CASM::OccupantDoFIsEquivalent< OccType > Class Template Reference

#include <DoFIsEquivalent.hh>

Detailed Description

template<typename OccType>
class CASM::OccupantDoFIsEquivalent< OccType >

Class for checking equivalence of two OccupantDoF objects, with respect to symmetry transformations.

OccupantDoFs dofA and dofB are considered equivalent if

• dofA and dofB have the same number of allowed occupants AND
• each allowed occupant of dofA is also an allowed occupant of dofB AND
• if compare_occupant is set to TRUE, the current occupant of dofA is equivalent to the current occupant of dofB

Definition at line 75 of file DoFIsEquivalent.hh.

Public Types
using	OccDoFType = std::vector< OccType >

Public Member Functions
	OccupantDoFIsEquivalent (OccDoFType const &_dof, double tol=TOL)
bool	operator() (OccDoFType const &_other) const
bool	operator() (xtal::SymOp const &_op) const
	returns true if copy_apply(_op,m_dof) = P.permute(m_dof) More...
bool	operator() (xtal::SymOp const &_op, OccDoFType const &_other) const
	returns true if copy_apply(_op,m_dof) = P.permute(_other) More...
Permutation const &	perm () const

Private Attributes
OccDoFType	m_dof
double	m_tol
Permutation	m_P

Member Typedef Documentation

OccDoFType

template<typename OccType >

using CASM::OccupantDoFIsEquivalent< OccType >::OccDoFType = std::vector<OccType>

Definition at line 77 of file DoFIsEquivalent.hh.

Constructor & Destructor Documentation

OccupantDoFIsEquivalent()

template<typename OccType >

CASM::OccupantDoFIsEquivalent< OccType >::OccupantDoFIsEquivalent ( OccDoFType const &  _dof, double  tol = TOL  )

inline

Definition at line 79 of file DoFIsEquivalent.hh.

Member Function Documentation

operator()() [1/3]

template<typename OccType >

bool CASM::OccupantDoFIsEquivalent< OccType >::operator()

(

OccDoFType const &

_other

)

const

returns true if m_dof and _other have matching labels, and m_dof = P.permute(_other)

Definition at line 8 of file DoFIsEquivalent_impl.hh.

operator()() [2/3]

template<typename OccType >

bool CASM::OccupantDoFIsEquivalent< OccType >::operator()

(

xtal::SymOp const &

_op

)

const

returns true if copy_apply(_op,m_dof) = P.permute(m_dof)

Definition at line 28 of file DoFIsEquivalent_impl.hh.

operator()() [3/3]

template<typename OccType >

bool CASM::OccupantDoFIsEquivalent< OccType >::operator()	(	xtal::SymOp const &	_op,
		OccDoFType const &	_other
	)		const

returns true if copy_apply(_op,m_dof) = P.permute(_other)

Definition at line 48 of file DoFIsEquivalent_impl.hh.

perm()

template<typename OccType >

Permutation const& CASM::OccupantDoFIsEquivalent< OccType >::perm ( ) const

inline

return transformation permutation P calculated during last successful comparison

Definition at line 94 of file DoFIsEquivalent.hh.

Member Data Documentation

m_dof

template<typename OccType >

OccDoFType CASM::OccupantDoFIsEquivalent< OccType >::m_dof

private

Definition at line 97 of file DoFIsEquivalent.hh.

m_P

template<typename OccType >

Permutation CASM::OccupantDoFIsEquivalent< OccType >::m_P

mutableprivate

Definition at line 101 of file DoFIsEquivalent.hh.

m_tol

template<typename OccType >

double CASM::OccupantDoFIsEquivalent< OccType >::m_tol

private

Definition at line 99 of file DoFIsEquivalent.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/DoFIsEquivalent.hh
• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/basis_set/DoFIsEquivalent_impl.hh