#include <UnitCellCoord.hh>

Inheritance diagram for CASM::xtal::UnitCellCoord:

Detailed Description

Unit Cell Coordinates.

Represent a crystal site using UnitCell indices and sublattice index

Definition at line 120 of file UnitCellCoord.hh.

Public Types
typedef BasicStructure	PrimType

typedef Base::MostDerived	MostDerived

Public Member Functions
	UnitCellCoord (Index _sublat, const UnitCell &_unitcell)

	UnitCellCoord (Index _sublat, Index i, Index j, Index k)

	UnitCellCoord ()

	UnitCellCoord (const UnitCellCoord &B)=default

UnitCellCoord &	operator= (const UnitCellCoord &B)=default

	UnitCellCoord (UnitCellCoord &&B)=default

UnitCellCoord &	operator= (UnitCellCoord &&B)=default

const UnitCell &	unitcell () const

Index	sublattice () const

Coordinate	coordinate (const PrimType &prim) const
	Get corresponding coordinate. More...

Site	site (const PrimType &prim) const
	Get a copy of corresponding site. More...

const Site &	sublattice_site (const PrimType &prim) const
	Get reference to corresponding sublattice site in the unit structure. More...

bool	operator> (const MostDerived &B) const

bool	operator<= (const MostDerived &B) const

bool	operator>= (const MostDerived &B) const

bool	operator== (const MostDerived &B) const

bool	operator!= (const MostDerived &B) const

Static Public Member Functions
static UnitCellCoord	from_coordinate (const PrimType &, const Coordinate &coord, double tol)

Protected Member Functions
bool	eq_impl (const MostDerived &B) const

bool	ne_impl (const MostDerived &B) const

Private Member Functions
UnitCell &	_unitcell ()

Index &	_sublattice ()

bool	_is_compatible_with_prim (const PrimType &prim) const

Static Private Member Functions
static void	_throw_incompatible_primitive_cell ()

Private Attributes
UnitCell	m_unitcell

Index	m_sublat

Friends
struct	Comparisons< Translatable< CRTPBase< UnitCellCoord > > >
	make _eq accessible More...

Index	operator[] (Index i) const

UnitCellCoord &	operator+= (UnitCell frac)

bool	operator< (const UnitCellCoord &B) const
	Compare UnitCellCoord. More...

bool	eq_impl (const UnitCellCoord &B) const

Member Typedef Documentation

◆ MostDerived

template<typename Base >

typedef Base::MostDerived notstd::Comparisons< Base >::MostDerived

inherited

Definition at line 27 of file Comparisons.hh.

◆ PrimType

typedef BasicStructure CASM::xtal::UnitCellCoord::PrimType

Definition at line 123 of file UnitCellCoord.hh.

Constructor & Destructor Documentation

◆ UnitCellCoord() [1/5]

CASM::xtal::UnitCellCoord::UnitCellCoord	(	Index	_sublat,
		const UnitCell &	_unitcell
	)

inline

Definition at line 125 of file UnitCellCoord.hh.

◆ UnitCellCoord() [2/5]

CASM::xtal::UnitCellCoord::UnitCellCoord	(	Index	_sublat,
		Index	i,
		Index	j,
		Index	k
	)

inline

Definition at line 134 of file UnitCellCoord.hh.

◆ UnitCellCoord() [3/5]

CASM::xtal::UnitCellCoord::UnitCellCoord ( )

inlineexplicit

Definition at line 137 of file UnitCellCoord.hh.

◆ UnitCellCoord() [4/5]

CASM::xtal::UnitCellCoord::UnitCellCoord ( const UnitCellCoord & B )

default

◆ UnitCellCoord() [5/5]

CASM::xtal::UnitCellCoord::UnitCellCoord ( UnitCellCoord && B )

default

Member Function Documentation

◆ _is_compatible_with_prim()

bool CASM::xtal::UnitCellCoord::_is_compatible_with_prim ( const PrimType & prim ) const

private

Returns false if the sublattice of *this is greater than the number of sites in the given prmitive structure

Definition at line 78 of file UnitCellCoord.cc.

◆ _sublattice()

Index& CASM::xtal::UnitCellCoord::_sublattice ( )

inlineprivate

Definition at line 176 of file UnitCellCoord.hh.

◆ _throw_incompatible_primitive_cell()

void CASM::xtal::UnitCellCoord::_throw_incompatible_primitive_cell ( )

staticprivate

Definition at line 82 of file UnitCellCoord.cc.

◆ _unitcell()

UnitCell& CASM::xtal::UnitCellCoord::_unitcell ( )

inlineprivate

Definition at line 174 of file UnitCellCoord.hh.

◆ coordinate()

Coordinate CASM::xtal::UnitCellCoord::coordinate ( const PrimType & prim ) const

Get corresponding coordinate.

Definition at line 74 of file UnitCellCoord.cc.

◆ eq_impl() [1/2]

template<typename Base >

bool notstd::Comparisons< Base >::eq_impl ( const MostDerived & B ) const

inlineprotectedinherited

Definition at line 40 of file Comparisons.hh.

◆ eq_impl() [2/2]

bool CASM::xtal::UnitCellCoord::eq_impl ( const UnitCellCoord & B ) const

inlineprivate

Definition at line 225 of file UnitCellCoord.hh.

◆ from_coordinate()

UnitCellCoord CASM::xtal::UnitCellCoord::from_coordinate	(	const PrimType &	prim,
		const Coordinate &	coord,
		double	tol
	)

static

Definition at line 54 of file UnitCellCoord.cc.

◆ ne_impl()

template<typename Base >

bool notstd::Comparisons< Base >::ne_impl ( const MostDerived & B ) const

inlineprotectedinherited

Definition at line 44 of file Comparisons.hh.

◆ operator!=()

template<typename Base >

bool notstd::Comparisons< Base >::operator!= ( const MostDerived & B ) const

inlineinherited

Definition at line 37 of file Comparisons.hh.

◆ operator+=()

UnitCellCoord & CASM::xtal::UnitCellCoord::operator+= ( UnitCell frac )

inline

Definition at line 202 of file UnitCellCoord.hh.

◆ operator<()

bool CASM::xtal::UnitCellCoord::operator< ( const UnitCellCoord & B ) const

inline

Compare UnitCellCoord.

Definition at line 208 of file UnitCellCoord.hh.

◆ operator<=()

template<typename Base >

bool notstd::Comparisons< Base >::operator<= ( const MostDerived & B ) const

inlineinherited

Definition at line 31 of file Comparisons.hh.

◆ operator=() [1/2]

UnitCellCoord& CASM::xtal::UnitCellCoord::operator= ( const UnitCellCoord & B )

default

◆ operator=() [2/2]

UnitCellCoord& CASM::xtal::UnitCellCoord::operator= ( UnitCellCoord && B )

default

◆ operator==()

template<typename Base >

bool notstd::Comparisons< Base >::operator== ( const MostDerived & B ) const

inlineinherited

Definition at line 35 of file Comparisons.hh.

◆ operator>()

template<typename Base >

bool notstd::Comparisons< Base >::operator> ( const MostDerived & B ) const

inlineinherited

Definition at line 29 of file Comparisons.hh.

◆ operator>=()

template<typename Base >

bool notstd::Comparisons< Base >::operator>= ( const MostDerived & B ) const

inlineinherited

Definition at line 33 of file Comparisons.hh.

◆ operator[]()

Index CASM::xtal::UnitCellCoord::operator[] ( Index i ) const

inline

Definition at line 195 of file UnitCellCoord.hh.

◆ site()

Site CASM::xtal::UnitCellCoord::site ( const PrimType & prim ) const

Get a copy of corresponding site.

Get corresponding site.

Definition at line 88 of file UnitCellCoord.cc.

◆ sublattice()

Index CASM::xtal::UnitCellCoord::sublattice ( ) const

inline

Definition at line 152 of file UnitCellCoord.hh.

◆ sublattice_site()

const Site & CASM::xtal::UnitCellCoord::sublattice_site ( const PrimType & prim ) const

Get reference to corresponding sublattice site in the unit structure.

Definition at line 97 of file UnitCellCoord.cc.

◆ unitcell()

const UnitCell& CASM::xtal::UnitCellCoord::unitcell ( ) const

inline

Definition at line 150 of file UnitCellCoord.hh.

Friends And Related Function Documentation

◆ Comparisons< Translatable< CRTPBase< UnitCellCoord > > >

friend struct Comparisons< Translatable< CRTPBase< UnitCellCoord > > >

friend

make _eq accessible

Definition at line 168 of file UnitCellCoord.hh.

Member Data Documentation

◆ m_sublat

Index CASM::xtal::UnitCellCoord::m_sublat

private

Definition at line 188 of file UnitCellCoord.hh.

◆ m_unitcell

UnitCell CASM::xtal::UnitCellCoord::m_unitcell

private

Definition at line 187 of file UnitCellCoord.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/crystallography/UnitCellCoord.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/crystallography/UnitCellCoord.cc

Detailed Description

Public Types

Public Member Functions

Static Public Member Functions

Protected Member Functions

Private Member Functions

Static Private Member Functions

Private Attributes

Friends

Member Typedef Documentation

◆ MostDerived

◆ PrimType

Constructor & Destructor Documentation

◆ UnitCellCoord() [1/5]

◆ UnitCellCoord() [2/5]

◆ UnitCellCoord() [3/5]

◆ UnitCellCoord() [4/5]

◆ UnitCellCoord() [5/5]

Member Function Documentation

◆ _is_compatible_with_prim()

◆ _sublattice()

◆ _throw_incompatible_primitive_cell()

◆ _unitcell()

◆ coordinate()

◆ eq_impl() [1/2]

◆ eq_impl() [2/2]

◆ from_coordinate()

◆ ne_impl()

◆ operator!=()

◆ operator+=()

◆ operator<()

◆ operator<=()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator==()

◆ operator>()

◆ operator>=()

◆ operator[]()

◆ site()

◆ sublattice()

◆ sublattice_site()

◆ unitcell()

Friends And Related Function Documentation

◆ Comparisons< Translatable< CRTPBase< UnitCellCoord > > >

Member Data Documentation

◆ m_sublat

◆ m_unitcell