CASM::SupercellIterator< UnitType > Class Template Reference

#include <SupercellEnumerator.hh>

Detailed Description

template<typename UnitType>
class CASM::SupercellIterator< UnitType >

Iterators used with SupercellEnumerator.

Allows iterating over unique supercells of a UnitType object (may be Lattice, eventually BasicStructure, or Structure)

Definition at line 252 of file SupercellEnumerator.hh.

Public Types
typedef int	difference_type
typedef UnitType	value_type
typedef const UnitType &	reference
typedef const UnitType *	pointer

Public Member Functions
	SupercellIterator ()
	SupercellIterator (const SupercellEnumerator< UnitType > &enumerator, int volume, int dims)
SupercellIterator< UnitType > &	operator= (const SupercellIterator< UnitType > &B)
bool	operator== (const SupercellIterator< UnitType > &B) const
	Iterator comparison. More...
bool	operator!= (const SupercellIterator< UnitType > &B) const
	Iterator comparison. More...
reference	operator* () const
	Access the supercell. More...
pointer	operator-> () const
	Access the supercell. More...
Eigen::Matrix3i	matrix () const
	constructed supercell matrix More...
HermiteCounter::value_type	volume () const
	current volume More...
const SupercellEnumerator < UnitType > &	enumerator () const
	const reference to the SupercellEnumerator this is iterating with More...
SupercellIterator< UnitType > &	operator++ ()
	Prefix increment operator. Increment to next unique supercell. More...

Public Attributes
EIGEN_MAKE_ALIGNED_OPERATOR_NEW typedef std::forward_iterator_tag	iterator_category
	fixes alignment of m_deformation More...

Private Member Functions
void	_increment ()
	Postfix increment operator. Increment to next unique supercell. More...
void	_try_increment ()
	Check if the current supercell matrix hermite normal form is in a canonical form. More...
void	_update_super ()
	Update m_super when required. More...

Private Attributes
bool	m_super_updated
	Indicates if m_super reflects the current m_current supercell matrix. More...
const SupercellEnumerator < UnitType > *	m_enum
	Pointer to SupercellEnumerator which holds the unit cell and point group. More...
notstd::cloneable_ptr < HermiteCounter >	m_current
	Current supercell matrix in HermitCounter form. More...
UnitType	m_super
	A supercell, stored here so that iterator dereferencing will be OK. Only used when requested. More...
std::vector< Eigen::Matrix3i >	m_canon_hist
	Keep track of the HNF matrices for the current determinant value. More...

Member Typedef Documentation

template<typename UnitType>

typedef int CASM::SupercellIterator< UnitType >::difference_type

Definition at line 260 of file SupercellEnumerator.hh.

template<typename UnitType>

typedef const UnitType* CASM::SupercellIterator< UnitType >::pointer

Definition at line 263 of file SupercellEnumerator.hh.

template<typename UnitType>

typedef const UnitType& CASM::SupercellIterator< UnitType >::reference

Definition at line 262 of file SupercellEnumerator.hh.

template<typename UnitType>

typedef UnitType CASM::SupercellIterator< UnitType >::value_type

Definition at line 261 of file SupercellEnumerator.hh.

Constructor & Destructor Documentation

template<typename UnitType>

CASM::SupercellIterator< UnitType >::SupercellIterator ( )

inline

Definition at line 265 of file SupercellEnumerator.hh.

Member Function Documentation

template<typename UnitType>

void CASM::SupercellIterator< UnitType >::_try_increment ( )

private

Check if the current supercell matrix hermite normal form is in a canonical form.

Increment the supercell matrix by one (maintaining hermite normal form)

template<typename UnitType>

void CASM::SupercellIterator< UnitType >::_update_super ( )

private

Update m_super when required.

Member Data Documentation

template<typename UnitType>

EIGEN_MAKE_ALIGNED_OPERATOR_NEW typedef std::forward_iterator_tag CASM::SupercellIterator< UnitType >::iterator_category

fixes alignment of m_deformation

Definition at line 259 of file SupercellEnumerator.hh.

template<typename UnitType>

std::vector<Eigen::Matrix3i> CASM::SupercellIterator< UnitType >::m_canon_hist

private

Keep track of the HNF matrices for the current determinant value.

Definition at line 333 of file SupercellEnumerator.hh.

template<typename UnitType>

notstd::cloneable_ptr<HermiteCounter> CASM::SupercellIterator< UnitType >::m_current

private

Current supercell matrix in HermitCounter form.

Definition at line 327 of file SupercellEnumerator.hh.

template<typename UnitType>

const SupercellEnumerator<UnitType>* CASM::SupercellIterator< UnitType >::m_enum

private

Pointer to SupercellEnumerator which holds the unit cell and point group.

Definition at line 324 of file SupercellEnumerator.hh.

template<typename UnitType>

UnitType CASM::SupercellIterator< UnitType >::m_super

mutableprivate

A supercell, stored here so that iterator dereferencing will be OK. Only used when requested.

Definition at line 330 of file SupercellEnumerator.hh.

template<typename UnitType>

bool CASM::SupercellIterator< UnitType >::m_super_updated

mutableprivate

Indicates if m_super reflects the current m_current supercell matrix.

Definition at line 321 of file SupercellEnumerator.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/crystallography/SupercellEnumerator.hh