#include <BasisSet.hh>

Inheritance diagram for CASM::BasisSet:

Detailed Description

Definition at line 26 of file BasisSet.hh.

Public Types
typedef Array< Index >	SubBasis

typedef std::pair< SubBasis, Index >	PolyConstraint

Public Member Functions
	BasisSet (const std::string &name="")

	BasisSet (const BasisSet &init_basis)

const BasisSet &	operator= (const BasisSet &RHS)

	~BasisSet ()

void	clear ()

const std::string &	name () const

SymGroupRepID	basis_symrep_ID () const

Index	max_poly_order () const

Index	min_poly_order () const

const Array< PolyConstraint > &	min_poly_constraints () const

const Array< PolyConstraint > &	max_poly_constraints () const

BasisSet	poly_quotient_set (const Function *divisor) const

std::shared_ptr< BasisSet >	shared_copy () const

Function const *	operator[] (Index i) const

Function const *	back () const

const double &	eval_cache (Index i) const

const double &	deval_cache (Index i) const

bool	compare (const BasisSet &RHS) const

int	dependency_layer () const

void	clear_formulae ()

void	set_name (const std::string &new_name)

void	set_basis_symrep_ID (SymGroupRepID new_ID)

void	add_min_poly_constraint (const Array< Index > &expons, Index expon_sum)

void	add_max_poly_constraint (const Array< Index > &expons, Index expon_sum)

bool	satisfies_exponent_constraints (const Array< Index > &expons) const

bool	accept (const FunctionVisitor &visitor)

void	remote_eval_and_add_to (Array< double > &cumulant) const
	Remotely evaluate each basis function and add it to the respective value in cumulant. More...

void	remote_deval_and_add_to (Array< double > &cumulant, const DoF::RemoteHandle &dvar) const
	Remotely evaluate derivative of each basis function (w.r.t. dvar) and add it to the respective value in cumulant. More...

template<typename IteratorType >
void	remote_eval_to (IteratorType result_begin, IteratorType result_end) const
	Remotely evaluate each basis function and add it to the respective value in cumulant. More...

template<typename IteratorType >
void	remote_deval_to (IteratorType result_begin, IteratorType result_end, const DoF::RemoteHandle &dvar) const
	Remotely evaluate derivative of each basis function (w.r.t. dvar) and add it to the respective value in cumulant. More...

void	set_variable_basis (const Array< ContinuousDoF > &tvar_compon, SymGroupRepID _sym_rep_ID)
	Define the basis set to contain only variables (e.g., x,y,z) More...

void	set_dof_IDs (const Array< Index > &new_IDs)

const Array< Index > &	dof_IDs () const

const SubBasis &	dof_sub_basis (Index i) const

const Array< SubBasis > &	dof_sub_bases () const

std::vector< std::set< Index > >	independent_sub_bases () const

int	register_remotes (const std::string &dof_name, const Array< DoF::RemoteHandle > &remote_handles)

void	append (const BasisSet &RHS)

void	construct_polynomials_by_order (const Array< BasisSet const * > &tsubs, Index order)

void	construct_orthonormal_discrete_functions (const DiscreteDoF &allowed_occs, const Eigen::MatrixXd &gram_mat, Index basis_ind, const SymGroup &symgroup)

void	construct_orthonormal_discrete_functions (const DiscreteDoF &allowed_occs, const Array< double > &occ_probs, Index basis_ind, const SymGroup &symgroup)

void	construct_invariant_polynomials (const Array< BasisSet const * > &tsubs, const SymGroup &head_sym_group, Index order, Index min_dof_order=1)

void	calc_invariant_functions (const SymGroup &head_sym_group)

bool	is_normal_basis_for (const SymGroup &head_sym_group)

BasisSet	calc_normal_basis (const SymGroup &head_sym_group, Eigen::MatrixXd &trans_mat) const

BasisSet	transform_copy (const Eigen::MatrixXd &trans_mat) const

BasisSet &	apply_sym (const SymOp &op, int dependency_layer=1)

bool	Gram_Schmidt ()

bool	Gaussian_Elim ()

void	get_symmetry_representation (const SymGroup &head_sym_group) const

bool	make_orthogonal_to (Function const *ortho_func)

bool	make_orthogonal_to (const BasisSet &ortho_basis)

jsonParser &	to_json (jsonParser &json) const

void	from_json (const jsonParser &json)

Private Types
typedef Array< Function * >	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 Function *	value_type

typedef Index	size_type

typedef Function **	iterator

typedef const Function **	const_iterator

Private Member Functions
void	push_back (Function *new_func)

Function *	_back ()

Function *&	_at (Index i)

void	_refresh_ID ()

void	_eval_to_cache () const
	Remotely evaluate each basis function and add it to the respective value in cumulant. More...

void	_deval_to_cache (const DoF::RemoteHandle &_dvar) const
	Remotely evaluate each basis function and add it to the respective value in cumulant. More...

Function *	_linear_combination (const Eigen::VectorXd &coeffs) const

void	_set_arguments (const Array< BasisSet const * > &new_args)

void	_set_arguments (const std::vector< std::shared_ptr< BasisSet > > &new_args)

void	_update_dof_IDs (const Array< Index > before_IDs, const Array< Index > &after_IDs)

Array< PolyConstraint > &	_min_poly_constraints ()

Array< PolyConstraint > &	_max_poly_constraints ()

Index	size () const

void	swap (Array< Function * > &RHS)

Function *&	at (Index ind)

const Function *&	at (Index ind) const

Function *&	operator[] (Index ind)

Function *&	back ()

Function const	begin () const

Function **	begin ()

Function const	cbegin () const

Function const	end () const

Function **	end ()

Function const	cend () const

void	push_back (const Function *&toPush)

void	pop_back ()

void	remove (Index ind)

void	resize (Index new_N)

void	resize (Index new_N, const Function *&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 Function *&	max () const

const Function *&	min () const

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

Function *	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< Function * > &RHS) const

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

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

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

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

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

bool	all_in (const Array &superset) const

Index	coincidence (const Array &superset) const

Index	incidences (const Function *&test_elem) const

Index	find (const Function *&test_elem) const

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

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

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

bool	contains (const Function *&test_elem) const

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

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

Static Private Member Functions
static Index	_new_ID ()

static ReturnArray< Function * >	sequence (const Function &initial, const Function &final)
	Returns an array with the sequence (initial, ++initial, ..., final), inclusive. More...

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

Private Attributes
SymGroupRepID	m_basis_symrep_ID

std::string	m_name

Index	m_basis_ID

std::vector< std::shared_ptr < BasisSet > >	m_argument

Index	m_min_poly_order

Index	m_max_poly_order

Array< Index >	m_dof_IDs

Array< SubBasis >	m_dof_subbases

Array< PolyConstraint >	m_min_poly_constraints

Array< PolyConstraint >	m_max_poly_constraints

std::vector< double >	m_eval_cache

std::vector< double >	m_deval_cache

Member Typedef Documentation

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

inherited

Definition at line 76 of file Array.hh.

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

inherited

Definition at line 75 of file Array.hh.

typedef std::pair<SubBasis, Index> CASM::BasisSet::PolyConstraint

Definition at line 29 of file BasisSet.hh.

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

inherited

Definition at line 74 of file Array.hh.

typedef Array<Index> CASM::BasisSet::SubBasis

Definition at line 28 of file BasisSet.hh.

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

inherited

Definition at line 73 of file Array.hh.

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

inherited

Definition at line 63 of file Array.hh.

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

inherited

Definition at line 64 of file Array.hh.

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

inherited

Definition at line 65 of file Array.hh.

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

inherited

Definition at line 66 of file Array.hh.

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

inherited

Definition at line 67 of file Array.hh.

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

inherited

Definition at line 68 of file Array.hh.

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

inherited

Definition at line 69 of file Array.hh.

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

inherited

Definition at line 70 of file Array.hh.

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

inherited

Definition at line 71 of file Array.hh.

Constructor & Destructor Documentation

CASM::BasisSet::BasisSet ( const std::string & name = "" )

inline

Definition at line 35 of file BasisSet.hh.

CASM::BasisSet::BasisSet ( const BasisSet & init_basis )

Definition at line 26 of file BasisSet.cc.

CASM::BasisSet::~BasisSet ( )

Definition at line 95 of file BasisSet.cc.

Member Function Documentation

Function*& CASM::BasisSet::_at ( Index i )

inlineprivate

Definition at line 247 of file BasisSet.hh.

Function* CASM::BasisSet::_back ( )

inlineprivate

Definition at line 242 of file BasisSet.hh.

void CASM::BasisSet::_deval_to_cache ( const DoF::RemoteHandle & _dvar ) const

private

Remotely evaluate each basis function and add it to the respective value in cumulant.

Definition at line 282 of file BasisSet.cc.

void CASM::BasisSet::_eval_to_cache ( ) const

private

Remotely evaluate each basis function and add it to the respective value in cumulant.

Definition at line 277 of file BasisSet.cc.

Function * CASM::BasisSet::_linear_combination ( const Eigen::VectorXd & coeffs ) const

private

Definition at line 814 of file BasisSet.cc.

Array<PolyConstraint>& CASM::BasisSet::_max_poly_constraints ( )

inlineprivate

Definition at line 276 of file BasisSet.hh.

Array<PolyConstraint>& CASM::BasisSet::_min_poly_constraints ( )

inlineprivate

Definition at line 273 of file BasisSet.hh.

static Index CASM::BasisSet::_new_ID ( )

inlinestaticprivate

Definition at line 251 of file BasisSet.hh.

void CASM::BasisSet::_refresh_ID ( )

inlineprivate

Definition at line 256 of file BasisSet.hh.

void CASM::BasisSet::_set_arguments ( const Array< BasisSet const * > & new_args )

private

Definition at line 884 of file BasisSet.cc.

void CASM::BasisSet::_set_arguments ( const std::vector< std::shared_ptr< BasisSet > > & new_args )

inlineprivate

Definition at line 266 of file BasisSet.hh.

void CASM::BasisSet::_update_dof_IDs	(	const Array< Index >	before_IDs,
		const Array< Index > &	after_IDs
	)

private

Definition at line 309 of file BasisSet.cc.

bool CASM::BasisSet::accept ( const FunctionVisitor & visitor )

Definition at line 202 of file BasisSet.cc.

void CASM::BasisSet::add_max_poly_constraint	(	const Array< Index > &	expons,
		Index	expon_sum
	)

inline

Definition at line 112 of file BasisSet.hh.

void CASM::BasisSet::add_min_poly_constraint	(	const Array< Index > &	expons,
		Index	expon_sum
	)

inline

Definition at line 108 of file BasisSet.hh.

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

inherited

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

inlineinherited

Definition at line 284 of file Array.hh.

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

inherited

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

inherited

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

void CASM::BasisSet::append ( const BasisSet & RHS )

Definition at line 112 of file BasisSet.cc.

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

inherited

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

inherited

BasisSet & CASM::BasisSet::apply_sym	(	const SymOp &	op,
		int	dependency_layer = `1`
	)

Definition at line 868 of file BasisSet.cc.

ReturnArray<Index> CASM::Array< Function * >::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< Function * >::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

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

inlineinherited

Definition at line 157 of file Array.hh.

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

inlineinherited

Definition at line 162 of file Array.hh.

Function const* CASM::BasisSet::back ( ) const

inline

Definition at line 76 of file BasisSet.hh.

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

inlineinherited

Definition at line 177 of file Array.hh.

SymGroupRepID CASM::BasisSet::basis_symrep_ID ( ) const

inline

Definition at line 49 of file BasisSet.hh.

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

inlineinherited

Definition at line 185 of file Array.hh.

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

inlineinherited

Definition at line 192 of file Array.hh.

void CASM::BasisSet::calc_invariant_functions ( const SymGroup & head_sym_group )

Definition at line 734 of file BasisSet.cc.

BasisSet CASM::BasisSet::calc_normal_basis	(	const SymGroup &	head_sym_group,
		Eigen::MatrixXd &	trans_mat
	)		const

Definition at line 781 of file BasisSet.cc.

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

inlineinherited

Definition at line 189 of file Array.hh.

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

inlineinherited

Definition at line 201 of file Array.hh.

void CASM::BasisSet::clear ( )

Definition at line 101 of file BasisSet.cc.

void CASM::BasisSet::clear_formulae ( )

inline

Definition at line 94 of file BasisSet.hh.

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

inherited

bool CASM::BasisSet::compare ( const BasisSet & RHS ) const

Definition at line 251 of file BasisSet.cc.

void CASM::BasisSet::construct_invariant_polynomials	(	const Array< BasisSet const * > &	tsubs,
		const SymGroup &	head_sym_group,
		Index	order,
		Index	min_dof_order = `1`
	)

Definition at line 425 of file BasisSet.cc.

void CASM::BasisSet::construct_orthonormal_discrete_functions	(	const DiscreteDoF &	allowed_occs,
		const Eigen::MatrixXd &	gram_mat,
		Index	basis_ind,
		const SymGroup &	symgroup
	)

Definition at line 541 of file BasisSet.cc.

void CASM::BasisSet::construct_orthonormal_discrete_functions	(	const DiscreteDoF &	allowed_occs,
		const Array< double > &	occ_probs,
		Index	basis_ind,
		const SymGroup &	symgroup
	)

Definition at line 687 of file BasisSet.cc.

void CASM::BasisSet::construct_polynomials_by_order	(	const Array< BasisSet const * > &	tsubs,
		Index	order
	)

Construct a polynomial basis set that contains all allowed polynomials of functions specified by tsubs if tsubs specifies, e.g., {{x,y,z}, {x,y,z}, {w,v}}, the resulting basis set will be {x*x*w, x*x*v, x*y*w+y*x*w,..., z*z*v}

Definition at line 398 of file BasisSet.cc.

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

inlineinherited

Definition at line 281 of file Array.hh.

int CASM::BasisSet::dependency_layer ( ) const

Definition at line 269 of file BasisSet.cc.

const double& CASM::BasisSet::deval_cache ( Index i ) const

inline

Definition at line 85 of file BasisSet.hh.

const Array<Index>& CASM::BasisSet::dof_IDs ( ) const

inline

Definition at line 139 of file BasisSet.hh.

const Array<SubBasis>& CASM::BasisSet::dof_sub_bases ( ) const

inline

Definition at line 147 of file BasisSet.hh.

const SubBasis& CASM::BasisSet::dof_sub_basis ( Index i ) const

inline

Definition at line 143 of file BasisSet.hh.

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

inlineinherited

Definition at line 197 of file Array.hh.

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

inlineinherited

Definition at line 204 of file Array.hh.

const double& CASM::BasisSet::eval_cache ( Index i ) const

inline

Definition at line 80 of file BasisSet.hh.

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

inherited

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

bool CASM::BasisSet::Gaussian_Elim ( )

Definition at line 958 of file BasisSet.cc.

void CASM::BasisSet::get_symmetry_representation ( const SymGroup & head_sym_group ) const

Definition at line 1018 of file BasisSet.cc.

bool CASM::BasisSet::Gram_Schmidt ( )

Definition at line 905 of file BasisSet.cc.

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

inherited

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

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

inherited

std::vector< std::set< Index > > CASM::BasisSet::independent_sub_bases ( ) const

Definition at line 351 of file BasisSet.cc.

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

inherited

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

inherited

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

inherited

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

inherited

bool CASM::BasisSet::is_normal_basis_for ( const SymGroup & head_sym_group )

Definition at line 760 of file BasisSet.cc.

bool CASM::Array< Function * >::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

bool CASM::BasisSet::make_orthogonal_to ( Function const * ortho_func )

Definition at line 1057 of file BasisSet.cc.

bool CASM::BasisSet::make_orthogonal_to ( const BasisSet & ortho_basis )

Definition at line 1046 of file BasisSet.cc.

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

inherited

const Array<PolyConstraint>& CASM::BasisSet::max_poly_constraints ( ) const

inline

Definition at line 63 of file BasisSet.hh.

Index CASM::BasisSet::max_poly_order ( ) const

inline

Definition at line 53 of file BasisSet.hh.

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

inherited

const Array<PolyConstraint>& CASM::BasisSet::min_poly_constraints ( ) const

inline

Definition at line 60 of file BasisSet.hh.

Index CASM::BasisSet::min_poly_order ( ) const

inline

Definition at line 56 of file BasisSet.hh.

const std::string& CASM::BasisSet::name ( ) const

inline

Definition at line 45 of file BasisSet.hh.

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

inherited

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

inlineinherited

Definition at line 260 of file Array.hh.

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

inherited

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

inlineinherited

Definition at line 265 of file Array.hh.

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

Definition at line 58 of file BasisSet.cc.

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

inherited

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

inherited

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

inlineinherited

Definition at line 268 of file Array.hh.

Function const* CASM::BasisSet::operator[] ( Index i ) const

inline

Definition at line 72 of file BasisSet.hh.

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

inlineinherited

Definition at line 172 of file Array.hh.

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

inherited

BasisSet CASM::BasisSet::poly_quotient_set ( const Function * divisor ) const

Definition at line 163 of file BasisSet.cc.

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

inlineinherited

Definition at line 212 of file Array.hh.

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

inherited

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

inherited

void CASM::BasisSet::push_back ( Function * new_func )

private

Definition at line 803 of file BasisSet.cc.

int CASM::BasisSet::register_remotes	(	const std::string &	dof_name,
		const Array< DoF::RemoteHandle > &	remote_handles
	)

Definition at line 385 of file BasisSet.cc.

void CASM::BasisSet::remote_deval_and_add_to	(	Array< double > &	cumulant,
		const DoF::RemoteHandle &	dvar
	)		const

Remotely evaluate derivative of each basis function (w.r.t. dvar) and add it to the respective value in cumulant.

Definition at line 238 of file BasisSet.cc.

template<typename IteratorType >

void CASM::BasisSet::remote_deval_to	(	IteratorType	result_begin,
		IteratorType	result_end,
		const DoF::RemoteHandle &	dvar
	)		const

Remotely evaluate derivative of each basis function (w.r.t. dvar) and add it to the respective value in cumulant.

Remotely evaluate derivative of each basis function (w.r.t. dvar) and add it to the respective value in result.

Definition at line 309 of file BasisSet.hh.

void CASM::BasisSet::remote_eval_and_add_to ( Array< double > & cumulant ) const

Remotely evaluate each basis function and add it to the respective value in cumulant.

Definition at line 225 of file BasisSet.cc.

template<typename IteratorType >

void CASM::BasisSet::remote_eval_to	(	IteratorType	result_begin,
		IteratorType	result_end
	)		const

Remotely evaluate each basis function and add it to the respective value in cumulant.

Definition at line 293 of file BasisSet.hh.

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

inherited

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

inherited

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

inherited

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

inherited

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

inherited

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

bool CASM::BasisSet::satisfies_exponent_constraints ( const Array< Index > & expons ) const

Definition at line 176 of file BasisSet.cc.

static ReturnArray<Function * > CASM::Array< Function * >::sequence	(	const Function * &	initial,
		const Function * &	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<Function * > CASM::Array< Function * >::sequence	(	const Function * &	initial,
		const Function * &	increment,
		const Function * &	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::BasisSet::set_basis_symrep_ID ( SymGroupRepID new_ID )

inline

Definition at line 104 of file BasisSet.hh.

void CASM::BasisSet::set_dof_IDs ( const Array< Index > & new_IDs )

Definition at line 304 of file BasisSet.cc.

void CASM::BasisSet::set_name ( const std::string & new_name )

inline

Definition at line 100 of file BasisSet.hh.

void CASM::BasisSet::set_variable_basis	(	const Array< ContinuousDoF > &	tvar_compon,
		SymGroupRepID	_sym_rep_ID
	)

Define the basis set to contain only variables (e.g., x,y,z)

Definition at line 289 of file BasisSet.cc.

std::shared_ptr<BasisSet> CASM::BasisSet::shared_copy ( ) const

inline

Definition at line 68 of file BasisSet.hh.

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

inlineinherited

Definition at line 145 of file Array.hh.

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

inherited

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

inherited

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

inherited

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

inherited

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

inherited

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

inherited

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

inlineinherited

Definition at line 231 of file Array.hh.

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

Definition at line 1109 of file BasisSet.cc.

BasisSet CASM::BasisSet::transform_copy ( const Eigen::MatrixXd & trans_mat ) const

Essentially, perform a change of basis on BasisSet as defined by trans_mat. Returns a BasisSet whos elements are linear combinations of the original BasisSet. The linear combinations are specified by the ROWS of trans_matx

Definition at line 849 of file BasisSet.cc.

Member Data Documentation

std::vector<std::shared_ptr<BasisSet> > CASM::BasisSet::m_argument

private

Definition at line 218 of file BasisSet.hh.

Index CASM::BasisSet::m_basis_ID

private

Definition at line 216 of file BasisSet.hh.

SymGroupRepID CASM::BasisSet::m_basis_symrep_ID

mutableprivate

Definition at line 213 of file BasisSet.hh.

std::vector<double> CASM::BasisSet::m_deval_cache

mutableprivate

Definition at line 235 of file BasisSet.hh.

Array<Index> CASM::BasisSet::m_dof_IDs

private

Definition at line 230 of file BasisSet.hh.

Array<SubBasis> CASM::BasisSet::m_dof_subbases

private

Definition at line 231 of file BasisSet.hh.

std::vector<double> CASM::BasisSet::m_eval_cache

mutableprivate

Definition at line 234 of file BasisSet.hh.

Array<PolyConstraint> CASM::BasisSet::m_max_poly_constraints

private

Definition at line 232 of file BasisSet.hh.

Index CASM::BasisSet::m_max_poly_order

private

Definition at line 228 of file BasisSet.hh.

Array<PolyConstraint> CASM::BasisSet::m_min_poly_constraints

private

Definition at line 232 of file BasisSet.hh.

Index CASM::BasisSet::m_min_poly_order

private

Definition at line 228 of file BasisSet.hh.

std::string CASM::BasisSet::m_name

private

Definition at line 215 of file BasisSet.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/basis_set/BasisSet.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/basis_set/BasisSet.cc

Detailed Description

Public Types

Public Member Functions

Private Types

Private Member Functions

Static Private Member Functions

Private Attributes

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation