CASM::ConfigIsEquivalent Class Reference

#include <ConfigIsEquivalent.hh>

Detailed Description

Class for comparison of Configurations (with the same Supercell)

• The call operators return the value for equality comparison, and if not equivalent, also store the result for less than comparison

Definition at line 20 of file ConfigIsEquivalent.hh.

Public Types
using	EquivPtr = notstd::cloneable_ptr< ConfigDoFIsEquivalent::Base >

Public Member Functions
	ConfigIsEquivalent (const Configuration &_config, double _tol, std::set< std::string > const &_which_dofs={"all"})
	ConfigIsEquivalent (const Configuration &_config, std::set< std::string > const &_which_dofs={"all"})
const Configuration &	config () const
std::vector< EquivPtr > const &	local_equivs () const
std::vector< EquivPtr > const &	global_equivs () const
bool	is_less () const
	Returns less than comparison. More...
bool	operator() (const Configuration &other) const
	Check if config == other, store config < other. More...
bool	operator() (const PermuteIterator &A) const
	Check if config == A*config, store config < A*config. More...
bool	operator() (const PermuteIterator &A, const PermuteIterator &B) const
	Check if A*config == B*config, store A*config < B*config. More...
bool	operator() (const PermuteIterator &A, const Configuration &other) const
	Check if config == A*other, store config < A*other. More...
bool	operator() (const PermuteIterator &A, const PermuteIterator &B, const Configuration &other) const
	Check if A*config == B*other, store A*config < B*other. More...

Private Attributes
const Configuration *	m_config
std::vector< EquivPtr >	m_global_equivs
std::vector< EquivPtr >	m_local_equivs
bool	m_less

Member Typedef Documentation

EquivPtr

using CASM::ConfigIsEquivalent::EquivPtr = notstd::cloneable_ptr<ConfigDoFIsEquivalent::Base>

Definition at line 22 of file ConfigIsEquivalent.hh.

Constructor & Destructor Documentation

ConfigIsEquivalent() [1/2]

CASM::ConfigIsEquivalent::ConfigIsEquivalent ( const Configuration &  _config, double  _tol, std::set< std::string > const &  _which_dofs = {"all"}  )

inline

Construct with config to be compared against, tolerance for comparison, and (optional) list of DoFs to compare if _wich_dofs is empty, no dofs will be compared (default is "all", in which case all DoFs are compared)

Definition at line 27 of file ConfigIsEquivalent.hh.

ConfigIsEquivalent() [2/2]

CASM::ConfigIsEquivalent::ConfigIsEquivalent ( const Configuration &  _config, std::set< std::string > const &  _which_dofs = {"all"}  )

inline

Definition at line 63 of file ConfigIsEquivalent.hh.

Member Function Documentation

config()

const Configuration& CASM::ConfigIsEquivalent::config ( ) const

inline

Definition at line 68 of file ConfigIsEquivalent.hh.

global_equivs()

std::vector<EquivPtr> const& CASM::ConfigIsEquivalent::global_equivs ( ) const

inline

Definition at line 72 of file ConfigIsEquivalent.hh.

is_less()

bool CASM::ConfigIsEquivalent::is_less ( ) const

inline

Returns less than comparison.

• Only valid after call operator returns false

Definition at line 77 of file ConfigIsEquivalent.hh.

local_equivs()

std::vector<EquivPtr> const& CASM::ConfigIsEquivalent::local_equivs ( ) const

inline

Definition at line 70 of file ConfigIsEquivalent.hh.

operator()() [1/5]

bool CASM::ConfigIsEquivalent::operator() ( const Configuration &  other ) const

inline

Check if config == other, store config < other.

• Currently assumes that both Configuration have the same DoF types

Definition at line 82 of file ConfigIsEquivalent.hh.

operator()() [2/5]

bool CASM::ConfigIsEquivalent::operator() ( const PermuteIterator &  A ) const

inline

Check if config == A*config, store config < A*config.

Definition at line 113 of file ConfigIsEquivalent.hh.

operator()() [3/5]

bool CASM::ConfigIsEquivalent::operator() ( const PermuteIterator &  A, const Configuration &  other  ) const

inline

Check if config == A*other, store config < A*other.

Definition at line 159 of file ConfigIsEquivalent.hh.

operator()() [4/5]

bool CASM::ConfigIsEquivalent::operator() ( const PermuteIterator &  A, const PermuteIterator &  B  ) const

inline

Check if A*config == B*config, store A*config < B*config.

Definition at line 136 of file ConfigIsEquivalent.hh.

operator()() [5/5]

bool CASM::ConfigIsEquivalent::operator() ( const PermuteIterator &  A, const PermuteIterator &  B, const Configuration &  other  ) const

inline

Check if A*config == B*other, store A*config < B*other.

Definition at line 180 of file ConfigIsEquivalent.hh.

Member Data Documentation

m_config

const Configuration* CASM::ConfigIsEquivalent::m_config

private

Definition at line 202 of file ConfigIsEquivalent.hh.

m_global_equivs

std::vector<EquivPtr> CASM::ConfigIsEquivalent::m_global_equivs

private

Definition at line 203 of file ConfigIsEquivalent.hh.

m_less

bool CASM::ConfigIsEquivalent::m_less

mutableprivate

Definition at line 205 of file ConfigIsEquivalent.hh.

m_local_equivs

std::vector<EquivPtr> CASM::ConfigIsEquivalent::m_local_equivs

private

Definition at line 204 of file ConfigIsEquivalent.hh.

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The documentation for this class was generated from the following file:

• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clex/ConfigIsEquivalent.hh