#include <OccupantFunction.hh>

Inheritance diagram for CASM::OccupantFunction:

Detailed Description

Definition at line 25 of file OccupantFunction.hh.

Public Member Functions
	OccupantFunction (const DiscreteDoF &init_var, const Eigen::VectorXd &init_eval, int _occ_func_ind, int _basis_ind, SymGroupRepID _sym_rep_ID)

	OccupantFunction (const OccupantFunction &RHS)

	~OccupantFunction ()

int	class_ID () const

std::string	type_name () const

Index	occ_func_ind () const

Index	basis_ind () const

void	set_basis_ind (int new_ind)

const DiscreteDoF &	dof () const

Function *	copy () const

bool	is_zero () const

Index	num_terms () const

const Eigen::VectorXd &	eval_table () const

double	leading_coefficient () const

double	leading_coefficient (Index &index) const

double	get_coefficient (Index i) const

void	small_to_zero (double tol=TOL)

void	scale (double scale_factor)

void	make_formula () const

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

bool	compare (const OccupantFunction *RHS) const

Eigen::VectorXd const *	get_eigen_coeffs () const

double	remote_eval () const

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

double	cache_eval () const

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

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

jsonParser &	to_json (jsonParser &json) const

void	from_json (const jsonParser &json)

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 bool	depends_on (const Function *test_func) const

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

virtual SparseTensor< double > const *	get_coeffs () const

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

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

Static Public Member Functions
static int	sclass_ID ()

static void	fill_dispatch_table ()

static void	print_table ()

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

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

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

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

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

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

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 * > > ()

Private Member Functions
	OccupantFunction ()

Private Attributes
DiscreteDoF *	m_var

Eigen::VectorXd	m_eval_table

SymGroupRepID	m_sym_rep_ID

Index	m_occ_func_ind

Index	m_basis_ind

Member Typedef Documentation

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

protectedinherited

Definition at line 46 of file BasisFunction.hh.

Constructor & Destructor Documentation

CASM::OccupantFunction::OccupantFunction	(	const DiscreteDoF &	init_var,
		const Eigen::VectorXd &	init_eval,
		int	_occ_func_ind,
		int	_basis_ind,
		SymGroupRepID	_sym_rep_ID
	)

inline

Definition at line 28 of file OccupantFunction.hh.

CASM::OccupantFunction::OccupantFunction ( const OccupantFunction & RHS )

inline

Definition at line 31 of file OccupantFunction.hh.

CASM::OccupantFunction::~OccupantFunction ( )

inline

Definition at line 34 of file OccupantFunction.hh.

CASM::OccupantFunction::OccupantFunction ( )

inlineprivate

Definition at line 125 of file OccupantFunction.hh.

Member Function Documentation

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

protectedvirtual

Implements CASM::Function.

Definition at line 47 of file OccupantFunction.cc.

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

protectedvirtual

Implements CASM::Function.

Definition at line 258 of file OccupantFunction.cc.

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

protectedinherited

Definition at line 129 of file BasisFunction.cc.

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

protectedinherited

Definition at line 123 of file BasisFunction.cc.

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

protectedinherited

Definition at line 117 of file BasisFunction.cc.

int CASM::Function::_dependency_layer ( ) const

protectedinherited

Definition at line 135 of file BasisFunction.cc.

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

protectedinherited

Definition at line 107 of file BasisFunction.cc.

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

protectedvirtual

Reimplemented from CASM::Function.

Definition at line 150 of file OccupantFunction.cc.

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

inherited

Definition at line 150 of file BasisFunction.cc.

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

inlinevirtualinherited

Reimplemented in CASM::PolynomialFunction.

Definition at line 138 of file BasisFunction.hh.

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

inlineinherited

Definition at line 174 of file BasisFunction.hh.

Index CASM::OccupantFunction::basis_ind ( ) const

inline

Definition at line 50 of file OccupantFunction.hh.

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

inlinevirtual

Implements CASM::Function.

Definition at line 96 of file OccupantFunction.hh.

double CASM::OccupantFunction::cache_eval ( ) const

inlinevirtual

Implements CASM::Function.

Definition at line 92 of file OccupantFunction.hh.

int CASM::OccupantFunction::class_ID ( ) const

virtual

Implements CASM::Function.

Definition at line 24 of file OccupantFunction.cc.

void CASM::Function::clear_formula ( )

inlineinherited

Definition at line 86 of file BasisFunction.hh.

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

Definition at line 168 of file OccupantFunction.cc.

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

inherited

Definition at line 47 of file BasisFunction.cc.

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

virtual

Implements CASM::Function.

Definition at line 38 of file OccupantFunction.cc.

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

inlinevirtualinherited

Reimplemented in CASM::PolynomialFunction.

Definition at line 101 of file BasisFunction.hh.

const DiscreteDoF& CASM::OccupantFunction::dof ( ) const

inline

Definition at line 58 of file OccupantFunction.hh.

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

inherited

Definition at line 24 of file BasisFunction.cc.

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

virtual

Reimplemented from CASM::Function.

Definition at line 305 of file OccupantFunction.cc.

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

virtualinherited

Reimplemented in CASM::PolynomialFunction.

Definition at line 257 of file BasisFunction.cc.

const Eigen::VectorXd& CASM::OccupantFunction::eval_table ( ) const

inline

Definition at line 68 of file OccupantFunction.hh.

static void CASM::Function::extend_hierarchy ( )

inlinestaticprotectedinherited

Definition at line 194 of file BasisFunction.hh.

void CASM::OccupantFunction::fill_dispatch_table ( )

static

Definition at line 13 of file OccupantFunction.cc.

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

inherited

Definition at line 227 of file BasisFunction.cc.

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

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

inlinestaticprotectedinherited

Definition at line 32 of file HierarchyID.hh.

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

virtual

Implements CASM::Function.

Definition at line 248 of file OccupantFunction.cc.

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

inlinevirtualinherited

Reimplemented in CASM::PolynomialFunction.

Definition at line 115 of file BasisFunction.hh.

Eigen::VectorXd const * CASM::OccupantFunction::get_eigen_coeffs ( ) const

virtual

Reimplemented from CASM::Function.

Definition at line 177 of file OccupantFunction.cc.

Index CASM::Function::ID ( ) const

inlineinherited

Definition at line 59 of file BasisFunction.hh.

bool CASM::OccupantFunction::is_zero ( ) const

virtual

Implements CASM::Function.

Definition at line 186 of file OccupantFunction.cc.

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

inlineinherited

Definition at line 76 of file BasisFunction.hh.

double CASM::OccupantFunction::leading_coefficient ( ) const

virtual

Implements CASM::Function.

Definition at line 224 of file OccupantFunction.cc.

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

virtual

Implements CASM::Function.

Definition at line 236 of file OccupantFunction.cc.

void CASM::OccupantFunction::make_formula ( ) const

virtual

Implements CASM::Function.

Definition at line 55 of file OccupantFunction.cc.

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

inherited

Definition at line 70 of file BasisFunction.cc.

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

inherited

Definition at line 98 of file BasisFunction.cc.

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

inherited

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.

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

inlinestaticprotectedinherited

Definition at line 17 of file HierarchyID.hh.

void CASM::Function::normalize ( )

inherited

Definition at line 29 of file BasisFunction.cc.

Index CASM::Function::num_args ( ) const

inlineinherited

Definition at line 63 of file BasisFunction.hh.

Index CASM::OccupantFunction::num_terms ( ) const

virtual

Implements CASM::Function.

Definition at line 211 of file OccupantFunction.cc.

Index CASM::OccupantFunction::occ_func_ind ( ) const

inline

Definition at line 46 of file OccupantFunction.hh.

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

inherited

Definition at line 65 of file BasisFunction.cc.

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

inherited

Definition at line 90 of file BasisFunction.cc.

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

inherited

Definition at line 75 of file BasisFunction.cc.

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

inherited

Definition at line 80 of file BasisFunction.cc.

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

inherited

Definition at line 173 of file BasisFunction.cc.

static void CASM::Function::print_table ( )

inlinestaticinherited

Definition at line 178 of file BasisFunction.hh.

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

inherited

Definition at line 182 of file BasisFunction.cc.

void CASM::Function::refresh_ID ( )

inherited

Definition at line 167 of file BasisFunction.cc.

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

virtual

Reimplemented from CASM::Function.

Definition at line 131 of file OccupantFunction.cc.

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

virtual

Implements CASM::Function.

Definition at line 294 of file OccupantFunction.cc.

double CASM::OccupantFunction::remote_eval ( ) const

virtual

Implements CASM::Function.

Definition at line 288 of file OccupantFunction.cc.

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

virtual

Implements CASM::Function.

Definition at line 279 of file OccupantFunction.cc.

int CASM::OccupantFunction::sclass_ID ( )

static

Definition at line 31 of file OccupantFunction.cc.

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

inlineinherited

Definition at line 169 of file BasisFunction.hh.

void CASM::OccupantFunction::set_basis_ind ( int new_ind )

inline

Definition at line 54 of file OccupantFunction.hh.

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

inlineinherited

Definition at line 79 of file BasisFunction.hh.

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

inlineinherited

Definition at line 73 of file BasisFunction.hh.

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

inlineinherited

Definition at line 83 of file BasisFunction.hh.

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

inherited

Definition at line 41 of file BasisFunction.cc.

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

virtual

Implements CASM::Function.

Definition at line 199 of file OccupantFunction.cc.

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

inherited

Definition at line 192 of file BasisFunction.cc.

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

inherited

Definition at line 237 of file BasisFunction.cc.

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

virtual

Reimplemented from CASM::Function.

Definition at line 328 of file OccupantFunction.cc.

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

inlinevirtual

Implements CASM::Function.

Definition at line 42 of file OccupantFunction.hh.

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

inherited

Definition at line 210 of file BasisFunction.cc.

Member Data Documentation

Index CASM::Function::func_ID

protectedinherited

Definition at line 204 of file BasisFunction.hh.

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

staticprotectedinherited

Definition at line 190 of file BasisFunction.hh.

Array<Index> CASM::Function::m_arg2fun

protectedinherited

Definition at line 229 of file BasisFunction.hh.

Array<Index> CASM::Function::m_arg2sub

protectedinherited

Definition at line 228 of file BasisFunction.hh.

ArgumentContainer CASM::Function::m_argument

protectedinherited

Definition at line 206 of file BasisFunction.hh.

Index CASM::OccupantFunction::m_basis_ind

private

Definition at line 123 of file OccupantFunction.hh.

Eigen::VectorXd CASM::OccupantFunction::m_eval_table

private

Definition at line 121 of file OccupantFunction.hh.

std::string CASM::Function::m_formula

mutableprotectedinherited

Definition at line 232 of file BasisFunction.hh.

std::string CASM::Function::m_label_format

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 220 of file BasisFunction.hh.

Index CASM::OccupantFunction::m_occ_func_ind

private

Definition at line 123 of file OccupantFunction.hh.

SymGroupRepID CASM::OccupantFunction::m_sym_rep_ID

private

Definition at line 122 of file OccupantFunction.hh.

std::string CASM::Function::m_tex_formula

mutableprotectedinherited

Definition at line 232 of file BasisFunction.hh.

DiscreteDoF* CASM::OccupantFunction::m_var

private

Definition at line 120 of file OccupantFunction.hh.

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

staticprotectedinherited

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

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation