#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 44 of file BasisFunction.hh.

Public Member Functions
	Function (const Function &RHS)

	Function (const ArgumentContainer &_args)

	Function ()

virtual	~Function ()

void	refresh_ID ()

Index	ID () const

Index	num_args () 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_label_format (const std::string &format)

const std::string &	label_format () 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=NULL)

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 double	eval (const Array< Index > &dof_IDs, const Array< Index > &var_states) const

virtual double	eval (const Array< Index > &dof_IDs, const Array< double > &arg_states) const

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

bool	update_dof_IDs (const Array< Index > &before_IDs, const Array< 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 ()

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)

const ArgumentContainer &	argument_bases () const

virtual jsonParser &	to_json (jsonParser &json) const

Static Public Member Functions
static void	print_table ()

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

Protected Member Functions
ReturnArray< SymGroupRepID >	_sub_sym_reps () const

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=NULL)=0

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

Static Protected Member Functions
static void	extend_hierarchy ()

static int	new_class_ID ()

Protected Attributes
Index	func_ID

ArgumentContainer	m_argument

std::string	m_label_format

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 = Array<Array< InnerProduct * > > ()

static Array< Array < FunctionOperation * > >	operation_table = Array<Array< FunctionOperation * > > ()

Static Private Attributes
static Index	ID_count

Friends
class	HierarchyID< Function >

Member Typedef Documentation

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

protected

Definition at line 46 of file BasisFunction.hh.

Constructor & Destructor Documentation

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

inline

Definition at line 49 of file BasisFunction.hh.

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

CASM::Function::Function ( )

inline

Definition at line 53 of file BasisFunction.hh.

virtual CASM::Function::~Function ( )

inlinevirtual

Definition at line 57 of file BasisFunction.hh.

Member Function Documentation

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

protectedpure virtual

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

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

protectedpure virtual

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

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

protected

Definition at line 129 of file BasisFunction.cc.

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

protected

Definition at line 123 of file BasisFunction.cc.

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

protected

Definition at line 117 of file BasisFunction.cc.

int CASM::Function::_dependency_layer ( ) const

protected

Definition at line 135 of file BasisFunction.cc.

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

protected

Definition at line 107 of file BasisFunction.cc.

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

inlineprotectedvirtual

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

Definition at line 257 of file BasisFunction.hh.

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

Definition at line 150 of file BasisFunction.cc.

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

inlinevirtual

Reimplemented in CASM::PolynomialFunction.

Definition at line 138 of file BasisFunction.hh.

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

inline

Definition at line 174 of file BasisFunction.hh.

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

pure virtual

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

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

pure virtual

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

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

pure virtual

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

void CASM::Function::clear_formula ( )

inline

Definition at line 86 of file BasisFunction.hh.

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

Definition at line 47 of file BasisFunction.cc.

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

pure virtual

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

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

inlinevirtual

Reimplemented in CASM::PolynomialFunction.

Definition at line 101 of file BasisFunction.hh.

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

Definition at line 24 of file BasisFunction.cc.

double CASM::Function::eval	(	const Array< Index > &	dof_IDs,
		const Array< Index > &	var_states
	)		const

virtual

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

Definition at line 267 of file BasisFunction.cc.

double CASM::Function::eval	(	const Array< Index > &	dof_IDs,
		const Array< double > &	arg_states
	)		const

virtual

Reimplemented in CASM::PolynomialFunction.

Definition at line 257 of file BasisFunction.cc.

static void CASM::Function::extend_hierarchy ( )

inlinestaticprotected

Definition at line 194 of file BasisFunction.hh.

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

Definition at line 227 of file BasisFunction.cc.

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

pure virtual

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

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

inlinevirtual

Reimplemented in CASM::PolynomialFunction.

Definition at line 115 of file BasisFunction.hh.

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

inlinevirtual

Reimplemented in CASM::OccupantFunction.

Definition at line 119 of file BasisFunction.hh.

Index CASM::Function::ID ( ) const

inline

Definition at line 59 of file BasisFunction.hh.

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

pure virtual

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

const std::string& CASM::Function::label_format ( ) const

inline

Definition at line 76 of file BasisFunction.hh.

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

pure virtual

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

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

pure virtual

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

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

pure virtual

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

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

Definition at line 70 of file BasisFunction.cc.

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

Definition at line 98 of file BasisFunction.cc.

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

Definition at line 85 of file BasisFunction.cc.

template<typename Base>

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

inlinestaticprotectedinherited

Definition at line 17 of file HierarchyID.hh.

void CASM::Function::normalize ( )

Definition at line 29 of file BasisFunction.cc.

Index CASM::Function::num_args ( ) const

inline

Definition at line 63 of file BasisFunction.hh.

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

pure virtual

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

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

Definition at line 65 of file BasisFunction.cc.

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

Definition at line 90 of file BasisFunction.cc.

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

Definition at line 75 of file BasisFunction.cc.

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

Definition at line 80 of file BasisFunction.cc.

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

Definition at line 173 of file BasisFunction.cc.

static void CASM::Function::print_table ( )

inlinestatic

Definition at line 178 of file BasisFunction.hh.

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

Definition at line 182 of file BasisFunction.cc.

void CASM::Function::refresh_ID ( )

Definition at line 167 of file BasisFunction.cc.

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

virtual

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

Definition at line 199 of file BasisFunction.cc.

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

pure virtual

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

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

pure virtual

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

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

pure virtual

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

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

inline

Definition at line 169 of file BasisFunction.hh.

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

inline

Definition at line 79 of file BasisFunction.hh.

void CASM::Function::set_label_format ( const std::string & format )

inline

Definition at line 73 of file BasisFunction.hh.

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

inline

Definition at line 83 of file BasisFunction.hh.

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

Definition at line 41 of file BasisFunction.cc.

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

pure virtual

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

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

Definition at line 192 of file BasisFunction.cc.

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

Definition at line 237 of file BasisFunction.cc.

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

virtual

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

Definition at line 347 of file BasisFunction.cc.

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

pure virtual

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

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

Definition at line 210 of file BasisFunction.cc.

Friends And Related Function Documentation

friend class HierarchyID< Function >

friend

Definition at line 262 of file BasisFunction.hh.

Member Data Documentation

Index CASM::Function::func_ID

protected

Definition at line 204 of file BasisFunction.hh.

Index CASM::Function::ID_count

staticprivate

Definition at line 263 of file BasisFunction.hh.

Array< Array< InnerProduct * > > CASM::Function::inner_prod_table = Array<Array< InnerProduct * > > ()

staticprotected

Definition at line 190 of file BasisFunction.hh.

Array<Index> CASM::Function::m_arg2fun

protected

Definition at line 229 of file BasisFunction.hh.

Array<Index> CASM::Function::m_arg2sub

protected

Definition at line 228 of file BasisFunction.hh.

ArgumentContainer CASM::Function::m_argument

protected

Definition at line 206 of file BasisFunction.hh.

std::string CASM::Function::m_formula

mutableprotected

Definition at line 232 of file BasisFunction.hh.

std::string CASM::Function::m_label_format

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 220 of file BasisFunction.hh.

std::string CASM::Function::m_tex_formula

mutableprotected

Definition at line 232 of file BasisFunction.hh.

Array< Array< FunctionOperation * > > CASM::Function::operation_table = Array<Array< FunctionOperation * > > ()

staticprotected

Definition at line 191 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

Static Public Member Functions

Protected Types

Protected Member Functions

Static Protected Member Functions

Protected Attributes

Static Protected Attributes

Static Private Attributes

Friends

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation