#include <Variable.hh>

Inheritance diagram for CASM::Variable:

Detailed Description

Definition at line 25 of file Variable.hh.

Public Member Functions
	Variable (const DoFSet &tvar, int var_ind)

	Variable (const DoFSet &tvar, const Eigen::VectorXd &init_coeffs)

std::string	type_name () const override

Function *	copy () const override

bool	is_zero () const override

void	small_to_zero (double tol=TOL) override

Index	num_terms () const override

double	leading_coefficient () const override

double	leading_coefficient (Index &index) const override

double	get_coefficient (Index i) const override

const DoFSet &	dof_set () const

SymGroupRepID	symrep_ID () const

const Eigen::VectorXd &	coeffs () const

void	make_formula () const override

std::set< Index >	dof_IDs () const override

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

bool	compare (const Variable *RHS) const

int	class_ID () const override

double	dot (Function const *RHS) const

void	scale (double scale_factor) override

double	remote_eval () const override

double	remote_deval (const DoF::RemoteHandle &dvar) const override

double	cache_eval () const override

double	cache_deval (const DoF::RemoteHandle &dvar) const override

Function *	minus_equals (const Variable *RHS)

Function *	plus_equals (const Variable *RHS)

jsonParser &	to_json (jsonParser &json) const override

void	from_json (const jsonParser &json)

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 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 SparseTensor< double > const *	get_coeffs () const

virtual Eigen::VectorXd const *	get_eigen_coeffs () const

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

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 ()

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

Static Public Member Functions
static void	fill_dispatch_table ()

static int	sclass_ID ()

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

Protected Member Functions
Function *	_apply_sym (const SymOp &op) override

bool	_accept (const FunctionVisitor &visitor, BasisSet const *home_basis_ptr=NULL) override

bool	_accept (const FunctionVisitor &visitor, BasisSet const *home_basis_ptr=NULL) const override

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

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

Static Protected Member Functions
static void	extend_hierarchy ()

static int	new_class_ID ()

static int	get_class_ID ()

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 Member Functions
	Variable (const Variable &old_var)=default

Private Attributes
DoFSet	m_dof_set

Eigen::VectorXd	m_coeffs

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

Static Private Attributes
static Index	ID_count

Member Typedef Documentation

◆ ArgumentContainer

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

protectedinherited

Definition at line 43 of file BasisFunction.hh.

Constructor & Destructor Documentation

◆ Variable() [1/3]

CASM::Variable::Variable ( const Variable & old_var )

privatedefault

◆ Variable() [2/3]

CASM::Variable::Variable	(	const DoFSet &	tvar,
		int	var_ind
	)

Definition at line 25 of file Variable.cc.

◆ Variable() [3/3]

CASM::Variable::Variable	(	const DoFSet &	tvar,
		const Eigen::VectorXd &	init_coeffs
	)

Definition at line 33 of file Variable.cc.

Member Function Documentation

◆ _accept() [1/2]

bool CASM::Variable::_accept	(	const FunctionVisitor &	visitor,
		BasisSet const *	home_basis_ptr = `NULL`
	)		const

overrideprotectedvirtual

Implements CASM::Function.

Definition at line 45 of file Variable.cc.

◆ _accept() [2/2]

bool CASM::Variable::_accept	(	const FunctionVisitor &	visitor,
		BasisSet const *	home_basis_ptr = `NULL`
	)

overrideprotectedvirtual

Implements CASM::Function.

Definition at line 38 of file Variable.cc.

◆ _apply_sym()

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

overrideprotectedvirtual

Implements CASM::Function.

Definition at line 200 of file Variable.cc.

◆ _arg_deval_cache()

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

protectedinherited

Definition at line 150 of file BasisFunction.cc.

◆ _arg_eval_cache()

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

protectedinherited

Definition at line 144 of file BasisFunction.cc.

◆ _argument()

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

protectedinherited

Definition at line 138 of file BasisFunction.cc.

◆ _dependency_layer()

int CASM::Function::_dependency_layer ( ) const

protectedinherited

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
	)

inlineprotectedvirtualinherited

Reimplemented in CASM::PolynomialFunction.

Definition at line 225 of file BasisFunction.hh.

◆ _sub_sym_reps()

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

protectedinherited

Definition at line 128 of file BasisFunction.cc.

◆ _update_dof_IDs()

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

overrideprotectedvirtual

Reimplemented from CASM::Function.

Definition at line 246 of file Variable.cc.

◆ accept() [1/2]

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

inherited

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

inherited

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`
	)

inlinevirtualinherited

Reimplemented in CASM::PolynomialFunction.

Definition at line 129 of file BasisFunction.hh.

◆ argument_bases()

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

inlineinherited

Definition at line 170 of file BasisFunction.hh.

◆ cache_deval()

double CASM::Variable::cache_deval ( const DoF::RemoteHandle & dvar ) const

inlineoverridevirtual

Implements CASM::Function.

Definition at line 94 of file Variable.hh.

◆ cache_eval()

double CASM::Variable::cache_eval ( ) const

inlineoverridevirtual

Implements CASM::Function.

Definition at line 92 of file Variable.hh.

◆ class_ID()

int CASM::Variable::class_ID ( ) const

inlineoverridevirtual

Implements CASM::Function.

Definition at line 78 of file Variable.hh.

◆ clear_formula()

void CASM::Function::clear_formula ( )

inlineinherited

Definition at line 76 of file BasisFunction.hh.

◆ coeffs()

const Eigen::VectorXd& CASM::Variable::coeffs ( ) const

inline

Definition at line 67 of file Variable.hh.

◆ compare() [1/2]

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

Definition at line 262 of file Variable.cc.

◆ compare() [2/2]

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

inherited

Definition at line 52 of file BasisFunction.cc.

◆ copy()

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

inlineoverridevirtual

Implements CASM::Function.

Definition at line 53 of file Variable.hh.

◆ depends_on()

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

inlinevirtualinherited

Reimplemented in CASM::PolynomialFunction.

Definition at line 92 of file BasisFunction.hh.

◆ dof_IDs()

std::set< Index > CASM::Variable::dof_IDs ( ) const

overridevirtual

Implements CASM::Function.

Definition at line 215 of file Variable.cc.

◆ dof_set()

const DoFSet& CASM::Variable::dof_set ( ) const

inline

Definition at line 63 of file Variable.hh.

◆ dot()

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

◆ extend_hierarchy()

static void CASM::Function::extend_hierarchy ( )

inlinestaticprotectedinherited

Definition at line 182 of file BasisFunction.hh.

◆ fill_dispatch_table()

void CASM::Variable::fill_dispatch_table ( )

static

Definition at line 17 of file Variable.cc.

◆ formula()

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

inherited

Definition at line 281 of file BasisFunction.cc.

◆ from_json()

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

◆ get_class_ID()

static int CASM::DerivedID< Variable , Function >::get_class_ID ( )

inlinestaticprotectedinherited

Definition at line 30 of file HierarchyID.hh.

◆ get_coefficient()

double CASM::Variable::get_coefficient ( Index i ) const

overridevirtual

Implements CASM::Function.

Definition at line 110 of file Variable.cc.

◆ get_coeffs()

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

inlinevirtualinherited

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

inlinevirtualinherited

Reimplemented in CASM::OccupantFunction.

Definition at line 113 of file BasisFunction.hh.

◆ ID()

Index CASM::Function::ID ( ) const

inlineinherited

Definition at line 55 of file BasisFunction.hh.

◆ identifier()

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

inherited

Definition at line 273 of file BasisFunction.cc.

◆ is_zero()

bool CASM::Variable::is_zero ( ) const

overridevirtual

Implements CASM::Function.

Definition at line 51 of file Variable.cc.

◆ leading_coefficient() [1/2]

double CASM::Variable::leading_coefficient ( ) const

overridevirtual

Implements CASM::Function.

Definition at line 88 of file Variable.cc.

◆ leading_coefficient() [2/2]

double CASM::Variable::leading_coefficient ( Index & index ) const

overridevirtual

Implements CASM::Function.

Definition at line 99 of file Variable.cc.

◆ make_formula()

void CASM::Variable::make_formula ( ) const

overridevirtual

Implements CASM::Function.

Definition at line 117 of file Variable.cc.

◆ minus()

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

inherited

Definition at line 72 of file BasisFunction.cc.

◆ minus_equals()

Function * CASM::Variable::minus_equals ( const Variable * RHS )

Definition at line 306 of file Variable.cc.

◆ minus_in_place()

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

inherited

Definition at line 104 of file BasisFunction.cc.

◆ multiply()

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

inherited

Definition at line 90 of file BasisFunction.cc.

◆ new_class_ID() [1/2]

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

inlinestaticprotectedinherited

Definition at line 16 of file HierarchyID.hh.

◆ new_class_ID() [2/2]

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

inlinestaticprotectedinherited

Definition at line 16 of file HierarchyID.hh.

◆ normalize()

void CASM::Function::normalize ( )

inherited

Definition at line 33 of file BasisFunction.cc.

◆ num_args()

Index CASM::Function::num_args ( ) const

inlineinherited

Definition at line 57 of file BasisFunction.hh.

◆ num_terms()

Index CASM::Variable::num_terms ( ) const

overridevirtual

Implements CASM::Function.

Definition at line 74 of file Variable.cc.

◆ plus()

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

inherited

Definition at line 67 of file BasisFunction.cc.

◆ plus_equals()

Function * CASM::Variable::plus_equals ( const Variable * RHS )

Definition at line 313 of file Variable.cc.

◆ plus_in_place()

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

inherited

Definition at line 96 of file BasisFunction.cc.

◆ poly_quotient()

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

inherited

Definition at line 78 of file BasisFunction.cc.

◆ poly_remainder()

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

inherited

Definition at line 84 of file BasisFunction.cc.

◆ print()

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

inherited

Definition at line 211 of file BasisFunction.cc.

◆ print_tex()

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

inherited

Definition at line 220 of file BasisFunction.cc.

◆ refresh_ID()

void CASM::Function::refresh_ID ( )

inherited

Definition at line 207 of file BasisFunction.cc.

◆ register_remotes()

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

overridevirtual

Reimplemented from CASM::Function.

Definition at line 224 of file Variable.cc.

◆ remote_deval()

double CASM::Variable::remote_deval ( const DoF::RemoteHandle & dvar ) const

overridevirtual

Implements CASM::Function.

Definition at line 293 of file Variable.cc.

◆ remote_eval()

double CASM::Variable::remote_eval ( ) const

overridevirtual

Implements CASM::Function.

Definition at line 283 of file Variable.cc.

◆ scale()

void CASM::Variable::scale ( double scale_factor )

overridevirtual

Implements CASM::Function.

Definition at line 274 of file Variable.cc.

◆ sclass_ID()

static int CASM::Variable::sclass_ID ( )

inlinestatic

Definition at line 81 of file Variable.hh.

◆ set_arguments() [1/2]

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

inlineinherited

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
	)

inherited

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 )

inlineinherited

Definition at line 69 of file BasisFunction.hh.

◆ set_identifier()

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

inherited

Definition at line 268 of file BasisFunction.cc.

◆ set_tex_formula()

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

inlineinherited

Definition at line 73 of file BasisFunction.hh.

◆ shallow_compare()

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

inherited

Definition at line 45 of file BasisFunction.cc.

◆ small_to_zero()

void CASM::Variable::small_to_zero ( double tol = TOL )

overridevirtual

Implements CASM::Function.

Definition at line 64 of file Variable.cc.

◆ sym_copy_coeffs()

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

inherited

Definition at line 230 of file BasisFunction.cc.

◆ symrep_ID()

SymGroupRepID CASM::Variable::symrep_ID ( ) const

inline

Definition at line 65 of file Variable.hh.

◆ tex_formula()

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

inherited

Definition at line 291 of file BasisFunction.cc.

◆ to_json()

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

overridevirtual

Reimplemented from CASM::Function.

Definition at line 428 of file Variable.cc.

◆ type_name()

std::string CASM::Variable::type_name ( ) const

inlineoverridevirtual

Implements CASM::Function.

Definition at line 51 of file Variable.hh.

◆ update_dof_IDs()

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

inherited

Definition at line 250 of file BasisFunction.cc.

Member Data Documentation

◆ func_ID

Index CASM::Function::func_ID

protectedinherited

Definition at line 194 of file BasisFunction.hh.

◆ ID_count

Index CASM::Function::ID_count

staticprivateinherited

Definition at line 266 of file BasisFunction.hh.

◆ inner_prod_table

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

staticprotectedinherited

Initial value:

=

Array<Array<InnerProduct *> >()

Definition at line 177 of file BasisFunction.hh.

◆ m_arg2fun

Array<Index> CASM::Function::m_arg2fun

protectedinherited

Definition at line 219 of file BasisFunction.hh.

◆ m_arg2sub

Array<Index> CASM::Function::m_arg2sub

protectedinherited

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

protectedinherited

Definition at line 196 of file BasisFunction.hh.

◆ m_coeffs

Eigen::VectorXd CASM::Variable::m_coeffs

private

Definition at line 36 of file Variable.hh.

◆ m_dof_set

DoFSet CASM::Variable::m_dof_set

private

Definition at line 33 of file Variable.hh.

◆ m_formula

std::string CASM::Function::m_formula

mutableprotectedinherited

Definition at line 221 of file BasisFunction.hh.

◆ m_identifiers

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

privateinherited

Definition at line 268 of file BasisFunction.hh.

◆ m_tex_formula

std::string CASM::Function::m_tex_formula

protectedinherited

Definition at line 221 of file BasisFunction.hh.

◆ operation_table

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

staticprotectedinherited

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

Detailed Description

Public Member Functions

Static Public Member Functions

Protected Types

Protected Member Functions

Static Protected Member Functions

Protected Attributes

Static Protected Attributes

Private Member Functions

Private Attributes

Static Private Attributes

Member Typedef Documentation

◆ ArgumentContainer

Constructor & Destructor Documentation

◆ Variable() [1/3]

◆ Variable() [2/3]

◆ Variable() [3/3]

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()

◆ coeffs()

◆ compare() [1/2]

◆ compare() [2/2]

◆ copy()

◆ depends_on()

◆ dof_IDs()

◆ dof_set()

◆ dot()

◆ extend_hierarchy()

◆ fill_dispatch_table()

◆ formula()

◆ from_json()

◆ get_class_ID()

◆ get_coefficient()

◆ get_coeffs()

◆ get_eigen_coeffs()

◆ ID()

◆ identifier()

◆ is_zero()

◆ leading_coefficient() [1/2]

◆ leading_coefficient() [2/2]

◆ make_formula()

◆ minus()

◆ minus_equals()

◆ minus_in_place()

◆ multiply()

◆ new_class_ID() [1/2]

◆ new_class_ID() [2/2]

◆ normalize()

◆ num_args()

◆ num_terms()

◆ plus()

◆ plus_equals()

◆ plus_in_place()

◆ poly_quotient()

◆ poly_remainder()

◆ print()

◆ print_tex()

◆ refresh_ID()

◆ register_remotes()

◆ remote_deval()

◆ remote_eval()

◆ scale()

◆ sclass_ID()