#include <ScelEnum.hh>

Inheritance diagram for CASM::ScelEnumByProps:

Detailed Description

Enumerate symmetrically unique Supercell

Specify Supercell using xtal::ScelEnumProps (min/max volume, dirs, unit_cell)
Enumerated Supercell are canonical
Enumerated Supercell do not have a PrimClex const *
References are invalidated after incrementing an iterator

Definition at line 33 of file ScelEnum.hh.

Public Types
typedef InputEnumIterator< Supercell, true >	iterator

typedef ValueType	value_type

typedef CASM_TMP::ConstSwitch< IsConst, ValueType > &	reference

typedef long	step_type

Public Member Functions
	ScelEnumByProps (std::shared_ptr< const Structure > const &shared_prim, const xtal::ScelEnumProps &enum_props)
	Construct with shared prim Structure and ScelEnumProps settings. More...

	ScelEnumByProps (const ScelEnumByProps &)=delete

ScelEnumByProps &	operator= (const ScelEnumByProps &)=delete

	~ScelEnumByProps ()

std::string	name () const override
	Derived enumerators must implement name, via ENUM_MEMBERS. More...

iterator	begin ()

iterator	end ()

reference	current () const
	Access the current ObjectType by reference. More...

virtual std::string	name () const=0
	Derived enumerators must implement name, via ENUM_MEMBERS. More...

virtual jsonParser	source (step_type step) const

virtual jsonParser	source (step_type step) const

step_type	step () const
	Increments with each enumerated object. More...

step_type	step () const
	Increments with each enumerated object. More...

bool	valid () const
	Returns false if enumeration is complete. More...

bool	valid () const
	Returns false if enumeration is complete. More...

Static Public Attributes
static const std::string	enumerator_name = "ScelEnumByProps"

Protected Member Functions
void	_initialize (CASM_TMP::ConstSwitch< IsConst, value_type > *_initial)

void	_initialize ()

void	_set_current_ptr (CASM_TMP::ConstSwitch< IsConst, value_type > *_new)
	Change the pointer. More...

void	_decrement_step ()
	Decrement current step value. More...

void	_increment_step ()
	Increment current step value. More...

void	_invalidate ()
	Call if enumeration complete. More...

void	_set_step (step_type val)
	Set current step value. More...

void	_set_step (step_type val)
	Set current step value. More...

void	_validate ()
	Used if random access enumerator step is moved into valid range. More...

Private Member Functions
void	increment () override
	Implements increment over supercells. More...

Private Attributes
std::shared_ptr< Structure const >	m_shared_prim

notstd::cloneable_ptr< Supercell >	m_current

std::unique_ptr< xtal::SuperlatticeEnumerator >	m_lattice_enum

xtal::SuperlatticeEnumerator::const_iterator	m_lat_it

xtal::SuperlatticeEnumerator::const_iterator	m_lat_end

friend	InputEnumIteratorBase< ValueType, IsConst >

CASM_TMP::ConstSwitch< IsConst, value_type > *	m_current_ptr

bool	m_valid

step_type	m_step

Member Typedef Documentation

◆ iterator

typedef InputEnumIterator<Supercell , true > CASM::InputEnumeratorBase< Supercell , true >::iterator

inherited

Definition at line 204 of file InputEnumerator.hh.

◆ reference

template<typename ValueType , bool IsConst = true>

typedef CASM_TMP::ConstSwitch<IsConst, ValueType>& CASM::ValEnumerator< ValueType, IsConst >::reference

inherited

Definition at line 174 of file Enumerator.hh.

◆ step_type

template<typename ValueType , bool IsConst = true>

typedef long CASM::EnumeratorBase::step_type

inherited

Definition at line 107 of file Enumerator.hh.

◆ value_type

template<typename ValueType , bool IsConst = true>

typedef ValueType CASM::ValEnumerator< ValueType, IsConst >::value_type

inherited

Definition at line 173 of file Enumerator.hh.

Constructor & Destructor Documentation

◆ ScelEnumByProps() [1/2]

CASM::ScelEnumByProps::ScelEnumByProps	(	std::shared_ptr< const Structure > const &	shared_prim,
		const xtal::ScelEnumProps &	enum_props
	)

Construct with shared prim Structure and ScelEnumProps settings.

Parameters

shared_prim	A shared prim Structure for which to enumerate Supercells
enum_props	Specifies which Supercells to enumerate

Note: This variant does not require a PrimClex, and there for cannot insert Supercells into a Supercell database automatically.

Definition at line 25 of file ScelEnum.cc.

◆ ScelEnumByProps() [2/2]

CASM::ScelEnumByProps::ScelEnumByProps ( const ScelEnumByProps & )

delete

◆ ~ScelEnumByProps()

CASM::ScelEnumByProps::~ScelEnumByProps ( )

inline

Definition at line 41 of file ScelEnum.hh.

Member Function Documentation

◆ _decrement_step()

template<typename ValueType , bool IsConst = true>

void CASM::EnumeratorBase::_decrement_step

inlineprotectedinherited

Decrement current step value.

Definition at line 156 of file Enumerator.hh.

◆ _increment_step()

template<typename ValueType , bool IsConst = true>

void CASM::EnumeratorBase::_increment_step

inlineprotectedinherited

Increment current step value.

Definition at line 153 of file Enumerator.hh.

◆ _initialize() [1/2]

template<typename ValueType , bool IsConst = true>

void CASM::EnumeratorBase::_initialize

inlineprotectedinherited

Initialize

Sets step to 0
Sets valid to true

Definition at line 144 of file Enumerator.hh.

◆ _initialize() [2/2]

template<typename ValueType , bool IsConst = true>

void CASM::ValEnumerator< ValueType, IsConst >::_initialize ( CASM_TMP::ConstSwitch< IsConst, value_type > * _initial )

inlineprotectedinherited

Initialize

Sets current to point at _initial
Sets step to 0
Sets valid to true

Definition at line 197 of file Enumerator.hh.

◆ _invalidate()

template<typename ValueType , bool IsConst = true>

void CASM::EnumeratorBase::_invalidate

inlineprotectedinherited

Call if enumeration complete.

Definition at line 159 of file Enumerator.hh.

◆ _set_current_ptr()

template<typename ValueType , bool IsConst = true>

void CASM::ValEnumerator< ValueType, IsConst >::_set_current_ptr ( CASM_TMP::ConstSwitch< IsConst, value_type > * _new )

inlineprotectedinherited

Change the pointer.

Definition at line 215 of file Enumerator.hh.

◆ _set_step() [1/2]

void CASM::EnumeratorBase::_set_step ( step_type val )

inlineprotectedinherited

Set current step value.

Definition at line 150 of file Enumerator.hh.

◆ _set_step() [2/2]

template<typename ValueType , bool IsConst = true>

void CASM::EnumeratorBase::_set_step

inlineprotectedinherited

Set current step value.

Definition at line 150 of file Enumerator.hh.

◆ _validate()

void CASM::EnumeratorBase::_validate ( )

inlineprotectedinherited

Used if random access enumerator step is moved into valid range.

Definition at line 162 of file Enumerator.hh.

◆ begin()

iterator CASM::InputEnumeratorBase< Supercell , true >::begin ( )

inlineinherited

Definition at line 216 of file InputEnumerator.hh.

◆ current()

template<typename ValueType , bool IsConst = true>

reference CASM::ValEnumerator< ValueType, IsConst >::current ( ) const

inlineinherited

Access the current ObjectType by reference.

Definition at line 211 of file Enumerator.hh.

◆ end()

iterator CASM::InputEnumeratorBase< Supercell , true >::end ( )

inlineinherited

Definition at line 220 of file InputEnumerator.hh.

◆ increment()

void CASM::ScelEnumByProps::increment ( )

overrideprivatevirtual

Implements increment over supercells.

Implements CASM::InputEnumeratorBase< Supercell >.

Definition at line 55 of file ScelEnum.cc.

◆ name() [1/2]

std::string CASM::ScelEnumByProps::name ( ) const

overridevirtual

Derived enumerators must implement name, via ENUM_MEMBERS.

Implements CASM::EnumeratorBase.

Definition at line 48 of file ScelEnum.cc.

◆ name() [2/2]

template<typename ValueType , bool IsConst = true>

virtual std::string CASM::EnumeratorBase::name

inherited

Derived enumerators must implement name, via ENUM_MEMBERS.

◆ operator=()

ScelEnumByProps& CASM::ScelEnumByProps::operator= ( const ScelEnumByProps & )

delete

◆ source() [1/2]

virtual jsonParser CASM::EnumeratorBase::source ( step_type step ) const

inlinevirtualinherited

Default Object source just uses step#

Returns:

{
  "enumerated_by": "<enumerator_type>",
  "step": <step #>
}

Definition at line 129 of file Enumerator.hh.

◆ source() [2/2]

template<typename ValueType , bool IsConst = true>

virtual jsonParser CASM::EnumeratorBase::source

inlineinherited

Default Object source just uses step#

Returns:

{
  "enumerated_by": "<enumerator_type>",
  "step": <step #>
}

Definition at line 129 of file Enumerator.hh.

◆ step() [1/2]

step_type CASM::EnumeratorBase::step ( ) const

inlineinherited

Increments with each enumerated object.

Definition at line 115 of file Enumerator.hh.

◆ step() [2/2]

template<typename ValueType , bool IsConst = true>

step_type CASM::EnumeratorBase::step

inlineinherited

Increments with each enumerated object.

Definition at line 115 of file Enumerator.hh.

◆ valid() [1/2]

bool CASM::EnumeratorBase::valid ( ) const

inlineinherited

Returns false if enumeration is complete.

Definition at line 118 of file Enumerator.hh.

◆ valid() [2/2]

template<typename ValueType , bool IsConst = true>

bool CASM::EnumeratorBase::valid

inlineinherited

Returns false if enumeration is complete.

Definition at line 118 of file Enumerator.hh.

Member Data Documentation

◆ enumerator_name

const std::string CASM::ScelEnumByProps::enumerator_name = "ScelEnumByProps"

static

Definition at line 45 of file ScelEnum.hh.

◆ InputEnumIteratorBase< ValueType, IsConst >

friend CASM::InputEnumeratorBase< Supercell , true >::InputEnumIteratorBase< Supercell , true >

privateinherited

Definition at line 198 of file InputEnumerator.hh.

◆ m_current

notstd::cloneable_ptr<Supercell> CASM::ScelEnumByProps::m_current

private

Definition at line 52 of file ScelEnum.hh.

◆ m_current_ptr

template<typename ValueType , bool IsConst = true>

CASM_TMP::ConstSwitch<IsConst, value_type>* CASM::ValEnumerator< ValueType, IsConst >::m_current_ptr

privateinherited

Definition at line 220 of file Enumerator.hh.

◆ m_lat_end

xtal::SuperlatticeEnumerator::const_iterator CASM::ScelEnumByProps::m_lat_end

private

Definition at line 56 of file ScelEnum.hh.

◆ m_lat_it

xtal::SuperlatticeEnumerator::const_iterator CASM::ScelEnumByProps::m_lat_it

private

Definition at line 55 of file ScelEnum.hh.

◆ m_lattice_enum

std::unique_ptr<xtal::SuperlatticeEnumerator> CASM::ScelEnumByProps::m_lattice_enum

private

Definition at line 54 of file ScelEnum.hh.

◆ m_shared_prim

std::shared_ptr<Structure const> CASM::ScelEnumByProps::m_shared_prim

private

Definition at line 51 of file ScelEnum.hh.

◆ m_step

step_type CASM::EnumeratorBase::m_step

privateinherited

Definition at line 167 of file Enumerator.hh.

◆ m_valid

bool CASM::EnumeratorBase::m_valid

privateinherited

Definition at line 165 of file Enumerator.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clex/ScelEnum.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/clex/ScelEnum.cc

Detailed Description

Public Types

Public Member Functions

Static Public Attributes

Protected Member Functions

Private Member Functions

Private Attributes

Member Typedef Documentation

◆ iterator

◆ reference

◆ step_type

◆ value_type

Constructor & Destructor Documentation

◆ ScelEnumByProps() [1/2]

◆ ScelEnumByProps() [2/2]

◆ ~ScelEnumByProps()

Member Function Documentation

◆ _decrement_step()

◆ _increment_step()

◆ _initialize() [1/2]

◆ _initialize() [2/2]

◆ _invalidate()

◆ _set_current_ptr()

◆ _set_step() [1/2]

◆ _set_step() [2/2]

◆ _validate()

◆ begin()

◆ current()

◆ end()

◆ increment()

◆ name() [1/2]

◆ name() [2/2]

◆ operator=()

◆ source() [1/2]

◆ source() [2/2]

◆ step() [1/2]

◆ step() [2/2]

◆ valid() [1/2]

◆ valid() [2/2]

Member Data Documentation

◆ enumerator_name

◆ InputEnumIteratorBase< ValueType, IsConst >

◆ m_current

◆ m_current_ptr

◆ m_lat_end

◆ m_lat_it

◆ m_lattice_enum

◆ m_shared_prim

◆ m_step

◆ m_valid