#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 19 of file SymPermutation.hh.

Public Member Functions
	SymPermutation (const Array< 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 *	get_permutation () const override
	Access the permutation array 'm_permute'. More...

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

jsonParser &	to_json (jsonParser &json) const override

void	from_json (const jsonParser &json) override

virtual SymBasisPermute const *	get_ucc_permutation () 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
	get array of pointers to matrix representations for representations corresponding to _rep_IDs More...

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 of this operation within the master_group. More...

SymGroupRepID	rep_ID () const
	ID of representation that this operation belongs to within the master_group. More...

Index	ind_inverse () const
	Get the operation index of the inverse of this operation, using the master_group's multiplication table. More...

Index	ind_prod (const SymOpRepresentation &RHS) const

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

SymGroupRepID	m_rep_ID
	ID of this representation within the master_group. Default is uninitialized. More...

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

CASM::SymPermutation::SymPermutation ( const Array< Index > & init_permute )

inline

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

Definition at line 23 of file SymPermutation.hh.

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

inline

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

Definition at line 29 of file SymPermutation.hh.

Member Function Documentation

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.

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.

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

inlineoverridevirtual

Return pointer to a copy of this SymPermutation.

Implements CASM::SymOpRepresentation.

Definition at line 36 of file SymPermutation.hh.

void CASM::SymPermutation::from_json ( const jsonParser & json )

overridevirtual

re-throw exceptions

Implements CASM::SymOpRepresentation.

Definition at line 55 of file SymPermutation.cc.

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 16 of file SymOpRepresentation.cc.

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 9 of file SymOpRepresentation.cc.

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 29 of file SymOpRepresentation.cc.

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

inlineoverridevirtual

Access the permutation matrix.

Reimplemented from CASM::SymOpRepresentation.

Definition at line 46 of file SymPermutation.hh.

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

inlineoverridevirtual

Access the permutation array 'm_permute'.

Reimplemented from CASM::SymOpRepresentation.

Definition at line 41 of file SymPermutation.hh.

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

inherited

get pointer to permutation representation corresponding to _rep_ID

Definition at line 22 of file SymOpRepresentation.cc.

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

inlinevirtualinherited

Reimplemented in CASM::SymBasisPermute.

Definition at line 50 of file SymOpRepresentation.hh.

bool CASM::SymOpRepresentation::has_valid_master ( ) const

inlineinherited

check if this representation is registered with a MasterSymGroup

Definition at line 83 of file SymOpRepresentation.hh.

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 76 of file SymOpRepresentation.cc.

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 83 of file SymOpRepresentation.cc.

Index CASM::SymOpRepresentation::index ( ) const

inlineinherited

Index of this operation within the master_group.

Definition at line 92 of file SymOpRepresentation.hh.

void CASM::SymOpRepresentation::invalidate_index ( )

inlineinherited

Definition at line 87 of file SymOpRepresentation.hh.

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

inlineinherited

const access of head group

Definition at line 77 of file SymOpRepresentation.hh.

SymGroupRepID CASM::SymOpRepresentation::rep_ID ( ) const

inlineinherited

ID of representation that this operation belongs to within the master_group.

Definition at line 97 of file SymOpRepresentation.hh.

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 46 of file SymOpRepresentation.cc.

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 66 of file SymOpRepresentation.cc.

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 39 of file SymOpRepresentation.cc.

jsonParser & CASM::SymPermutation::to_json ( jsonParser & json ) const

overridevirtual

Implements CASM::SymOpRepresentation.

Definition at line 34 of file SymPermutation.cc.

Member Data Documentation

bool CASM::SymPermutation::m_has_mat

private

Definition at line 63 of file SymPermutation.hh.

MasterSymGroup const* CASM::SymOpRepresentation::m_master_group

protectedinherited

Pointer to the MasterSymGroup where prototype of this SymOp lives.

Definition at line 117 of file SymOpRepresentation.hh.

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 67 of file SymPermutation.hh.

Index CASM::SymOpRepresentation::m_op_index

protectedinherited

Index into MasterSymGroup that specifies the operation.

Definition at line 123 of file SymOpRepresentation.hh.

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 60 of file SymPermutation.hh.

SymGroupRepID CASM::SymOpRepresentation::m_rep_ID

protectedinherited

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

Definition at line 120 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 Attributes

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation