#include <SymGroupRep.hh>

Inheritance diagram for CASM::SymGroupRep:

Detailed Description

SymGroupRep is an alternative representation of a SymGroup for something other than real space. There is a one-to-one correspondence of SymOps in some SymGroup with the SymOpRepresentations in SymGroupRep SymGroupRep does not know or care about the specifics of what the SymOpRepresentations describe or how they are implemented.

Definition at line 30 of file SymGroupRep.hh.

Public Types
enum	NullInitializer { NO_HOME }

typedef SymGroupRepHandle	RemoteHandle

typedef Array < SymOpRepresentation * >	X1

typedef Array< X1 >	X2

typedef Array< X2 >	X3

typedef Array< X3 >	X4

typedef Array< X4 >	X5

typedef Array< X5 >	X6

typedef Array< X6 >	X7

typedef Array< X7 >	X8

typedef Array< X8 >	X9

typedef SymOpRepresentation *	value_type

typedef Index	size_type

typedef SymOpRepresentation **	iterator

typedef const SymOpRepresentation **	const_iterator

Public Member Functions
	SymGroupRep (SymGroupRep::NullInitializer init, Index _size)

	SymGroupRep (const SymGroup &_head, SymGroupRepID _rep_ID=SymGroupRepID())

	SymGroupRep (const SymGroupRep &RHS)

	~SymGroupRep ()

void	set_rep (const SymOpRepresentation &base_rep, const SymOpRepresentation &new_rep) const

void	set_rep (const SymOp &base_rep, const SymOpRepresentation &new_rep) const

void	set_rep (Index op_index, const SymOpRepresentation &new_rep) const

const MasterSymGroup &	master_group () const

bool	has_valid_master () const

void	set_master_group (const MasterSymGroup &master, const SymGroupRepID &_rep_ID)

SymGroupRepID	add_copy_to_master () const
	Adds copy of this representation its home_group. More...

SymGroupRep &	operator= (const SymGroupRep &RHS)

void	clear ()

SymGroupRep *	copy () const

void	print_permutation (std::ostream &stream) const

void	print_MatrixXd (std::ostream &stream) const

void	print_MatrixXd (std::ostream &stream, const SymGroup &subgroup) const

Eigen::MatrixXd	block_shape_matrix () const

Eigen::MatrixXd	block_shape_matrix (const SymGroup &subgroup) const

Index	num_blocks () const

Index	num_blocks (const SymGroup &subgroup) const

Eigen::MatrixXd const *	get_MatrixXd (Index i) const

Eigen::MatrixXd const *	get_MatrixXd (const SymOpRepresentation &) const

Permutation const *	get_permutation (Index i) const

Permutation const *	get_permutation (const SymOpRepresentation &) const

void	push_back_copy (const SymOpRepresentation &_pushed)

SymGroupRepID	get_ID () const

std::vector< Eigen::MatrixXd >	irreducible_wedges (const SymGroup &head_group, std::vector< Index > &multiplicities) const

multivector< Eigen::VectorXd > ::X< 3 >	calc_special_total_directions (const SymGroup &subgroup) const

ReturnArray< Array < Eigen::MatrixXd > >	calc_special_subspaces (const SymGroup &subgroup) const

ReturnArray< Index >	num_each_irrep () const

ReturnArray< Index >	num_each_irrep (const SymGroup &sub_group, bool verbose=false) const

ReturnArray< Index >	num_each_real_irrep (const SymGroup &subgroup, bool verbose=false) const

ReturnArray< SymGroupRepID >	get_irrep_IDs (const SymGroup &subgroup) const

bool	is_irrep () const

bool	is_irrep (const SymGroup &head_group) const

SymGroupRep	coord_transformed_copy (const Eigen::MatrixXd &trans_mat) const

SymGroupRep	symmetry_adapted_copy (const SymGroup &head_group) const

Eigen::MatrixXd	get_irrep_trans_mat (const SymGroup &head_group) const

Eigen::MatrixXd	get_irrep_trans_mat (const SymGroup &head_group, std::vector< std::vector< Index > > &subspaces) const

Eigen::MatrixXd	get_irrep_trans_mat_blind (const SymGroup &head_group) const

ReturnArray< Eigen::MatrixXd >	get_projection_operators () const

jsonParser &	to_json (jsonParser &json) const

void	from_json (const jsonParser &json)

Index	size () const

void	swap (Array< SymOpRepresentation * > &RHS)

SymOpRepresentation *&	at (Index ind)

const SymOpRepresentation *&	at (Index ind) const

const SymOpRepresentation *&	operator[] (Index ind) const

SymOpRepresentation *&	operator[] (Index ind)

SymOpRepresentation *&	back ()

const SymOpRepresentation *&	back () const

SymOpRepresentation const	begin () const

SymOpRepresentation **	begin ()

SymOpRepresentation const	cbegin () const

SymOpRepresentation const	end () const

SymOpRepresentation **	end ()

SymOpRepresentation const	cend () const

void	push_back (const SymOpRepresentation *&toPush)

void	pop_back ()

void	remove (Index ind)

void	resize (Index new_N)

void	resize (Index new_N, const SymOpRepresentation *&fill_val)

void	reserve (Index new_max)

void	sort (const CompareType &comp)

void	sort (Array< Index > &ind_order)

void	sort ()

Array &	append (const Array &new_tail)

Array &	append_unique (const Array &new_tail)

void	swap_elem (Index i, Index j)

Array &	permute (const Array< Index > &perm_array)

Array &	ipermute (const Array< Index > &perm_array)

bool	next_permute ()

ReturnArray< Index >	as_perm_inverse () const

ReturnArray< Index >	as_perm_transform_by (const Array< Index > &trans_perm) const

const SymOpRepresentation *&	max () const

const SymOpRepresentation *&	min () const

ReturnArray < SymOpRepresentation * >	sub_array (Index ind_begin, Index ind_end) const

SymOpRepresentation *	sum () const

bool	is_ascending () const

bool	is_descending () const

bool	is_constant () const

bool	is_permute () const

bool	has_fixed_points () const
	Checks whether any values are equal to their index – only valid for Array<Index> More...

bool	operator== (const Array< SymOpRepresentation * > &RHS) const

bool	operator!= (const Array< SymOpRepresentation * > &RHS) const

bool	operator< (const Array< SymOpRepresentation * > &RHS) const

bool	operator> (const Array< SymOpRepresentation * > &RHS) const

bool	operator<= (const Array< SymOpRepresentation * > &RHS) const

bool	operator>= (const Array< SymOpRepresentation * > &RHS) const

bool	all_in (const Array &superset) const

Index	coincidence (const Array &superset) const

Index	incidences (const SymOpRepresentation *&test_elem) const

Index	find (const SymOpRepresentation *&test_elem) const

Index	reverse_find (const SymOpRepresentation *&test_elem) const
	Same as find, but starts from the last element of the Array. More...

Index	almost_find (const SymOpRepresentation *&test_elem, double tol_val=TOL) const

Index	almost_reverse_find (const SymOpRepresentation *&test_elem, double tol_val=TOL) const
	Same as almost_find, but start from the last element of the Array. More...

bool	contains (const SymOpRepresentation *&test_elem) const

bool	almost_contains (const SymOpRepresentation *&test_elem, double tol_val=TOL) const

void	print_column (std::ostream &stream, const std::string &indent="") const

Static Public Member Functions
static ReturnArray < SymOpRepresentation * >	sequence (const SymOpRepresentation &initial, const SymOpRepresentation &final)
	Returns an array with the sequence (initial, ++initial, ..., final), inclusive. More...

static ReturnArray < SymOpRepresentation * >	sequence (const SymOpRepresentation &initial, const SymOpRepresentation &increment, const SymOpRepresentation *&final)

Private Member Functions
	SymGroupRep ()

	SymGroupRep (const MasterSymGroup *_home)
	Pointer version of constructor is private for internal construction of master-less representations. More...

void	calc_new_irreps (int max_iter=1000) const

void	calc_new_irreps (const SymGroup &sub_group, int max_iter=1000) const

ReturnArray< Array < Eigen::VectorXd > >	_calc_special_irrep_directions (const SymGroup &subgroup) const

Eigen::MatrixXd	_symmetrized_irrep_trans_mat (const SymGroup &subgroup) const

Private Attributes
SymGroupRepID	m_rep_ID
	rep_ID is unique identifier of a specific SymGroupRep instantiation More...

MasterSymGroup const *	m_master_group
	Pointer to the home_group that generated this SymGroupRep. More...

Member Typedef Documentation

typedef const SymOpRepresentation * * CASM::Array< SymOpRepresentation * >::const_iterator

inherited

Definition at line 76 of file Array.hh.

typedef SymOpRepresentation * * CASM::Array< SymOpRepresentation * >::iterator

inherited

Definition at line 75 of file Array.hh.

typedef SymGroupRepHandle CASM::SymGroupRep::RemoteHandle

Definition at line 32 of file SymGroupRep.hh.

typedef Index CASM::Array< SymOpRepresentation * >::size_type

inherited

Definition at line 74 of file Array.hh.

typedef SymOpRepresentation * CASM::Array< SymOpRepresentation * >::value_type

inherited

Definition at line 73 of file Array.hh.

typedef Array<SymOpRepresentation * > CASM::Array< SymOpRepresentation * >::X1

inherited

Definition at line 63 of file Array.hh.

typedef Array<X1> CASM::Array< SymOpRepresentation * >::X2

inherited

Definition at line 64 of file Array.hh.

typedef Array<X2> CASM::Array< SymOpRepresentation * >::X3

inherited

Definition at line 65 of file Array.hh.

typedef Array<X3> CASM::Array< SymOpRepresentation * >::X4

inherited

Definition at line 66 of file Array.hh.

typedef Array<X4> CASM::Array< SymOpRepresentation * >::X5

inherited

Definition at line 67 of file Array.hh.

typedef Array<X5> CASM::Array< SymOpRepresentation * >::X6

inherited

Definition at line 68 of file Array.hh.

typedef Array<X6> CASM::Array< SymOpRepresentation * >::X7

inherited

Definition at line 69 of file Array.hh.

typedef Array<X7> CASM::Array< SymOpRepresentation * >::X8

inherited

Definition at line 70 of file Array.hh.

typedef Array<X8> CASM::Array< SymOpRepresentation * >::X9

inherited

Definition at line 71 of file Array.hh.

Constructor & Destructor Documentation

CASM::SymGroupRep::SymGroupRep	(	SymGroupRep::NullInitializer	init,
		Index	_size
	)

inline

Use this constructor when MasterSymGroup is unknown or doesn't exist You must promise that you know what you're doing

Definition at line 38 of file SymGroupRep.hh.

CASM::SymGroupRep::SymGroupRep	(	const SymGroup &	_head,
		SymGroupRepID	_rep_ID = `SymGroupRepID()`
	)

inline

Definition at line 42 of file SymGroupRep.hh.

CASM::SymGroupRep::SymGroupRep ( const SymGroupRep & RHS )

Definition at line 14 of file SymGroupRep.cc.

CASM::SymGroupRep::~SymGroupRep ( )

Definition at line 21 of file SymGroupRep.cc.

CASM::SymGroupRep::SymGroupRep ( )

inlineprivate

Definition at line 166 of file SymGroupRep.hh.

CASM::SymGroupRep::SymGroupRep ( const MasterSymGroup * _home )

inlineprivate

Pointer version of constructor is private for internal construction of master-less representations.

Definition at line 175 of file SymGroupRep.hh.

Member Function Documentation

ReturnArray< Array< Eigen::VectorXd > > CASM::SymGroupRep::_calc_special_irrep_directions ( const SymGroup & subgroup ) const

private

Definition at line 471 of file SymGroupRep.cc.

Eigen::MatrixXd CASM::SymGroupRep::_symmetrized_irrep_trans_mat ( const SymGroup & subgroup ) const

private

Find a new coordinate system oriented along high-symmetry directions in vector space 'V' as determined by the subset of SymOpRepresentations specified by 'subgroup'. The ROWS of trans_mat are the new basis vectors in terms of the old such that new_symrep_matrix = trans_mat * old_symrep_matrix * trans_mat.transpose();

Definition at line 304 of file SymGroupRep.cc.

SymGroupRepID CASM::SymGroupRep::add_copy_to_master ( ) const

Adds copy of this representation its home_group.

Definition at line 123 of file SymGroupRep.cc.

bool CASM::Array< SymOpRepresentation * >::all_in ( const Array< SymOpRepresentation * > & superset ) const

inherited

bool CASM::Array< SymOpRepresentation * >::almost_contains	(	const SymOpRepresentation * &	test_elem,
		double	tol_val = `TOL`
	)		const

inlineinherited

Definition at line 284 of file Array.hh.

Index CASM::Array< SymOpRepresentation * >::almost_find	(	const SymOpRepresentation * &	test_elem,
		double	tol_val = `TOL`
	)		const

inherited

Index CASM::Array< SymOpRepresentation * >::almost_reverse_find	(	const SymOpRepresentation * &	test_elem,
		double	tol_val = `TOL`
	)		const

inherited

Same as almost_find, but start from the last element of the Array.

Array& CASM::Array< SymOpRepresentation * >::append ( const Array< SymOpRepresentation * > & new_tail )

inherited

Array& CASM::Array< SymOpRepresentation * >::append_unique ( const Array< SymOpRepresentation * > & new_tail )

inherited

ReturnArray<Index> CASM::Array< SymOpRepresentation * >::as_perm_inverse ( ) const

inherited

Construct permutation that undoes the permutation performed by 'this' Inverse operation is calculated the same, regardless of permutation convention

ReturnArray<Index> CASM::Array< SymOpRepresentation * >::as_perm_transform_by ( const Array< Index > & trans_perm ) const

inherited

Given N distinct objects labeled from 0 to N-1, a permutation 'P_permute' that physically permutes the objects (with labels) in terms of their labels, and a permutation 'L_permute' that permutes their labels only, rewrite 'P_permute' in terms of the relabeling induced by 'L_permute' Rearrange 'this' permutation to form an equivalent permutation for any list that has already been permuted by trans_perm. Does not (nearly certain of this) depend on permutation convention

SymOpRepresentation * & CASM::Array< SymOpRepresentation * >::at ( Index ind )

inlineinherited

Definition at line 157 of file Array.hh.

const SymOpRepresentation * & CASM::Array< SymOpRepresentation * >::at ( Index ind ) const

inlineinherited

Definition at line 162 of file Array.hh.

SymOpRepresentation * & CASM::Array< SymOpRepresentation * >::back ( )

inlineinherited

Definition at line 177 of file Array.hh.

const SymOpRepresentation * & CASM::Array< SymOpRepresentation * >::back ( ) const

inlineinherited

Definition at line 180 of file Array.hh.

SymOpRepresentation * const* CASM::Array< SymOpRepresentation * >::begin ( ) const

inlineinherited

Definition at line 185 of file Array.hh.

SymOpRepresentation * * CASM::Array< SymOpRepresentation * >::begin ( )

inlineinherited

Definition at line 192 of file Array.hh.

Eigen::MatrixXd CASM::SymGroupRep::block_shape_matrix ( ) const

Definition at line 180 of file SymGroupRep.cc.

Eigen::MatrixXd CASM::SymGroupRep::block_shape_matrix ( const SymGroup & subgroup ) const

Definition at line 193 of file SymGroupRep.cc.

void CASM::SymGroupRep::calc_new_irreps ( int max_iter = 1000 ) const

private

Definition at line 772 of file SymGroupRep.cc.

void CASM::SymGroupRep::calc_new_irreps	(	const SymGroup &	sub_group,
		int	max_iter = `1000`
	)		const

private

Definition at line 787 of file SymGroupRep.cc.

ReturnArray< Array< Eigen::MatrixXd > > CASM::SymGroupRep::calc_special_subspaces ( const SymGroup & subgroup ) const

Definition at line 568 of file SymGroupRep.cc.

multivector< Eigen::VectorXd >::X< 3 > CASM::SymGroupRep::calc_special_total_directions ( const SymGroup & head_group ) const

Returns array of orbits of high-symmetry directions in the vector space on which this representation is defined. defining: result = calc_special_directions(my_group) result[i][j] is a direction that is invariant to a subgroup of 'my_group' result[i][k] is a direction that is equivalent to result[i][j] For any result[i][j], -result[i][j] must also be a special direction, but the properties of the group determine whether it is in result[i] or in some other orbit result[l]. If, for a result[i][j], -result[i][j] is not among the special directions, it means that result[i][j] is a 1d irrep that is invariant to 'my_group' (the irreducible 'wedge' spans that entire axis). For a 2d irrep, the irreducible wedge must span <= one quadrant. For a 3d irrep, it must span <= one octant

Definition at line 415 of file SymGroupRep.cc.

SymOpRepresentation * const* CASM::Array< SymOpRepresentation * >::cbegin ( ) const

inlineinherited

Definition at line 189 of file Array.hh.

SymOpRepresentation * const* CASM::Array< SymOpRepresentation * >::cend ( ) const

inlineinherited

Definition at line 201 of file Array.hh.

void CASM::SymGroupRep::clear ( )

Definition at line 128 of file SymGroupRep.cc.

Index CASM::Array< SymOpRepresentation * >::coincidence ( const Array< SymOpRepresentation * > & superset ) const

inherited

bool CASM::Array< SymOpRepresentation * >::contains ( const SymOpRepresentation * & test_elem ) const

inlineinherited

Definition at line 281 of file Array.hh.

SymGroupRep CASM::SymGroupRep::coord_transformed_copy ( const Eigen::MatrixXd & trans_mat ) const

Make a copy of representation on vector space 'V' that is transformed into a representation on vector space 'W' 'trans_mat' is the unitary matrix that isomorphically maps 'V'->'W' (i.e., [w = trans_mat * v] and [v = trans_mat.transpose() * w] ) If the original representation to be transformed is just a temporary standalone SymGroupRep, be sure to delete it before falling out of scope

Definition at line 280 of file SymGroupRep.cc.

SymGroupRep* CASM::SymGroupRep::copy ( ) const

inline

Definition at line 83 of file SymGroupRep.hh.

SymOpRepresentation * const* CASM::Array< SymOpRepresentation * >::end ( ) const

inlineinherited

Definition at line 197 of file Array.hh.

SymOpRepresentation * * CASM::Array< SymOpRepresentation * >::end ( )

inlineinherited

Definition at line 204 of file Array.hh.

Index CASM::Array< SymOpRepresentation * >::find ( const SymOpRepresentation * & test_elem ) const

inherited

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

This allocates a new object to 'at(i)'.

Definition at line 1490 of file SymGroupRep.cc.

SymGroupRepID CASM::SymGroupRep::get_ID ( ) const

inline

Definition at line 113 of file SymGroupRep.hh.

ReturnArray< SymGroupRepID > CASM::SymGroupRep::get_irrep_IDs ( const SymGroup & subgroup ) const

Definition at line 747 of file SymGroupRep.cc.

Eigen::MatrixXd CASM::SymGroupRep::get_irrep_trans_mat ( const SymGroup & head_group ) const

Finds the transformation matrix that block-diagonalizes this representation into irrep blocks The ROWS of trans_mat are the new basis vectors in terms of the old such that new_symrep_matrix = trans_mat * old_symrep_matrix * trans_mat.transpose();

Definition at line 1018 of file SymGroupRep.cc.

Eigen::MatrixXd CASM::SymGroupRep::get_irrep_trans_mat	(	const SymGroup &	head_group,
		std::vector< std::vector< Index > > &	subspaces
	)		const

Finds the transformation matrix that block-diagonalizes this representation into irrep blocks The ROWS of trans_mat are the new basis vectors in terms of the old such that new_symrep_matrix = trans_mat * old_symrep_matrix * trans_mat.transpose(); Also populate 'subspaces' with lists of columns that form irreps

Definition at line 1029 of file SymGroupRep.cc.

Eigen::MatrixXd CASM::SymGroupRep::get_irrep_trans_mat_blind ( const SymGroup & head_group ) const

Definition at line 1157 of file SymGroupRep.cc.

Eigen::MatrixXd const * CASM::SymGroupRep::get_MatrixXd ( Index i ) const

Definition at line 253 of file SymGroupRep.cc.

Eigen::MatrixXd const * CASM::SymGroupRep::get_MatrixXd ( const SymOpRepresentation & op ) const

Definition at line 259 of file SymGroupRep.cc.

Permutation const * CASM::SymGroupRep::get_permutation ( Index i ) const

Definition at line 265 of file SymGroupRep.cc.

Permutation const * CASM::SymGroupRep::get_permutation ( const SymOpRepresentation & op ) const

Definition at line 271 of file SymGroupRep.cc.

ReturnArray< Eigen::MatrixXd > CASM::SymGroupRep::get_projection_operators ( ) const

Definition at line 1323 of file SymGroupRep.cc.

bool CASM::Array< SymOpRepresentation * >::has_fixed_points ( ) const

inherited

Checks whether any values are equal to their index – only valid for Array<Index>

bool CASM::SymGroupRep::has_valid_master ( ) const

inline

Definition at line 71 of file SymGroupRep.hh.

Index CASM::Array< SymOpRepresentation * >::incidences ( const SymOpRepresentation * & test_elem ) const

inherited

Array& CASM::Array< SymOpRepresentation * >::ipermute ( const Array< Index > & perm_array )

inherited

std::vector< Eigen::MatrixXd > CASM::SymGroupRep::irreducible_wedges	(	const SymGroup &	head_group,
		std::vector< Index > &	multiplicities
	)		const

Definition at line 442 of file SymGroupRep.cc.

bool CASM::Array< SymOpRepresentation * >::is_ascending ( ) const

inherited

bool CASM::Array< SymOpRepresentation * >::is_constant ( ) const

inherited

bool CASM::Array< SymOpRepresentation * >::is_descending ( ) const

inherited

bool CASM::SymGroupRep::is_irrep ( ) const

Definition at line 981 of file SymGroupRep.cc.

bool CASM::SymGroupRep::is_irrep ( const SymGroup & head_group ) const

Definition at line 998 of file SymGroupRep.cc.

bool CASM::Array< SymOpRepresentation * >::is_permute ( ) const

inherited

Checks that Array contains values from 0 to perm_array.size()-1 and that no value is repeated does not depend on definition of permutation convention

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

inline

Definition at line 66 of file SymGroupRep.hh.

const SymOpRepresentation * & CASM::Array< SymOpRepresentation * >::max ( ) const

inherited

const SymOpRepresentation * & CASM::Array< SymOpRepresentation * >::min ( ) const

inherited

bool CASM::Array< SymOpRepresentation * >::next_permute ( )

inherited

Index CASM::SymGroupRep::num_blocks ( ) const

Definition at line 207 of file SymGroupRep.cc.

Index CASM::SymGroupRep::num_blocks ( const SymGroup & subgroup ) const

Definition at line 226 of file SymGroupRep.cc.

ReturnArray< Index > CASM::SymGroupRep::num_each_irrep ( ) const

Definition at line 695 of file SymGroupRep.cc.

ReturnArray< Index > CASM::SymGroupRep::num_each_irrep	(	const SymGroup &	sub_group,
		bool	verbose = `false`
	)		const

Definition at line 706 of file SymGroupRep.cc.

ReturnArray< Index > CASM::SymGroupRep::num_each_real_irrep	(	const SymGroup &	subgroup,
		bool	verbose = `false`
	)		const

Definition at line 668 of file SymGroupRep.cc.

bool CASM::Array< SymOpRepresentation * >::operator!= ( const Array< SymOpRepresentation * > & RHS ) const

inlineinherited

Definition at line 260 of file Array.hh.

bool CASM::Array< SymOpRepresentation * >::operator< ( const Array< SymOpRepresentation * > & RHS ) const

inherited

bool CASM::Array< SymOpRepresentation * >::operator<= ( const Array< SymOpRepresentation * > & RHS ) const

inlineinherited

Definition at line 265 of file Array.hh.

SymGroupRep & CASM::SymGroupRep::operator= ( const SymGroupRep & RHS )

Definition at line 27 of file SymGroupRep.cc.

bool CASM::Array< SymOpRepresentation * >::operator== ( const Array< SymOpRepresentation * > & RHS ) const

inherited

bool CASM::Array< SymOpRepresentation * >::operator> ( const Array< SymOpRepresentation * > & RHS ) const

inherited

bool CASM::Array< SymOpRepresentation * >::operator>= ( const Array< SymOpRepresentation * > & RHS ) const

inlineinherited

Definition at line 268 of file Array.hh.

const SymOpRepresentation * & CASM::Array< SymOpRepresentation * >::operator[] ( Index ind ) const

inlineinherited

Definition at line 167 of file Array.hh.

SymOpRepresentation * & CASM::Array< SymOpRepresentation * >::operator[] ( Index ind )

inlineinherited

Definition at line 172 of file Array.hh.

Array& CASM::Array< SymOpRepresentation * >::permute ( const Array< Index > & perm_array )

inherited

void CASM::Array< SymOpRepresentation * >::pop_back ( )

inlineinherited

Definition at line 212 of file Array.hh.

void CASM::Array< SymOpRepresentation * >::print_column	(	std::ostream &	stream,
		const std::string &	indent = `""`
	)		const

inherited

void CASM::SymGroupRep::print_MatrixXd ( std::ostream & stream ) const

Definition at line 152 of file SymGroupRep.cc.

void CASM::SymGroupRep::print_MatrixXd	(	std::ostream &	stream,
		const SymGroup &	subgroup
	)		const

Definition at line 167 of file SymGroupRep.cc.

void CASM::SymGroupRep::print_permutation ( std::ostream & stream ) const

Definition at line 138 of file SymGroupRep.cc.

void CASM::Array< SymOpRepresentation * >::push_back ( const SymOpRepresentation * & toPush )

inherited

void CASM::SymGroupRep::push_back_copy ( const SymOpRepresentation & _pushed )

Definition at line 244 of file SymGroupRep.cc.

void CASM::Array< SymOpRepresentation * >::remove ( Index ind )

inherited

void CASM::Array< SymOpRepresentation * >::reserve ( Index new_max )

inherited

void CASM::Array< SymOpRepresentation * >::resize ( Index new_N )

inherited

void CASM::Array< SymOpRepresentation * >::resize	(	Index	new_N,
		const SymOpRepresentation * &	fill_val
	)

inherited

Index CASM::Array< SymOpRepresentation * >::reverse_find ( const SymOpRepresentation * & test_elem ) const

inherited

Same as find, but starts from the last element of the Array.

static ReturnArray<SymOpRepresentation * > CASM::Array< SymOpRepresentation * >::sequence	(	const SymOpRepresentation * &	initial,
		const SymOpRepresentation * &	final
	)

staticinherited

Returns an array with the sequence (initial, ++initial, ..., final), inclusive.

Returns an array with the sequence (initial, ++initial, ..., final), inclusive requires that operator<() and operator++() are defined on type T

static ReturnArray<SymOpRepresentation * > CASM::Array< SymOpRepresentation * >::sequence	(	const SymOpRepresentation * &	initial,
		const SymOpRepresentation * &	increment,
		const SymOpRepresentation * &	final
	)

staticinherited

Returns an array with the sequence (initial, initial+increment, ..., final?), inclusive if final is in the sequence requires that operator<() and operator+=() are defined on type T

Returns an array with the sequence (initial, initial+increment, ..., final?), inclusive if final is in the sequence

void CASM::SymGroupRep::set_master_group	(	const MasterSymGroup &	master,
		const SymGroupRepID &	_rep_ID
	)

Definition at line 43 of file SymGroupRep.cc.

void CASM::SymGroupRep::set_rep	(	const SymOpRepresentation &	base_rep,
		const SymOpRepresentation &	new_rep
	)		const

SPECIAL METHOD: const, but it modifies symop representation 'i', after performing appropriate checks. Do not refer to this as an example of how to write mutators. Critical Failure if symop representation 'i' is already initialized

Definition at line 82 of file SymGroupRep.cc.

void CASM::SymGroupRep::set_rep	(	const SymOp &	base_rep,
		const SymOpRepresentation &	new_rep
	)		const

Definition at line 65 of file SymGroupRep.cc.

void CASM::SymGroupRep::set_rep	(	Index	op_index,
		const SymOpRepresentation &	new_rep
	)		const

Definition at line 102 of file SymGroupRep.cc.

Index CASM::Array< SymOpRepresentation * >::size ( ) const

inlineinherited

Definition at line 145 of file Array.hh.

void CASM::Array< SymOpRepresentation * >::sort ( const CompareType & comp )

inherited

void CASM::Array< SymOpRepresentation * >::sort ( Array< Index > & ind_order )

inherited

void CASM::Array< SymOpRepresentation * >::sort ( )

inherited

ReturnArray<SymOpRepresentation * > CASM::Array< SymOpRepresentation * >::sub_array	(	Index	ind_begin,
		Index	ind_end
	)		const

inherited

SymOpRepresentation * CASM::Array< SymOpRepresentation * >::sum ( ) const

inherited

void CASM::Array< SymOpRepresentation * >::swap ( Array< SymOpRepresentation * > & RHS )

inherited

void CASM::Array< SymOpRepresentation * >::swap_elem	(	Index	i,
		Index	j
	)

inlineinherited

Definition at line 231 of file Array.hh.

SymGroupRep CASM::SymGroupRep::symmetry_adapted_copy ( const SymGroup & head_group ) const

inline

Make copy of (*this) that is transformed so that axes are oriented along high-symmetry direction and confined to subspaces that transform as irreps.

Definition at line 137 of file SymGroupRep.hh.

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

Definition at line 1347 of file SymGroupRep.cc.

Member Data Documentation

MasterSymGroup const* CASM::SymGroupRep::m_master_group

private

Pointer to the home_group that generated this SymGroupRep.

Definition at line 164 of file SymGroupRep.hh.

SymGroupRepID CASM::SymGroupRep::m_rep_ID

mutableprivate

rep_ID is unique identifier of a specific SymGroupRep instantiation

Definition at line 161 of file SymGroupRep.hh.

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

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

Detailed Description

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