#include <BasisFunction.hh>

Inheritance diagram for CASM::Function:

Detailed Description

Function is a virtual class from which all basis function types (e.g., Variable, PolynomialFunction, etc.) are derived

Definition at line 41 of file BasisFunction.hh.

Public Member Functions
	Function (const Function &RHS)=default

	Function (const ArgumentContainer &_args)

	Function ()

virtual	~Function ()

void	refresh_ID ()

Index	ID () const

Index	num_args () const

void	set_identifier (char _key, std::string const &_value)

std::string	identifier (char _key) const

std::string	formula () const

std::string	tex_formula () const

void	print (std::ostream &stream) const

void	print_tex (std::ostream &stream) const

void	set_formula (const std::string &new_formula)

void	set_tex_formula (const std::string &new_formula)

void	clear_formula ()

virtual std::string	type_name () const =0

virtual Function *	copy () const =0

virtual void	make_formula () const =0

virtual bool	is_zero () const =0

virtual bool	depends_on (const Function *test_func) const

bool	accept (const FunctionVisitor &visitor, BasisSet const *home_basis_ptr=nullptr)

bool	accept (const FunctionVisitor &visitor, BasisSet const *home_basis_ptr=nullptr) const

virtual void	small_to_zero (double tol=TOL)=0

virtual Index	num_terms () const =0

virtual double	leading_coefficient () const =0

virtual double	leading_coefficient (Index &index) const =0

virtual double	get_coefficient (Index i) const =0

virtual int	class_ID () const =0

virtual void	scale (double scale_factor)=0

virtual SparseTensor< double > const *	get_coeffs () const

virtual Eigen::VectorXd const *	get_eigen_coeffs () const

virtual double	remote_eval () const =0

virtual double	remote_deval (const DoF::RemoteHandle &dvar) const =0

virtual double	cache_eval () const =0

virtual double	cache_deval (const DoF::RemoteHandle &dvar) const =0

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

bool	update_dof_IDs (const std::vector< Index > &before_IDs, const std::vector< Index > &after_IDs)

virtual std::set< Index >	dof_IDs () const =0

virtual Function *	apply_sym_coeffs (const SymOp &op, int dependency_layer=1)

Function *	sym_copy_coeffs (const SymOp &op, int dependency_layer=1) const

void	normalize ()

double	dot (Function const *RHS) const

bool	shallow_compare (Function const *RHS) const

bool	compare (Function const *RHS) const

Function *	minus (Function const *RHS) const

Function *	plus (Function const *RHS) const

Function *	multiply (Function const *RHS) const

Function *	poly_quotient (Function const *RHS) const

Function *	poly_remainder (Function const *RHS) const

Function *	minus_in_place (Function const *RHS)

Function *	plus_in_place (Function const *RHS)

void	set_arguments (const ArgumentContainer &new_arg)
	change arguments of this function More...

void	set_arguments (const ArgumentContainer &new_arg, std::vector< Index > const &compatibility_map)
	change arguments, allowing for new_arg to be larger than current argument list [or permuted (not yet implemented)] More...

const ArgumentContainer &	argument_bases () const

virtual jsonParser &	to_json (jsonParser &json) const

Protected Types
typedef std::vector< std::shared_ptr< BasisSet > >	ArgumentContainer

Protected Member Functions
ReturnArray< SymGroupRepID >	_sub_sym_reps () const

virtual void	_set_arguments (const ArgumentContainer &new_arg, std::vector< Index > const &compatibility_map)

Function const *	_argument (Index i) const

double	_arg_eval_cache (Index i) const

double	_arg_deval_cache (Index i) const

int	_dependency_layer () const

virtual Function *	_apply_sym (const SymOp &op)=0

virtual bool	_accept (const FunctionVisitor &visitor, BasisSet const *home_basis_ptr=nullptr)=0

virtual bool	_accept (const FunctionVisitor &visitor, BasisSet const *home_basis_ptr=nullptr) const =0

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

Static Protected Member Functions
static void	extend_hierarchy ()

static int	new_class_ID ()

Protected Attributes
Index	func_ID

ArgumentContainer	m_argument

Array< Index >	m_arg2sub

Array< Index >	m_arg2fun

std::string	m_formula

std::string	m_tex_formula

Static Protected Attributes
static Array< Array< InnerProduct * > >	inner_prod_table

static Array< Array< FunctionOperation * > >	operation_table

Private Attributes
std::map< char, std::string >	m_identifiers

Static Private Attributes
static Index	ID_count

Friends
class	HierarchyID< Function >

Member Typedef Documentation

◆ ArgumentContainer

typedef std::vector<std::shared_ptr<BasisSet> > CASM::Function::ArgumentContainer

protected

Definition at line 43 of file BasisFunction.hh.

Constructor & Destructor Documentation

◆ Function() [1/3]

CASM::Function::Function ( const Function & RHS )

default

◆ Function() [2/3]

CASM::Function::Function ( const ArgumentContainer & _args )

◆ Function() [3/3]

CASM::Function::Function ( )

inline

Definition at line 49 of file BasisFunction.hh.

◆ ~Function()

virtual CASM::Function::~Function ( )

inlinevirtual

Definition at line 53 of file BasisFunction.hh.

Member Function Documentation

◆ _accept() [1/2]

virtual bool CASM::Function::_accept	(	const FunctionVisitor &	visitor,
		BasisSet const *	home_basis_ptr = `nullptr`
	)		const

protectedpure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ _accept() [2/2]

virtual bool CASM::Function::_accept	(	const FunctionVisitor &	visitor,
		BasisSet const *	home_basis_ptr = `nullptr`
	)

protectedpure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ _apply_sym()

virtual Function* CASM::Function::_apply_sym ( const SymOp & op )

protectedpure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ _arg_deval_cache()

double CASM::Function::_arg_deval_cache ( Index i ) const

protected

Definition at line 150 of file BasisFunction.cc.

◆ _arg_eval_cache()

double CASM::Function::_arg_eval_cache ( Index i ) const

protected

Definition at line 144 of file BasisFunction.cc.

◆ _argument()

Function const * CASM::Function::_argument ( Index i ) const

protected

Definition at line 138 of file BasisFunction.cc.

◆ _dependency_layer()

int CASM::Function::_dependency_layer ( ) const

protected

Definition at line 156 of file BasisFunction.cc.

◆ _set_arguments()

virtual void CASM::Function::_set_arguments	(	const ArgumentContainer &	new_arg,
		std::vector< Index > const &	compatibility_map
	)

inlineprotectedvirtual

Reimplemented in CASM::PolynomialFunction.

Definition at line 225 of file BasisFunction.hh.

◆ _sub_sym_reps()

ReturnArray< SymGroupRepID > CASM::Function::_sub_sym_reps ( ) const

protected

Definition at line 128 of file BasisFunction.cc.

◆ _update_dof_IDs()

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

inlineprotectedvirtual

Reimplemented in CASM::Variable, and CASM::OccupantFunction.

Definition at line 257 of file BasisFunction.hh.

◆ accept() [1/2]

bool CASM::Function::accept	(	const FunctionVisitor &	visitor,
		BasisSet const *	home_basis_ptr = `nullptr`
	)

Definition at line 171 of file BasisFunction.cc.

◆ accept() [2/2]

bool CASM::Function::accept	(	const FunctionVisitor &	visitor,
		BasisSet const *	home_basis_ptr = `nullptr`
	)		const

Definition at line 189 of file BasisFunction.cc.

◆ apply_sym_coeffs()

virtual Function* CASM::Function::apply_sym_coeffs	(	const SymOp &	op,
		int	dependency_layer = `1`
	)

inlinevirtual

Reimplemented in CASM::PolynomialFunction.

Definition at line 129 of file BasisFunction.hh.

◆ argument_bases()

const ArgumentContainer& CASM::Function::argument_bases ( ) const

inline

Definition at line 170 of file BasisFunction.hh.

◆ cache_deval()

virtual double CASM::Function::cache_deval ( const DoF::RemoteHandle & dvar ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ cache_eval()

virtual double CASM::Function::cache_eval ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ class_ID()

virtual int CASM::Function::class_ID ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ clear_formula()

void CASM::Function::clear_formula ( )

inline

Definition at line 76 of file BasisFunction.hh.

◆ compare()

bool CASM::Function::compare ( Function const * RHS ) const

Definition at line 52 of file BasisFunction.cc.

◆ copy()

virtual Function* CASM::Function::copy ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ depends_on()

virtual bool CASM::Function::depends_on ( const Function * test_func ) const

inlinevirtual

Reimplemented in CASM::PolynomialFunction.

Definition at line 92 of file BasisFunction.hh.

◆ dof_IDs()

virtual std::set<Index> CASM::Function::dof_IDs ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ dot()

double CASM::Function::dot ( Function const * RHS ) const

Definition at line 28 of file BasisFunction.cc.

◆ extend_hierarchy()

static void CASM::Function::extend_hierarchy ( )

inlinestaticprotected

Definition at line 182 of file BasisFunction.hh.

◆ formula()

std::string CASM::Function::formula ( ) const

Definition at line 281 of file BasisFunction.cc.

◆ get_coefficient()

virtual double CASM::Function::get_coefficient ( Index i ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ get_coeffs()

virtual SparseTensor<double> const* CASM::Function::get_coeffs ( ) const

inlinevirtual

Reimplemented in CASM::PolynomialFunction.

Definition at line 111 of file BasisFunction.hh.

◆ get_eigen_coeffs()

virtual Eigen::VectorXd const* CASM::Function::get_eigen_coeffs ( ) const

inlinevirtual

Reimplemented in CASM::OccupantFunction.

Definition at line 113 of file BasisFunction.hh.

◆ ID()

Index CASM::Function::ID ( ) const

inline

Definition at line 55 of file BasisFunction.hh.

◆ identifier()

std::string CASM::Function::identifier ( char _key ) const

Definition at line 273 of file BasisFunction.cc.

◆ is_zero()

virtual bool CASM::Function::is_zero ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ leading_coefficient() [1/2]

virtual double CASM::Function::leading_coefficient ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ leading_coefficient() [2/2]

virtual double CASM::Function::leading_coefficient ( Index & index ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ make_formula()

virtual void CASM::Function::make_formula ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ minus()

Function * CASM::Function::minus ( Function const * RHS ) const

Definition at line 72 of file BasisFunction.cc.

◆ minus_in_place()

Function * CASM::Function::minus_in_place ( Function const * RHS )

Definition at line 104 of file BasisFunction.cc.

◆ multiply()

Function * CASM::Function::multiply ( Function const * RHS ) const

Definition at line 90 of file BasisFunction.cc.

◆ new_class_ID()

static int CASM::HierarchyID< Function >::new_class_ID ( )

inlinestaticprotectedinherited

Definition at line 16 of file HierarchyID.hh.

◆ normalize()

void CASM::Function::normalize ( )

Definition at line 33 of file BasisFunction.cc.

◆ num_args()

Index CASM::Function::num_args ( ) const

inline

Definition at line 57 of file BasisFunction.hh.

◆ num_terms()

virtual Index CASM::Function::num_terms ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ plus()

Function * CASM::Function::plus ( Function const * RHS ) const

Definition at line 67 of file BasisFunction.cc.

◆ plus_in_place()

Function * CASM::Function::plus_in_place ( Function const * RHS )

Definition at line 96 of file BasisFunction.cc.

◆ poly_quotient()

Function * CASM::Function::poly_quotient ( Function const * RHS ) const

Definition at line 78 of file BasisFunction.cc.

