#include <SymPermutation.hh>

Inheritance diagram for CASM::SymPermutation:

Detailed Description

SymPermutation describes how a symmetry operation permutes a list of 'things' For example, Coordinates in a Cluster, basis atoms in a Structure, Clusters in an Orbit, etc.

Definition at line 26 of file SymPermutation.hh.

Public Member Functions
template<typename Iterator >
	SymPermutation (Iterator begin, Iterator end)

	SymPermutation (const std::vector< Index > &init_permute)

	SymPermutation (const Permutation &init_permute)

double	character () const override
	Calculates character of the representation (if well-defined) More...

SymOpRepresentation *	copy () const override
	Return pointer to a copy of this SymPermutation. More...

Permutation const *	permutation () const override
	Access the permutation array 'm_permute'. More...

Eigen::MatrixXd const *	MatrixXd () const override
	Access the permutation matrix. More...

virtual SymBasisPermute const *	ucc_permutation () const

std::unique_ptr< SymOpRepresentation >	inverse () const

SymOpRepresentation const &	representation (SymGroupRepID _rep_ID) const

Eigen::MatrixXd const *	get_matrix_rep (SymGroupRepID _rep_ID) const
	get pointer to matrix representation corresponding to rep_ID More...

Permutation const *	get_permutation_rep (SymGroupRepID _rep_ID) const
	get pointer to permutation representation corresponding to _rep_ID More...

SymBasisPermute const *	get_basis_permute_rep (SymGroupRepID _rep_ID) const
	get pointer to BasisPermute representation corresponding to _rep_ID More...

Array< Eigen::MatrixXd const * >	get_matrix_reps (Array< SymGroupRepID > _rep_IDs) const

void	set_rep (SymGroupRepID _rep_ID, const SymOpRepresentation &op_rep) const
	set representation for SymOp corresponding to _rep_ID More...

void	set_identifiers (const MasterSymGroup &new_group, SymGroupRepID new_rep_ID)
	Change m_master_group and determine op_index. More...

void	set_identifiers (const MasterSymGroup &new_group, SymGroupRepID new_rep_ID, Index new_op_index)
	Set m_master_group, _rep_ID, and op_index. More...

const MasterSymGroup &	master_group () const
	const access of head group More...

bool	has_valid_master () const
	check if this representation is registered with a MasterSymGroup More...

void	invalidate_index ()

Index	index () const

Index	master_group_index () const
	Index of this operation within the master_group. More...

SymGroupRepID	rep_ID () const

Index	ind_inverse () const

Index	ind_prod (const SymOpRepresentation &RHS) const

Protected Member Functions
SymOpRepresentation *	inverse_impl () const override

virtual void	_set_integral_tau ()

Protected Attributes
MasterSymGroup const *	m_master_group
	Pointer to the MasterSymGroup where prototype of this SymOp lives. More...

SymGroupRepID	m_rep_ID

Index	m_op_index
	Index into MasterSymGroup that specifies the operation. More...

Private Member Functions
void	_calc_mat () const
	Generate the matrix of permutation, when m_permute is known. More...

Private Attributes
Permutation	m_permute

bool	m_has_mat

Eigen::MatrixXd	m_mat

Constructor & Destructor Documentation

◆ SymPermutation() [1/3]

template<typename Iterator >

CASM::SymPermutation::SymPermutation	(	Iterator	begin,
		Iterator	end
	)

inline

Initialize a SymPermutation with the permutation array. The corresponding matrix is generated automatically

Definition at line 31 of file SymPermutation.hh.

◆ SymPermutation() [2/3]

CASM::SymPermutation::SymPermutation ( const std::vector< Index > & init_permute )

inline

Initialize a SymPermutation with the permutation array. The corresponding matrix is generated automatically

Definition at line 36 of file SymPermutation.hh.

◆ SymPermutation() [3/3]

CASM::SymPermutation::SymPermutation ( const Permutation & init_permute )

inline

Initialize a SymPermutation with the permutation array. The corresponding matrix is generated automatically

Definition at line 41 of file SymPermutation.hh.

Member Function Documentation

◆ _calc_mat()

void CASM::SymPermutation::_calc_mat ( ) const

private

Generate the matrix of permutation, when m_permute is known.

Definition at line 24 of file SymPermutation.cc.

◆ _set_integral_tau()

virtual void CASM::SymOpRepresentation::_set_integral_tau ( )

inlineprotectedvirtualinherited

Reimplemented in CASM::SymOp.

Definition at line 130 of file SymOpRepresentation.hh.

◆ character()

double CASM::SymPermutation::character ( ) const

overridevirtual

Calculates character of the representation (if well-defined)

Reimplemented from CASM::SymOpRepresentation.

Definition at line 8 of file SymPermutation.cc.

◆ copy()

SymOpRepresentation* CASM::SymPermutation::copy ( ) const

inlineoverridevirtual

Return pointer to a copy of this SymPermutation.

Implements CASM::SymOpRepresentation.

Definition at line 47 of file SymPermutation.hh.

◆ get_basis_permute_rep()

SymBasisPermute const * CASM::SymOpRepresentation::get_basis_permute_rep ( SymGroupRepID _rep_ID ) const

inherited

get pointer to BasisPermute representation corresponding to _rep_ID

Definition at line 36 of file SymOpRepresentation.cc.

◆ get_matrix_rep()

Eigen::MatrixXd const * CASM::SymOpRepresentation::get_matrix_rep ( SymGroupRepID _rep_ID ) const

inherited

get pointer to matrix representation corresponding to rep_ID

Definition at line 28 of file SymOpRepresentation.cc.

◆ get_matrix_reps()

Array< Eigen::MatrixXd const * > CASM::SymOpRepresentation::get_matrix_reps ( Array< SymGroupRepID > _rep_IDs ) const

inherited

get array of pointers to matrix representations for representations corresponding to _rep_IDs

Definition at line 51 of file SymOpRepresentation.cc.

◆ get_permutation_rep()

Permutation const * CASM::SymOpRepresentation::get_permutation_rep ( SymGroupRepID _rep_ID ) const

inherited

get pointer to permutation representation corresponding to _rep_ID

Definition at line 43 of file SymOpRepresentation.cc.

◆ has_valid_master()

bool CASM::SymOpRepresentation::has_valid_master ( ) const

inlineinherited

check if this representation is registered with a MasterSymGroup

Definition at line 91 of file SymOpRepresentation.hh.

◆ ind_inverse()

Index CASM::SymOpRepresentation::ind_inverse ( ) const

inherited

Get the operation index of the inverse of this operation, using the master_group's multiplication table

Definition at line 101 of file SymOpRepresentation.cc.

◆ ind_prod()

Index CASM::SymOpRepresentation::ind_prod ( const SymOpRepresentation & RHS ) const

inherited

Get the operation index of operation that is the product of this operation and

Parameters

RHS,using the master_group's multiplication table

Definition at line 110 of file SymOpRepresentation.cc.

◆ index()

Index CASM::SymOpRepresentation::index ( ) const

inlineinherited

Index of this operation within the master_group (equivalent to master_group_index)

Definition at line 97 of file SymOpRepresentation.hh.

◆ invalidate_index()

void CASM::SymOpRepresentation::invalidate_index ( )

inlineinherited

Definition at line 93 of file SymOpRepresentation.hh.

◆ inverse()

std::unique_ptr< SymOpRepresentation > CASM::SymOpRepresentation::inverse ( ) const

inherited

Definition at line 12 of file SymOpRepresentation.cc.

◆ inverse_impl()

SymOpRepresentation* CASM::SymPermutation::inverse_impl ( ) const

inlineoverrideprotectedvirtual

Reimplemented from CASM::SymOpRepresentation.

Definition at line 61 of file SymPermutation.hh.

◆ master_group()

const MasterSymGroup& CASM::SymOpRepresentation::master_group ( ) const

inlineinherited

const access of head group

Definition at line 85 of file SymOpRepresentation.hh.

◆ master_group_index()

Index CASM::SymOpRepresentation::master_group_index ( ) const

inlineinherited

Index of this operation within the master_group.

Definition at line 100 of file SymOpRepresentation.hh.

◆ MatrixXd()

Eigen::MatrixXd const* CASM::SymPermutation::MatrixXd ( ) const

inlineoverridevirtual

Access the permutation matrix.

Reimplemented from CASM::SymOpRepresentation.

Definition at line 55 of file SymPermutation.hh.

◆ permutation()

Permutation const* CASM::SymPermutation::permutation ( ) const

inlineoverridevirtual

Access the permutation array 'm_permute'.

Reimplemented from CASM::SymOpRepresentation.

Definition at line 52 of file SymPermutation.hh.

◆ rep_ID()

SymGroupRepID CASM::SymOpRepresentation::rep_ID ( ) const

inlineinherited

ID of representation that this operation belongs to within the master_group

Definition at line 104 of file SymOpRepresentation.hh.

◆ representation()

SymOpRepresentation const & CASM::SymOpRepresentation::representation ( SymGroupRepID _rep_ID ) const

inherited

Definition at line 21 of file SymOpRepresentation.cc.

◆ set_identifiers() [1/2]

void CASM::SymOpRepresentation::set_identifiers	(	const MasterSymGroup &	new_group,
		SymGroupRepID	new_rep_ID
	)

inherited

Change m_master_group and determine op_index.

Definition at line 69 of file SymOpRepresentation.cc.

◆ set_identifiers() [2/2]

void CASM::SymOpRepresentation::set_identifiers	(	const MasterSymGroup &	new_group,
		SymGroupRepID	new_rep_ID,
		Index	new_op_index
	)

inherited

Set m_master_group, _rep_ID, and op_index.

Definition at line 89 of file SymOpRepresentation.cc.

◆ set_rep()

void CASM::SymOpRepresentation::set_rep	(	SymGroupRepID	_rep_ID,
		const SymOpRepresentation &	op_rep
	)		const

inherited

set representation for SymOp corresponding to _rep_ID

Definition at line 61 of file SymOpRepresentation.cc.

◆ ucc_permutation()

virtual SymBasisPermute const* CASM::SymOpRepresentation::ucc_permutation ( ) const

inlinevirtualinherited

Reimplemented in CASM::SymBasisPermute.

Definition at line 53 of file SymOpRepresentation.hh.

Member Data Documentation

◆ m_has_mat

bool CASM::SymPermutation::m_has_mat

private

Definition at line 73 of file SymPermutation.hh.

◆ m_master_group

MasterSymGroup const* CASM::SymOpRepresentation::m_master_group

protectedinherited

Pointer to the MasterSymGroup where prototype of this SymOp lives.

Definition at line 133 of file SymOpRepresentation.hh.

◆ m_mat

Eigen::MatrixXd CASM::SymPermutation::m_mat

mutableprivate

Matrix of ones and zeroes that reorders elements of a vector Matrix is nxn, where 'n' is the number of things that are permuted

Definition at line 77 of file SymPermutation.hh.

◆ m_op_index

Index CASM::SymOpRepresentation::m_op_index

protectedinherited

Index into MasterSymGroup that specifies the operation.

Definition at line 140 of file SymOpRepresentation.hh.

◆ m_permute

Permutation CASM::SymPermutation::m_permute

private

Array of indices, of length 'n'. An index 'm_permute[j]' before application of symmetry resides at index 'j' after application of symmetry example: For an 'Array<THINGS> my_array', transforms as my_array.permute(m_permute);

Definition at line 70 of file SymPermutation.hh.

◆ m_rep_ID

SymGroupRepID CASM::SymOpRepresentation::m_rep_ID

protectedinherited

ID of this representation within the master_group. Default is uninitialized.

Definition at line 137 of file SymOpRepresentation.hh.

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

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

Detailed Description

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ SymPermutation() [1/3]

◆ SymPermutation() [2/3]

◆ SymPermutation() [3/3]

Member Function Documentation

◆ _calc_mat()

◆ _set_integral_tau()

◆ character()

◆ copy()

◆ get_basis_permute_rep()

◆ get_matrix_rep()

◆ get_matrix_reps()

◆ get_permutation_rep()

◆ has_valid_master()

◆ ind_inverse()

◆ ind_prod()

◆ index()

◆ invalidate_index()

◆ inverse()

◆ inverse_impl()

◆ master_group()

◆ master_group_index()

◆ MatrixXd()

◆ permutation()

◆ rep_ID()

◆ representation()

◆ set_identifiers() [1/2]

◆ set_identifiers() [2/2]

◆ set_rep()

◆ ucc_permutation()

Member Data Documentation

◆ m_has_mat

◆ m_master_group

◆ m_mat

◆ m_op_index

◆ m_permute

◆ m_rep_ID