#include <BasisSet.hh>

Inheritance diagram for CASM::BasisSet:

Detailed Description

Definition at line 47 of file BasisSet.hh.

Public Types
using	ArgList = BasisSet_impl::ArgList

using	SubBasis = Array< Index >

using	PolyConstraint = std::pair< SubBasis, Index >

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

	BasisSet (const BasisSet &init_basis)

const BasisSet &	operator= (const BasisSet &RHS)

	~BasisSet ()

void	clear ()

const std::string &	name () const

std::vector< std::shared_ptr< BasisSet > > const &	arguments () 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	set_variable_basis (const DoFSet &_dof_set)
	Define the basis set to contain only variables (e.g., x,y,z) More...

void	set_dof_IDs (const std::vector< Index > &new_IDs)

const std::vector< 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

void	append (const BasisSet &RHS, std::function< Function (Function )> const &transform=CASM_TMP::UnaryIdentity< Function * >())
	Append contents of. More...

void	reshape_and_append (const BasisSet &RHS, std::vector< Index > const &compatibility_map)

void	construct_polynomials_by_order (ArgList 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 std::vector< double > &occ_probs, Index basis_ind, const SymGroup &symgroup)

void	construct_invariant_polynomials (ArgList const &tsubs, const SymGroup &head_sym_group, Index order, Index min_dof_order=1)

void	construct_harmonic_polynomials (const ArgList &tsubs, Index order, Index min_order, bool even_only)

void	calc_invariant_functions (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)

void	remote_eval_and_add_to (Array< double > &cumulant) const

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

template<typename IteratorType >
void	remote_eval_to (IteratorType result_begin, IteratorType result_end) const

template<typename IteratorType >
void	remote_deval_to (IteratorType result_begin, IteratorType result_end, const DoF::RemoteHandle &dvar) const

int	register_remotes (const std::vector< DoF::RemoteHandle > &remote_handles)

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

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

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

void	_set_arguments (const ArgList &new_args)

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

bool	_update_dof_IDs (const std::vector< Index > before_IDs, const std::vector< 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

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 Index	ARRAY_MIN_EXTRA_SPACE ()

static double	ARRAY_EXTENSION_FACTOR ()

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

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

std::vector< 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

Index	N

Index	NMax

Function * *	Vals

Friends
BasisSet	direct_sum (BasisSet::ArgList const &_subs)

Member Typedef Documentation

◆ ArgList

using CASM::BasisSet::ArgList = BasisSet_impl::ArgList

Definition at line 50 of file BasisSet.hh.

◆ const_iterator

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

inherited

Definition at line 73 of file Array.hh.

◆ iterator

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

inherited

Definition at line 72 of file Array.hh.

◆ PolyConstraint

using CASM::BasisSet::PolyConstraint = std::pair<SubBasis, Index>

Definition at line 52 of file BasisSet.hh.

◆ size_type

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

inherited

Definition at line 71 of file Array.hh.

◆ SubBasis

using CASM::BasisSet::SubBasis = Array<Index>

Definition at line 51 of file BasisSet.hh.

◆ value_type

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

inherited

Definition at line 70 of file Array.hh.

◆ X1

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

inherited

Definition at line 60 of file Array.hh.

◆ X2

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

inherited

Definition at line 61 of file Array.hh.

◆ X3

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

inherited

Definition at line 62 of file Array.hh.

◆ X4

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

inherited

Definition at line 63 of file Array.hh.

◆ X5

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

inherited

Definition at line 64 of file Array.hh.

◆ X6

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

inherited

Definition at line 65 of file Array.hh.

◆ X7

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

inherited

Definition at line 66 of file Array.hh.

◆ X8

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

inherited

Definition at line 67 of file Array.hh.

◆ X9

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

inherited

Definition at line 68 of file Array.hh.

Constructor & Destructor Documentation

◆ BasisSet() [1/2]

CASM::BasisSet::BasisSet	(	const std::string &	name = `""`,
		ArgList const &	_args = `ArgList()`
	)

inline

Definition at line 58 of file BasisSet.hh.

◆ BasisSet() [2/2]

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

Definition at line 47 of file BasisSet.cc.

◆ ~BasisSet()

CASM::BasisSet::~BasisSet ( )

Definition at line 117 of file BasisSet.cc.

Member Function Documentation

◆ _at()

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

inlineprivate

Definition at line 281 of file BasisSet.hh.

◆ _back()

Function* CASM::BasisSet::_back ( )

inlineprivate

Definition at line 278 of file BasisSet.hh.

◆ _deval_to_cache()

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 315 of file BasisSet.cc.

◆ _eval_to_cache()

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 309 of file BasisSet.cc.

◆ _linear_combination()

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

private

Definition at line 1014 of file BasisSet.cc.

◆ _max_poly_constraints()

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

inlineprivate

Definition at line 307 of file BasisSet.hh.

◆ _min_poly_constraints()

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

inlineprivate

Definition at line 304 of file BasisSet.hh.

◆ _new_ID()

static Index CASM::BasisSet::_new_ID ( )

inlinestaticprivate

Definition at line 283 of file BasisSet.hh.

◆ _refresh_ID()

void CASM::BasisSet::_refresh_ID ( )

inlineprivate

Definition at line 288 of file BasisSet.hh.

◆ _set_arguments() [1/2]

void CASM::BasisSet::_set_arguments ( const ArgList & new_args )

private

Definition at line 1098 of file BasisSet.cc.

◆ _set_arguments() [2/2]

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

inlineprivate

Definition at line 296 of file BasisSet.hh.

◆ _update_dof_IDs()

bool CASM::BasisSet::_update_dof_IDs	(	const std::vector< Index >	before_IDs,
		const std::vector< Index > &	after_IDs
	)

private

Definition at line 350 of file BasisSet.cc.

◆ accept()

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

Definition at line 234 of file BasisSet.cc.

◆ add_max_poly_constraint()

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

inline

Definition at line 131 of file BasisSet.hh.

◆ add_min_poly_constraint()

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

inline

Definition at line 127 of file BasisSet.hh.

◆ all_in()

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

inherited

Definition at line 230 of file Array.hh.

◆ almost_contains()

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

inlineinherited

Definition at line 240 of file Array.hh.

◆ almost_find()

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

inherited

Definition at line 236 of file Array.hh.

◆ almost_reverse_find()

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.

Definition at line 238 of file Array.hh.

◆ append() [1/2]

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

inherited

Definition at line 194 of file Array.hh.

◆ append() [2/2]

void CASM::BasisSet::append	(	const BasisSet &	RHS,
		std::function< Function (Function )> const &	transform = `CASM_TMP::UnaryIdentity<Function *>()`
	)

Append contents of.

Parameters

RHS	onto this BasisSet RHS must have the same arguments as *this and must not introduce anynew DoF dependencies (unless this BasisSet is empty, in which case it assumes the DoF dependencies of RHS)

Definition at line 134 of file BasisSet.cc.

◆ append_unique()

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

inherited

Definition at line 195 of file Array.hh.

◆ apply_sym()

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

Definition at line 1073 of file BasisSet.cc.

◆ arguments()

std::vector<std::shared_ptr<BasisSet> > const& CASM::BasisSet::arguments ( ) const

inline

Definition at line 76 of file BasisSet.hh.

◆ ARRAY_EXTENSION_FACTOR()

static double CASM::Array< Function * >::ARRAY_EXTENSION_FACTOR ( )

inlinestaticprivateinherited

Definition at line 48 of file Array.hh.

◆ ARRAY_MIN_EXTRA_SPACE()

static Index CASM::Array< Function * >::ARRAY_MIN_EXTRA_SPACE ( )

inlinestaticprivateinherited

Definition at line 47 of file Array.hh.

◆ as_perm_inverse()

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

inherited

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

Definition at line 203 of file Array.hh.

◆ as_perm_transform_by()

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

Definition at line 204 of file Array.hh.

◆ at() [1/2]

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

inlineinherited

Definition at line 140 of file Array.hh.

◆ at() [2/2]

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

inlineinherited

Definition at line 145 of file Array.hh.

◆ back() [1/2]

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

inlineinherited

Definition at line 160 of file Array.hh.

◆ back() [2/2]

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

inline

Definition at line 101 of file BasisSet.hh.

◆ basis_symrep_ID()

SymGroupRepID CASM::BasisSet::basis_symrep_ID ( ) const

inline

Definition at line 80 of file BasisSet.hh.

◆ begin() [1/2]

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

inlineinherited

Definition at line 167 of file Array.hh.

◆ begin() [2/2]

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

inlineinherited

Definition at line 164 of file Array.hh.

◆ calc_invariant_functions()

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

Definition at line 947 of file BasisSet.cc.

◆ calc_normal_basis()

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

Definition at line 971 of file BasisSet.cc.