◆ poly_remainder()

Function * CASM::Function::poly_remainder ( Function const * RHS ) const

Definition at line 84 of file BasisFunction.cc.

◆ print()

void CASM::Function::print ( std::ostream & stream ) const

Definition at line 211 of file BasisFunction.cc.

◆ print_tex()

void CASM::Function::print_tex ( std::ostream & stream ) const

Definition at line 220 of file BasisFunction.cc.

◆ refresh_ID()

void CASM::Function::refresh_ID ( )

Definition at line 207 of file BasisFunction.cc.

◆ register_remotes()

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

virtual

Reimplemented in CASM::Variable, and CASM::OccupantFunction.

Definition at line 238 of file BasisFunction.cc.

◆ remote_deval()

virtual double CASM::Function::remote_deval ( const DoF::RemoteHandle & dvar ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ remote_eval()

virtual double CASM::Function::remote_eval ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ scale()

virtual void CASM::Function::scale ( double scale_factor )

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ set_arguments() [1/2]

void CASM::Function::set_arguments ( const ArgumentContainer & new_arg )

inline

change arguments of this function

Definition at line 161 of file BasisFunction.hh.

◆ set_arguments() [2/2]

void CASM::Function::set_arguments	(	const ArgumentContainer &	new_arg,
		std::vector< Index > const &	compatibility_map
	)

change arguments, allowing for new_arg to be larger than current argument list [or permuted (not yet implemented)]

Parameters

compatibility_map	specifies which elements of
new_arg	are compatible with urrent argument list (e.g., [2, 3])

Definition at line 113 of file BasisFunction.cc.

◆ set_formula()

void CASM::Function::set_formula ( const std::string & new_formula )

inline

Definition at line 69 of file BasisFunction.hh.

◆ set_identifier()

void CASM::Function::set_identifier	(	char	_key,
		std::string const &	_value
	)

Definition at line 268 of file BasisFunction.cc.

◆ set_tex_formula()

void CASM::Function::set_tex_formula ( const std::string & new_formula )

inline

Definition at line 73 of file BasisFunction.hh.

◆ shallow_compare()

bool CASM::Function::shallow_compare ( Function const * RHS ) const

Definition at line 45 of file BasisFunction.cc.

◆ small_to_zero()

virtual void CASM::Function::small_to_zero ( double tol = TOL )

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ sym_copy_coeffs()

Function * CASM::Function::sym_copy_coeffs	(	const SymOp &	op,
		int	dependency_layer = `1`
	)		const

Definition at line 230 of file BasisFunction.cc.

◆ tex_formula()

std::string CASM::Function::tex_formula ( ) const

Definition at line 291 of file BasisFunction.cc.

◆ to_json()

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

virtual

Reimplemented in CASM::Variable, and CASM::OccupantFunction.

Definition at line 387 of file BasisFunction.cc.

◆ type_name()

virtual std::string CASM::Function::type_name ( ) const

pure virtual

Implemented in CASM::Variable, CASM::PolynomialFunction, and CASM::OccupantFunction.

◆ update_dof_IDs()

bool CASM::Function::update_dof_IDs	(	const std::vector< Index > &	before_IDs,
		const std::vector< Index > &	after_IDs
	)

Definition at line 250 of file BasisFunction.cc.

Friends And Related Function Documentation

◆ HierarchyID< Function >

friend class HierarchyID< Function >

friend

Definition at line 257 of file BasisFunction.hh.

Member Data Documentation

◆ func_ID

Index CASM::Function::func_ID

protected

Definition at line 194 of file BasisFunction.hh.

◆ ID_count

Index CASM::Function::ID_count

staticprivate

Definition at line 266 of file BasisFunction.hh.

◆ inner_prod_table

Array< Array< InnerProduct * > > CASM::Function::inner_prod_table

staticprotected

Initial value:

=

Array<Array<InnerProduct *> >()

Definition at line 177 of file BasisFunction.hh.

◆ m_arg2fun

Array<Index> CASM::Function::m_arg2fun

protected

Definition at line 219 of file BasisFunction.hh.

◆ m_arg2sub

Array<Index> CASM::Function::m_arg2sub

protected

m_label_format sets the label format used to generate a label string for a Function object. It is specified as a string of the form (substr1 + "%a" + substr2 + "%b" + substr3 + ... ), where "%a" and "%b" are flags that specify object-specific values. The following flags are allowed:

f : function index (only available for some derived types)
b : basis index (only available for OccupantFunction and Variable)
n : neighbor list index – the DoF ID if dof.is_locked()==false
g : global DoF index – the DoF ID if dof.is_locked()==true For objects where the flag does not uniquely specify a single value, it evaluates to a substring that concatenates multiple values in ascending order. Example: For a polynomial function that combines DoFs from the sites {8, 2, 4} of the neighborlist, n will evaluate to the substring expression "2_4_8"

Definition at line 218 of file BasisFunction.hh.

◆ m_argument

ArgumentContainer CASM::Function::m_argument

protected

Definition at line 196 of file BasisFunction.hh.

◆ m_formula

std::string CASM::Function::m_formula

mutableprotected

Definition at line 221 of file BasisFunction.hh.

◆ m_identifiers

std::map<char, std::string> CASM::Function::m_identifiers

private

Definition at line 268 of file BasisFunction.hh.

◆ m_tex_formula

std::string CASM::Function::m_tex_formula

protected

Definition at line 221 of file BasisFunction.hh.

◆ operation_table

Array< Array< FunctionOperation * > > CASM::Function::operation_table

staticprotected

Initial value:

=

Array<Array<FunctionOperation *> >()

Definition at line 178 of file BasisFunction.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/BasisFunction.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/basis_set/BasisFunction.cc

Detailed Description

Public Member Functions

Protected Types

Protected Member Functions

Static Protected Member Functions

Protected Attributes

Static Protected Attributes

Private Attributes

Static Private Attributes

Friends

Member Typedef Documentation

◆ ArgumentContainer

Constructor & Destructor Documentation

◆ Function() [1/3]

◆ Function() [2/3]

◆ Function() [3/3]

◆ ~Function()

Member Function Documentation

◆ _accept() [1/2]

◆ _accept() [2/2]

◆ _apply_sym()

◆ _arg_deval_cache()

◆ _arg_eval_cache()

◆ _argument()

◆ _dependency_layer()

◆ _set_arguments()

◆ _sub_sym_reps()

◆ _update_dof_IDs()

◆ accept() [1/2]

◆ accept() [2/2]

◆ apply_sym_coeffs()

◆ argument_bases()

◆ cache_deval()

◆ cache_eval()

◆ class_ID()

◆ clear_formula()

◆ compare()

◆ copy()

◆ depends_on()

◆ dof_IDs()

◆ dot()

◆ extend_hierarchy()

◆ formula()

◆ get_coefficient()

◆ get_coeffs()

◆ get_eigen_coeffs()

◆ ID()

◆ identifier()

◆ is_zero()

◆ leading_coefficient() [1/2]

◆ leading_coefficient() [2/2]

◆ make_formula()

◆ minus()

◆ minus_in_place()

◆ multiply()

◆ new_class_ID()

◆ normalize()

◆ num_args()

◆ num_terms()

◆ plus()

◆ plus_in_place()

◆ poly_quotient()

◆ poly_remainder()

◆ print()

◆ print_tex()

◆ refresh_ID()

◆ register_remotes()

◆ remote_deval()

◆ remote_eval()

◆ scale()

◆ set_arguments() [1/2]

◆ set_arguments() [2/2]

◆ set_formula()

◆ set_identifier()

◆ set_tex_formula()

◆ shallow_compare()

◆ small_to_zero()

◆ sym_copy_coeffs()

◆ tex_formula()

◆ to_json()