator::operator++ ( )

Definition at line 142 of file PermuteIterator.cc.

◆ operator++() [2/2]

PermuteIterator CASM::PermuteIterator::operator++ ( int )

Definition at line 152 of file PermuteIterator.cc.

◆ operator--() [1/2]

PermuteIterator & CASM::PermuteIterator::operator-- ( )

Definition at line 159 of file PermuteIterator.cc.

◆ operator--() [2/2]

PermuteIterator CASM::PermuteIterator::operator-- ( int )

Definition at line 169 of file PermuteIterator.cc.

◆ operator->()

const PermuteIterator * CASM::PermuteIterator::operator-> ( ) const

Returns a pointer to this.

Returns a pointer to this – allows PermuteIterator to be treated as an iterator to PermuteIterator object

Definition at line 39 of file PermuteIterator.cc.

◆ operator<()

bool CASM::PermuteIterator::operator< ( const PermuteIterator & iter ) const

Definition at line 126 of file PermuteIterator.cc.

◆ operator<=()

template<typename Base >

bool notstd::Comparisons< Base >::operator<= ( const MostDerived & B ) const

inlineinherited

Definition at line 31 of file Comparisons.hh.

◆ operator=()

PermuteIterator & CASM::PermuteIterator::operator= ( PermuteIterator iter )

Definition at line 30 of file PermuteIterator.cc.

◆ operator==()

template<typename Base >

bool notstd::Comparisons< Base >::operator== ( const MostDerived & B ) const

inlineinherited

Definition at line 35 of file Comparisons.hh.

◆ operator>()

template<typename Base >

bool notstd::Comparisons< Base >::operator> ( const MostDerived & B ) const

inlineinherited

Definition at line 29 of file Comparisons.hh.

◆ operator>=()

template<typename Base >

bool notstd::Comparisons< Base >::operator>= ( const MostDerived & B ) const

inlineinherited

Definition at line 33 of file Comparisons.hh.

◆ permute_ind()

Index CASM::PermuteIterator::permute_ind ( Index i ) const

Index-wise permutation defined via: after_permutation[i] = before_permutation[permute_iterator.permute_ind(i)];

Definition at line 122 of file PermuteIterator.cc.

◆ prim_factor_group_index()

Index CASM::PermuteIterator::prim_factor_group_index ( ) const

Return the prim factor group index.

Return the prim factor group index

Index into Structure::factor_group() of the factor group op being pointed at

Definition at line 69 of file PermuteIterator.cc.

◆ sym_info()

SupercellSymInfo const & CASM::PermuteIterator::sym_info ( ) const

Reference the SupercellSymInfo containing the operations being pointed at.

Definition at line 48 of file PermuteIterator.cc.

◆ sym_op()

SymOp CASM::PermuteIterator::sym_op ( ) const

gets the SymOp for the current operation, defined by translation_op[trans_index]*factor_group_op[fg_index] i.e, equivalent to application of the factor group operation, FOLLOWED BY application of the translation operation

Definition at line 111 of file PermuteIterator.cc.

◆ translation_index()

Index CASM::PermuteIterator::translation_index ( ) const

Return the index into the supercell translation permutations.

Return the index into the supercell translation permutations

Index into SupercellSymInfo::translation_permutations() of the translation being pointed at

Definition at line 77 of file PermuteIterator.cc.

◆ translation_permute()

const Permutation & CASM::PermuteIterator::translation_permute ( ) const

Return the translation permutation being pointed at.

Definition at line 87 of file PermuteIterator.cc.

Friends And Related Function Documentation

◆ swap

void swap	(	PermuteIterator &	a,
		PermuteIterator &	b
	)

friend

Definition at line 315 of file PermuteIterator.cc.

Member Data Documentation

◆ Comparisons< CRTPBase< PermuteIterator > >

friend CASM::PermuteIterator::Comparisons< CRTPBase< PermuteIterator > >

private

Definition at line 157 of file PermuteIterator.hh.

◆ m_factor_group_index

Index CASM::PermuteIterator::m_factor_group_index

private

Definition at line 52 of file PermuteIterator.hh.

◆ m_sym_info

SupercellSymInfo const* CASM::PermuteIterator::m_sym_info

private

Definition at line 46 of file PermuteIterator.hh.

◆ m_trans_permute

std::vector<Permutation> const* CASM::PermuteIterator::m_trans_permute

private

Pointer to the vector<Permutation> of translation permutations inside of m_sym_info (to provide faster access)

Definition at line 50 of file PermuteIterator.hh.

◆ m_translation_index

Index CASM::PermuteIterator::m_translation_index

private

Definition at line 53 of file PermuteIterator.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/symmetry/PermuteIterator.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/symmetry/PermuteIterator.cc

Detailed Description

Public Types

Public Member Functions

Protected Member Functions

Private Member Functions

Private Attributes

Friends

Member Typedef Documentation

◆ MostDerived

Constructor & Destructor Documentation

◆ PermuteIterator() [1/3]

◆ PermuteIterator() [2/3]

◆ PermuteIterator() [3/3]

Member Function Documentation

◆ begin_next_fg_op()

◆ combined_permute()

◆ eq_impl() [1/2]

◆ eq_impl() [2/2]

◆ factor_group()

◆ factor_group_index()

◆ factor_group_permute()

◆ global_dof_rep()

◆ inverse()

◆ is_compatible()

◆ local_dof_rep()

◆ ne_impl()

◆ occ_rep()

◆ operator!=()

◆ operator*() [1/2]

◆ operator*() [2/2]

◆ operator++() [1/2]

◆ operator++() [2/2]

◆ operator--() [1/2]

◆ operator--() [2/2]

◆ operator->()

◆ operator<()

◆ operator<=()

◆ operator=()

◆ operator==()

◆ operator>()

◆ operator>=()

◆ permute_ind()

◆ prim_factor_group_index()

◆ sym_info()

◆ sym_op()

◆ translation_index()

◆ translation_permute()

Friends And Related Function Documentation

◆ swap

Member Data Documentation

◆ Comparisons< CRTPBase< PermuteIterator > >

◆ m_factor_group_index

◆ m_sym_info

◆ m_trans_permute

◆ m_translation_index