◆ cbegin()

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

inlineinherited

Definition at line 166 of file Array.hh.

◆ cend()

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

inlineinherited

Definition at line 172 of file Array.hh.

◆ clear()

void CASM::BasisSet::clear ( )

Definition at line 124 of file BasisSet.cc.

◆ clear_formulae()

void CASM::BasisSet::clear_formulae ( )

inline

Definition at line 117 of file BasisSet.hh.

◆ coincidence()

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

inherited

Definition at line 231 of file Array.hh.

◆ compare()

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

Definition at line 284 of file BasisSet.cc.

◆ construct_harmonic_polynomials()

void CASM::BasisSet::construct_harmonic_polynomials	(	const ArgList &	tsubs,
		Index	order,
		Index	min_order,
		bool	even_only
	)

Definition at line 867 of file BasisSet.cc.

◆ construct_invariant_polynomials()

void CASM::BasisSet::construct_invariant_polynomials	(	BasisSet::ArgList const &	tsubs,
		const SymGroup &	head_sym_group,
		Index	order,
		Index	min_dof_order = `1`
	)

Definition at line 479 of file BasisSet.cc.

◆ construct_orthonormal_discrete_functions() [1/2]

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 631 of file BasisSet.cc.

◆ construct_orthonormal_discrete_functions() [2/2]

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

Definition at line 807 of file BasisSet.cc.

◆ construct_polynomials_by_order()

void CASM::BasisSet::construct_polynomials_by_order	(	BasisSet::ArgList 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 454 of file BasisSet.cc.

◆ contains()

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

inlineinherited

Definition at line 239 of file Array.hh.

◆ dependency_layer()

int CASM::BasisSet::dependency_layer ( ) const

Definition at line 300 of file BasisSet.cc.

◆ deval_cache()

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

inline

Definition at line 108 of file BasisSet.hh.

◆ dof_IDs()

const std::vector<Index>& CASM::BasisSet::dof_IDs ( ) const

inline

Definition at line 144 of file BasisSet.hh.

◆ dof_sub_bases()

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

inline

Definition at line 148 of file BasisSet.hh.

◆ dof_sub_basis()

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

inline

Definition at line 146 of file BasisSet.hh.

◆ end() [1/2]

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

inlineinherited

Definition at line 173 of file Array.hh.

◆ end() [2/2]

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

inlineinherited

Definition at line 170 of file Array.hh.

◆ eval_cache()

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

inline

Definition at line 103 of file BasisSet.hh.

◆ find()

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

inherited

Definition at line 233 of file Array.hh.

◆ from_json()

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

◆ Gaussian_Elim()

bool CASM::BasisSet::Gaussian_Elim ( )

Definition at line 1183 of file BasisSet.cc.

◆ get_symmetry_representation()

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

Definition at line 1243 of file BasisSet.cc.

◆ Gram_Schmidt()

bool CASM::BasisSet::Gram_Schmidt ( )

Definition at line 1133 of file BasisSet.cc.

◆ has_fixed_points()

bool CASM::Array< Function * >::has_fixed_points

inherited

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

Definition at line 219 of file Array.hh.

◆ incidences()

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

inherited

Definition at line 232 of file Array.hh.

◆ independent_sub_bases()

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

Definition at line 408 of file BasisSet.cc.

◆ ipermute()

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

inherited

Definition at line 200 of file Array.hh.

◆ is_ascending()

bool CASM::Array< Function * >::is_ascending

inherited

Definition at line 215 of file Array.hh.

◆ is_constant()

bool CASM::Array< Function * >::is_constant

inherited

Definition at line 217 of file Array.hh.

◆ is_descending()

bool CASM::Array< Function * >::is_descending

inherited

Definition at line 216 of file Array.hh.

◆ is_permute()

bool CASM::Array< Function * >::is_permute

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

Definition at line 218 of file Array.hh.

◆ make_orthogonal_to() [1/2]

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

Definition at line 1269 of file BasisSet.cc.

◆ make_orthogonal_to() [2/2]

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

Definition at line 1279 of file BasisSet.cc.

◆ max()

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

inherited

Definition at line 207 of file Array.hh.

◆ max_poly_constraints()

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

inline

Definition at line 88 of file BasisSet.hh.

◆ max_poly_order()

Index CASM::BasisSet::max_poly_order ( ) const

inline

Definition at line 82 of file BasisSet.hh.

◆ min()

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

inherited

Definition at line 208 of file Array.hh.

◆ min_poly_constraints()

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

inline

Definition at line 85 of file BasisSet.hh.

◆ min_poly_order()

Index CASM::BasisSet::min_poly_order ( ) const

inline

Definition at line 83 of file BasisSet.hh.

◆ name()

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

inline

Definition at line 74 of file BasisSet.hh.

◆ next_permute()

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

inherited

Definition at line 201 of file Array.hh.

◆ operator!=()

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

inlineinherited

Definition at line 224 of file Array.hh.

◆ operator<()

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

inherited

Definition at line 225 of file Array.hh.

◆ operator<=()

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

inlineinherited

Definition at line 227 of file Array.hh.

◆ operator=()

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

Definition at line 79 of file BasisSet.cc.

◆ operator==()

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

inherited

Definition at line 223 of file Array.hh.

◆ operator>()

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

inherited

Definition at line 226 of file Array.hh.

◆ operator>=()

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

inlineinherited

Definition at line 228 of file Array.hh.

◆ operator[]() [1/2]

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

inline

Definition at line 97 of file BasisSet.hh.

◆ operator[]() [2/2]

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

inlineinherited

Definition at line 155 of file Array.hh.

◆ permute()

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

inherited

Definition at line 199 of file Array.hh.

◆ poly_quotient_set()

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

Definition at line 198 of file BasisSet.cc.

◆ pop_back()

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

inlineinherited

Definition at line 178 of file Array.hh.

◆ print_column()

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

inherited

Definition at line 245 of file Array.hh.

◆ push_back() [1/2]

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

inherited

Definition at line 176 of file Array.hh.

◆ push_back() [2/2]

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

private

Definition at line 998 of file BasisSet.cc.

◆ register_remotes()

int CASM::BasisSet::register_remotes ( const std::vector< DoF::RemoteHandle > & remote_handles )

Definition at line 440 of file BasisSet.cc.

◆ remote_deval_and_add_to()

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 271 of file BasisSet.cc.

◆ remote_deval_to()

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 339 of file BasisSet.hh.

◆ remote_eval_and_add_to()

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 259 of file BasisSet.cc.

◆ remote_eval_to()

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 323 of file BasisSet.hh.

◆ remove()

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

inherited

Definition at line 181 of file Array.hh.

◆ reserve()

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

inherited

Definition at line 188 of file Array.hh.

◆ reshape_and_append()

void CASM::BasisSet::reshape_and_append	(	const BasisSet &	RHS,
		std::vector< Index > const &	compatibility_map
	)

◆ resize() [1/2]

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

inherited

Definition at line 186 of file Array.hh.

◆ resize() [2/2]

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

inherited

Definition at line 187 of file Array.hh.

◆ reverse_find()

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

inherited

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

Definition at line 235 of file Array.hh.

◆ satisfies_exponent_constraints()

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

Definition at line 211 of file BasisSet.cc.

◆ sequence() [1/2]

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

staticinherited

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

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

Definition at line 123 of file Array.hh.

◆ sequence() [2/2]

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

Definition at line 128 of file Array.hh.

◆ set_basis_symrep_ID()

void CASM::BasisSet::set_basis_symrep_ID ( SymGroupRepID new_ID )

inline

Definition at line 125 of file BasisSet.hh.

◆ set_dof_IDs()

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

Definition at line 344 of file BasisSet.cc.

◆ set_name()

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

inline

Definition at line 123 of file BasisSet.hh.

◆ set_variable_basis()

void CASM::BasisSet::set_variable_basis ( const DoFSet & _dof_set )

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

Definition at line 322 of file BasisSet.cc.

◆ shared_copy()

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

inline

Definition at line 93 of file BasisSet.hh.

◆ size()

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

inlineinherited

Definition at line 131 of file Array.hh.

◆ sort() [1/3]

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

inherited

Definition at line 193 of file Array.hh.

◆ sort() [2/3]

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

inherited

Definition at line 192 of file Array.hh.

◆ sort() [3/3]

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

inherited

quicksort sorting algorithm

assumes that CompareType::compare(T a_thing, T b_thing) exists
End results is that CompareType::compare(at(i), at(j)) is true for all i<j

Definition at line 191 of file Array.hh.

◆ sub_array()

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

inherited

Definition at line 211 of file Array.hh.

◆ sum()

Function * CASM::Array< Function * >::sum

inherited

Definition at line 213 of file Array.hh.

◆ swap()

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

inherited

Definition at line 136 of file Array.hh.

