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CASM::PolynomialFunction Class Reference

#include <PolynomialFunction.hh>

+ Inheritance diagram for CASM::PolynomialFunction:

Detailed Description

Definition at line 22 of file PolynomialFunction.hh.

Public Member Functions

 PolynomialFunction ()
 
 PolynomialFunction (const std::vector< std::shared_ptr< BasisSet > > &_args)
 
 PolynomialFunction (const std::vector< std::shared_ptr< BasisSet > > &_args, const PolyTrie< double > &_coeffs)
 
 PolynomialFunction (const PolynomialFunction &RHS)
 
 PolynomialFunction (const PolynomialFunction &RHS, const PolyTrie< double > &_coeffs)
 
 PolynomialFunction (const PolynomialFunction &LHS, const PolynomialFunction &RHS)
 
SparseTensor< double > const * get_coeffs () const
 
const PolyTrie< double > & poly_coeffs () const
 
std::string type_name () const
 
Function * copy () const
 
Function * copy (const PolyTrie< double > &new_coeffs) const
 
bool depends_on (const Function *test_func) const
 
bool is_zero () const
 
void small_to_zero (double tol=TOL)
 
Index num_terms () const
 
double leading_coefficient () const
 
double leading_coefficient (Index &index) const
 
double get_coefficient (Index i) const
 
void make_formula () const
 
void make_formula (double prefactor) const
 
int class_ID () const
 
Function * transform_monomial_and_add_new (double prefactor, const Array< Index > &ind, const SymOp &op, const std::vector< bool > &transform_flags)
 
Function * transform_monomial_and_add (double prefactor, const Array< Index > &ind, const SymOp &op)
 
void scale (double scale_factor)
 
double frobenius_scalar_prod (const PolynomialFunction &RHS) const
 
double box_integral_scalar_prod (const PolynomialFunction &RHS, double edge_length) const
 
double gaussian_integral_scalar_prod (const PolynomialFunction &RHS, double std_dev) const
 
bool compare (const PolynomialFunction *RHS) const
 
bool prune_zeros ()
 
Function * plus_equals (const PolynomialFunction *RHS)
 
Function * minus_equals (const PolynomialFunction *RHS)
 
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
 
double eval (const Array< Index > &dof_IDs, const Array< double > &arg_states) const
 
double poly_eval (const Array< double > &arg_states) const
 
Function * apply_sym_coeffs (const SymOp &op, int dependency_layer)
 
Function * poly_quotient (const Variable *RHS) const
 
Function * poly_remainder (const Variable *RHS) const
 
Function * poly_quotient (const OccupantFunction *RHS) const
 
Function * poly_remainder (const OccupantFunction *RHS) const
 
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 ()
 
bool accept (const FunctionVisitor &visitor, BasisSet const *home_basis_ptr=NULL)
 
virtual Eigen::VectorXd const * get_eigen_coeffs () 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)
 
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 fill_dispatch_table ()
 
static int sclass_ID ()
 
static void print_table ()
 

Protected Types

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

Protected Member Functions

Function * _apply_sym (const SymOp &op)
 
Function * _apply_sym (const SymOp &op, const std::vector< bool > &transform_flags)
 
bool _accept (const FunctionVisitor &visitor, BasisSet const *home_basis_ptr=NULL)
 
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 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 ()
 
static int get_class_ID ()
 
static int new_class_ID ()
 

Protected Attributes

PolyTrie< double > m_coeffs
 
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 * > > ()
 

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::PolynomialFunction::PolynomialFunction ( )
inline

Definition at line 25 of file PolynomialFunction.hh.

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

Definition at line 16 of file PolynomialFunction.cc.

CASM::PolynomialFunction::PolynomialFunction ( const std::vector< std::shared_ptr< BasisSet > > &  _args,
const PolyTrie< double > &  _coeffs 
)

Definition at line 37 of file PolynomialFunction.cc.

CASM::PolynomialFunction::PolynomialFunction ( const PolynomialFunction &  RHS)

Definition at line 127 of file PolynomialFunction.cc.

CASM::PolynomialFunction::PolynomialFunction ( const PolynomialFunction &  RHS,
const PolyTrie< double > &  _coeffs 
)

Definition at line 133 of file PolynomialFunction.cc.

CASM::PolynomialFunction::PolynomialFunction ( const PolynomialFunction &  LHS,
const PolynomialFunction &  RHS 
)

Definition at line 63 of file PolynomialFunction.cc.

Member Function Documentation

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

Implements CASM::Function.

Definition at line 156 of file PolynomialFunction.cc.

Function * CASM::PolynomialFunction::_apply_sym ( const SymOp &  op)
protectedvirtual

Implements CASM::Function.

Definition at line 395 of file PolynomialFunction.cc.

Function * CASM::PolynomialFunction::_apply_sym ( const SymOp &  op,
const std::vector< bool > &  transform_flags 
)
protected

Definition at line 415 of file PolynomialFunction.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.

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

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 
)
inherited

Definition at line 150 of file BasisFunction.cc.

Function * CASM::PolynomialFunction::apply_sym_coeffs ( const SymOp &  op,
int  dependency_layer 
)
virtual

Reimplemented from CASM::Function.

Definition at line 958 of file PolynomialFunction.cc.

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

Definition at line 174 of file BasisFunction.hh.

double CASM::PolynomialFunction::box_integral_scalar_prod ( const PolynomialFunction &  RHS,
double  edge_length 
) const

Definition at line 882 of file PolynomialFunction.cc.

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

Implements CASM::Function.

Definition at line 743 of file PolynomialFunction.cc.

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

Implements CASM::Function.

Definition at line 723 of file PolynomialFunction.cc.

int CASM::PolynomialFunction::class_ID ( ) const
inlinevirtual

Implements CASM::Function.

Definition at line 63 of file PolynomialFunction.hh.

void CASM::Function::clear_formula ( )
inlineinherited

Definition at line 86 of file BasisFunction.hh.

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

Definition at line 936 of file PolynomialFunction.cc.

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

Definition at line 47 of file BasisFunction.cc.

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

Implements CASM::Function.

Definition at line 144 of file PolynomialFunction.cc.

Function * CASM::PolynomialFunction::copy ( const PolyTrie< double > &  new_coeffs) const

Definition at line 150 of file PolynomialFunction.cc.

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

Reimplemented from CASM::Function.

Definition at line 161 of file PolynomialFunction.cc.

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

Definition at line 24 of file BasisFunction.cc.

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

Reimplemented from CASM::Function.

Definition at line 784 of file PolynomialFunction.cc.

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

Reimplemented from CASM::Function.

Definition at line 800 of file PolynomialFunction.cc.

static void CASM::Function::extend_hierarchy ( )
inlinestaticprotectedinherited

Definition at line 194 of file BasisFunction.hh.

void CASM::PolynomialFunction::fill_dispatch_table ( )
static

Definition at line 361 of file PolynomialFunction.cc.

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

Definition at line 227 of file BasisFunction.cc.

double CASM::PolynomialFunction::frobenius_scalar_prod ( const PolynomialFunction &  RHS) const

Definition at line 844 of file PolynomialFunction.cc.

double CASM::PolynomialFunction::gaussian_integral_scalar_prod ( const PolynomialFunction &  RHS,
double  std_dev 
) const
static int CASM::DerivedID< PolynomialFunction , Function >::get_class_ID ( )
inlinestaticprotectedinherited

Definition at line 32 of file HierarchyID.hh.

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

Implements CASM::Function.

Definition at line 233 of file PolynomialFunction.cc.

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

Reimplemented from CASM::Function.

Definition at line 381 of file PolynomialFunction.cc.

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

Reimplemented in CASM::OccupantFunction.

Definition at line 119 of file BasisFunction.hh.

Index CASM::Function::ID ( ) const
inlineinherited

Definition at line 59 of file BasisFunction.hh.

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

Implements CASM::Function.

Definition at line 185 of file PolynomialFunction.cc.

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

Definition at line 76 of file BasisFunction.hh.

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

Implements CASM::Function.

Definition at line 213 of file PolynomialFunction.cc.

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

Implements CASM::Function.

Definition at line 220 of file PolynomialFunction.cc.

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

Implements CASM::Function.

Definition at line 249 of file PolynomialFunction.cc.

void CASM::PolynomialFunction::make_formula ( double  prefactor) const
Function * CASM::Function::minus ( Function const *  RHS) const
inherited

Definition at line 70 of file BasisFunction.cc.

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

Definition at line 930 of file PolynomialFunction.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::PolynomialFunction::num_terms ( ) const
virtual

Implements CASM::Function.

Definition at line 201 of file PolynomialFunction.cc.

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

Definition at line 65 of file BasisFunction.cc.

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

Definition at line 952 of file PolynomialFunction.cc.

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

Definition at line 90 of file BasisFunction.cc.

const PolyTrie<double>& CASM::PolynomialFunction::poly_coeffs ( ) const
inline

Definition at line 39 of file PolynomialFunction.hh.

double CASM::PolynomialFunction::poly_eval ( const Array< double > &  arg_states) const

Definition at line 818 of file PolynomialFunction.cc.

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

Definition at line 972 of file PolynomialFunction.cc.

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

Definition at line 1029 of file PolynomialFunction.cc.

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

Definition at line 75 of file BasisFunction.cc.

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

Definition at line 1002 of file PolynomialFunction.cc.

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

Definition at line 1058 of file PolynomialFunction.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.

bool CASM::PolynomialFunction::prune_zeros ( )

Definition at line 948 of file PolynomialFunction.cc.

void CASM::Function::refresh_ID ( )
inherited

Definition at line 167 of file BasisFunction.cc.

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

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

Definition at line 199 of file BasisFunction.cc.

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

Implements CASM::Function.

Definition at line 682 of file PolynomialFunction.cc.

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

Implements CASM::Function.

Definition at line 658 of file PolynomialFunction.cc.

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

Implements CASM::Function.

Definition at line 387 of file PolynomialFunction.cc.

static int CASM::PolynomialFunction::sclass_ID ( )
inlinestatic

Definition at line 66 of file PolynomialFunction.hh.

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

Definition at line 169 of file BasisFunction.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::PolynomialFunction::small_to_zero ( double  tol = TOL)
virtual

Implements CASM::Function.

Definition at line 196 of file PolynomialFunction.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::Function::to_json ( jsonParser &  json) const
virtualinherited

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

Definition at line 347 of file BasisFunction.cc.

Function * CASM::PolynomialFunction::transform_monomial_and_add ( double  prefactor,
const Array< Index > &  ind,
const SymOp &  op 
)

Definition at line 435 of file PolynomialFunction.cc.

Function * CASM::PolynomialFunction::transform_monomial_and_add_new ( double  prefactor,
const Array< Index > &  ind,
const SymOp &  op,
const std::vector< bool > &  transform_flags 
)

Definition at line 561 of file PolynomialFunction.cc.

std::string CASM::PolynomialFunction::type_name ( ) const
inlinevirtual

Implements CASM::Function.

Definition at line 43 of file PolynomialFunction.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.

PolyTrie<double> CASM::PolynomialFunction::m_coeffs
protected

Definition at line 127 of file PolynomialFunction.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.

std::string CASM::Function::m_tex_formula
mutableprotectedinherited

Definition at line 232 of file BasisFunction.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: