#include <SuperConfigEnum.hh>

Inheritance diagram for CASM::SuperConfigEnum:

Detailed Description

Given a selection of Configurations, enumerate all tilings into some supercell.

'sub_config' is used to refer to the input 'building block' Configuration
- sub_config must all have the same Supercell
'target_scel' is used to refer to the Supercell that is being tiled by sub_config
enumerates all Configurations, including non-primitive and non-canonical

Notes:

Make use of is_valid_sub_configuration and make_all_super_configurations when preparing valid constructor inputs.

Definition at line 29 of file SuperConfigEnum.hh.

Public Types
typedef InputEnumIterator< Configuration, true >	iterator

typedef ValueType	value_type

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

typedef long	step_type

Public Member Functions
template<typename ConfigIterator >
	SuperConfigEnum (Supercell const &_target_scel, ConfigIterator sub_config_begin, ConfigIterator sub_config_end)
	Constructor, using all Supercell permutations. More...

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

std::vector< Configuration > const &	sub_config () const
	Access the sub-configurations. More...

Array< int > const &	counter () const
	Access the current value of the counter. 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 = "SuperConfigEnum"

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
	Implement increment. More...

void	_init ()
	Used by constructor. More...

bool	_check_current () const
	Returns true if current() satisifies requested conditions. More...

Supercell const &	_target_supercell ()
	Access the super-config supercell. More...

Supercell const &	_sub_supercell () const
	Access the sub-config supercell. More...

std::vector< Configuration > &	_sub_config ()
	Access the sub-configurations. More...

xtal::UnitCellIndexConverter &	_unitcell_index_converter ()
	Access the UnitCellIndexConverter. More...

void	_fill (Array< int > const &counter_val, Configuration &config)

Private Attributes
Supercell const &	m_target_scel
	The supercell being filled. More...

std::vector< Configuration >	m_sub_config
	A vector containing each possible sub_config. More...

Supercell const *	m_sub_scel

notstd::cloneable_ptr< Configuration >	m_current
	The 'current' Configuration. More...

Counter< Array< int > >	m_counter

notstd::cloneable_ptr< xtal::UnitCellIndexConverter >	m_unitcell_index_converter

std::vector< std::vector< Index > >	m_index_map
	m_current->occ(m_index_map[i][j]) = m_sub_scel[i].occ(j) More...

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<Configuration , true > CASM::InputEnumeratorBase< Configuration , 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

◆ SuperConfigEnum()

template<typename ConfigIterator >

CASM::SuperConfigEnum::SuperConfigEnum	(	Supercell const &	_target_scel,
		ConfigIterator	sub_config_begin,
		ConfigIterator	sub_config_end
	)

Constructor, using all Supercell permutations.

Constructor

Definition at line 114 of file SuperConfigEnum.hh.

Member Function Documentation

◆ _check_current()

bool CASM::SuperConfigEnum::_check_current ( ) const

private

Returns true if current() satisifies requested conditions.

Returns true if current() satisfies requested conditions.

Definition at line 102 of file SuperConfigEnum.cc.

◆ _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.

◆ _fill()

void CASM::SuperConfigEnum::_fill	(	Array< int > const &	counter_val,
		Configuration &	super_config
	)

private

Fill DoF from sub_config into a Configuration

Parameters

summary The index of the sub_config on each lattice site

Fill DoF from sub_config into a super configuration

Parameters

counter_val	The index of the sub_config on each lattice point
super_config	The super configuration to set the DoF values

Definition at line 109 of file SuperConfigEnum.cc.

◆ _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.

◆ _init()

void CASM::SuperConfigEnum::_init ( )

private

Used by constructor.

Definition at line 21 of file SuperConfigEnum.cc.

◆ _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.

◆ _sub_config()

std::vector<Configuration>& CASM::SuperConfigEnum::_sub_config ( )

inlineprivate

Access the sub-configurations.

Definition at line 76 of file SuperConfigEnum.hh.

◆ _sub_supercell()

Supercell const& CASM::SuperConfigEnum::_sub_supercell ( ) const

inlineprivate

Access the sub-config supercell.

Definition at line 73 of file SuperConfigEnum.hh.

◆ _target_supercell()

Supercell const& CASM::SuperConfigEnum::_target_supercell ( )

inlineprivate

Access the super-config supercell.

Definition at line 70 of file SuperConfigEnum.hh.

◆ _unitcell_index_converter()

xtal::UnitCellIndexConverter& CASM::SuperConfigEnum::_unitcell_index_converter ( )

inlineprivate

Access the UnitCellIndexConverter.

Definition at line 79 of file SuperConfigEnum.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< Configuration , true >::begin ( )

inlineinherited

Definition at line 216 of file InputEnumerator.hh.

◆ counter()

Array<int> const& CASM::SuperConfigEnum::counter ( ) const

inline

Access the current value of the counter.

The counter indicates how the sub-configurations tile into the super-configuration
sub_config()[counter()[i]] is tiled into the i-th lattice point location

Definition at line 53 of file SuperConfigEnum.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< Configuration , true >::end ( )

inlineinherited

Definition at line 220 of file InputEnumerator.hh.

◆ increment()

void CASM::SuperConfigEnum::increment ( )

overrideprivatevirtual

Implement increment.

Implements CASM::InputEnumeratorBase< Configuration >.

Definition at line 86 of file SuperConfigEnum.cc.

◆ name() [1/2]

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

overridevirtual

Derived enumerators must implement name, via ENUM_MEMBERS.

Implements CASM::EnumeratorBase.

Definition at line 17 of file SuperConfigEnum.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.

◆ 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.

◆ sub_config()

std::vector<Configuration> const& CASM::SuperConfigEnum::sub_config ( ) const

inline

Access the sub-configurations.

Definition at line 46 of file SuperConfigEnum.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::SuperConfigEnum::enumerator_name = "SuperConfigEnum"

static

Definition at line 41 of file SuperConfigEnum.hh.

◆ InputEnumIteratorBase< ValueType, IsConst >

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

privateinherited

Definition at line 198 of file InputEnumerator.hh.

◆ m_counter

Counter<Array<int> > CASM::SuperConfigEnum::m_counter

private

Definition at line 100 of file SuperConfigEnum.hh.

◆ m_current

notstd::cloneable_ptr<Configuration> CASM::SuperConfigEnum::m_current

private

The 'current' Configuration.

Definition at line 98 of file SuperConfigEnum.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_index_map

std::vector<std::vector<Index> > CASM::SuperConfigEnum::m_index_map

private

m_current->occ(m_index_map[i][j]) = m_sub_scel[i].occ(j)

Definition at line 108 of file SuperConfigEnum.hh.

◆ m_step

step_type CASM::EnumeratorBase::m_step

privateinherited

Definition at line 167 of file Enumerator.hh.

◆ m_sub_config

std::vector<Configuration> CASM::SuperConfigEnum::m_sub_config

private

A vector containing each possible sub_config.

Definition at line 92 of file SuperConfigEnum.hh.

◆ m_sub_scel

Supercell const* CASM::SuperConfigEnum::m_sub_scel

private

Definition at line 95 of file SuperConfigEnum.hh.

◆ m_target_scel

Supercell const& CASM::SuperConfigEnum::m_target_scel

private

The supercell being filled.

Definition at line 89 of file SuperConfigEnum.hh.

◆ m_unitcell_index_converter

notstd::cloneable_ptr<xtal::UnitCellIndexConverter> CASM::SuperConfigEnum::m_unitcell_index_converter

private

An ordered set of lattice points (UnitCell) that tile the sub_scel into the ref_scel

Definition at line 105 of file SuperConfigEnum.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/SuperConfigEnum.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/clex/SuperConfigEnum.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

◆ SuperConfigEnum()

Member Function Documentation

◆ _check_current()

◆ _decrement_step()

◆ _fill()

◆ _increment_step()

◆ _init()

◆ _initialize() [1/2]

◆ _initialize() [2/2]

◆ _invalidate()

◆ _set_current_ptr()

◆ _set_step() [1/2]

◆ _set_step() [2/2]

◆ _sub_config()

◆ _sub_supercell()

◆ _target_supercell()

◆ _unitcell_index_converter()

◆ _validate()

◆ begin()

◆ counter()

◆ current()

◆ end()

◆ increment()

◆ name() [1/2]

◆ name() [2/2]

◆ source() [1/2]

◆ source() [2/2]

◆ step() [1/2]

◆ step() [2/2]

◆ sub_config()

◆ valid() [1/2]

◆ valid() [2/2]

Member Data Documentation

◆ enumerator_name

◆ InputEnumIteratorBase< ValueType, IsConst >

◆ m_counter

◆ m_current

◆ m_current_ptr

◆ m_index_map

◆ m_step

◆ m_sub_config

◆ m_sub_scel

◆ m_target_scel

◆ m_unitcell_index_converter

◆ m_valid