◆ swap_elem()

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

inlineinherited

Definition at line 197 of file Array.hh.

◆ to_json()

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

Definition at line 1365 of file BasisSet.cc.

◆ transform_copy()

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 1051 of file BasisSet.cc.

Friends And Related Function Documentation

◆ direct_sum

BasisSet direct_sum ( BasisSet::ArgList const & _subs )

friend

Definition at line 1324 of file BasisSet.cc.

Member Data Documentation

◆ m_argument

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

private

Definition at line 252 of file BasisSet.hh.

◆ m_basis_ID

Index CASM::BasisSet::m_basis_ID

private

Definition at line 250 of file BasisSet.hh.

◆ m_basis_symrep_ID

SymGroupRepID CASM::BasisSet::m_basis_symrep_ID

mutableprivate

Definition at line 247 of file BasisSet.hh.

◆ m_deval_cache

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

mutableprivate

Definition at line 269 of file BasisSet.hh.

◆ m_dof_IDs

std::vector<Index> CASM::BasisSet::m_dof_IDs

private

Definition at line 264 of file BasisSet.hh.

◆ m_dof_subbases

Array<SubBasis> CASM::BasisSet::m_dof_subbases

private

Definition at line 265 of file BasisSet.hh.

◆ m_eval_cache

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

mutableprivate

Definition at line 268 of file BasisSet.hh.

◆ m_max_poly_constraints

Array<PolyConstraint> CASM::BasisSet::m_max_poly_constraints

private

Definition at line 266 of file BasisSet.hh.

◆ m_max_poly_order

Index CASM::BasisSet::m_max_poly_order

private

Definition at line 262 of file BasisSet.hh.

◆ m_min_poly_constraints

Array<PolyConstraint> CASM::BasisSet::m_min_poly_constraints

private

Definition at line 266 of file BasisSet.hh.

◆ m_min_poly_order

Index CASM::BasisSet::m_min_poly_order

private

Definition at line 262 of file BasisSet.hh.

◆ m_name

std::string CASM::BasisSet::m_name

private

Definition at line 249 of file BasisSet.hh.

◆ N

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

privateinherited

Definition at line 53 of file Array.hh.

◆ NMax

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

privateinherited

Definition at line 54 of file Array.hh.

◆ Vals

Function * * CASM::Array< Function * >::Vals

privateinherited

Definition at line 55 of file Array.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

Friends

Member Typedef Documentation

◆ ArgList

◆ const_iterator

◆ iterator

◆ PolyConstraint

◆ size_type

◆ SubBasis

◆ value_type

◆ X1

◆ X2

◆ X3

◆ X4

◆ X5

◆ X6

◆ X7

◆ X8

◆ X9

Constructor & Destructor Documentation

◆ BasisSet() [1/2]

◆ BasisSet() [2/2]

◆ ~BasisSet()

Member Function Documentation

◆ _at()

◆ _back()

◆ _deval_to_cache()

◆ _eval_to_cache()

◆ _linear_combination()

◆ _max_poly_constraints()

◆ _min_poly_constraints()

◆ _new_ID()

◆ _refresh_ID()

◆ _set_arguments() [1/2]

◆ _set_arguments() [2/2]

◆ _update_dof_IDs()

◆ accept()

◆ add_max_poly_constraint()

◆ add_min_poly_constraint()

◆ all_in()

◆ almost_contains()

◆ almost_find()

◆ almost_reverse_find()

◆ append() [1/2]

◆ append() [2/2]

◆ append_unique()

◆ apply_sym()

◆ arguments()

◆ ARRAY_EXTENSION_FACTOR()

◆ ARRAY_MIN_EXTRA_SPACE()

◆ as_perm_inverse()

◆ as_perm_transform_by()

◆ at() [1/2]

◆ at() [2/2]

◆ back() [1/2]

◆ back() [2/2]

◆ basis_symrep_ID()

◆ begin() [1/2]

◆ begin() [2/2]

◆ calc_invariant_functions()

◆ calc_normal_basis()

◆ cbegin()

◆ cend()

◆ clear()

◆ clear_formulae()

◆ coincidence()

◆ compare()

◆ construct_harmonic_polynomials()

◆ construct_invariant_polynomials()

◆ construct_orthonormal_discrete_functions() [1/2]

◆ construct_orthonormal_discrete_functions() [2/2]

◆ construct_polynomials_by_order()

◆ contains()

◆ dependency_layer()