#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

Definition at line 26 of file SuperConfigEnum.hh.

Public Types
typedef InputEnumIterator < Configuration, IsConst >	iterator

typedef Configuration	value_type

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

typedef long	step_type

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

template<typename ConfigIterator >
	SuperConfigEnum (Supercell &_target_scel, ConfigIterator _begin, ConfigIterator _end, PermuteIterator _perm_begin, PermuteIterator _perm_end)
	Constructor. More...

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

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

const Array< int > &	counter () const
	Access the current value of the counter. More...

const PrimGrid &	prim_grid () const
	Access the PrimGrid. More...

iterator	begin ()

iterator	end ()

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

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

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

virtual jsonParser	source (step_type step) const

Static Public Member Functions
static int	run (PrimClex &primclex, const jsonParser &kwargs, const Completer::EnumOption &enum_opt)

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

static const std::string	interface_help

Protected Member Functions
void	_initialize (value_type *_initial)

void	_initialize ()

void	_set_current_ptr (value_type *_new)
	Change the pointer. More...

value_type &	_current ()
	Access the current ObjectType by reference. More...

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

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

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

void	_invalidate ()
	Call if enumeration complete. 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 &	_target_supercell ()
	Access the super-config supercell. More...

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

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

PrimGrid &	_prim_grid ()
	Access the PrimGrid. More...

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

const PermuteIterator &	_perm_begin () const

const PermuteIterator &	_perm_end () const

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

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

PermuteIterator	m_perm_begin

PermuteIterator	m_perm_end

Supercell *	m_sub_scel

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

Counter< Array< int > >	m_counter

notstd::cloneable_ptr< PrimGrid >	m_prim_grid
	A PrimGrid that tiles thes sub_scel into the ref_scel. More...

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

bool	m_has_occ

bool	m_has_disp

Member Typedef Documentation

typedef InputEnumIterator<Configuration , IsConst> CASM::InputEnumeratorBase< Configuration , IsConst >::iterator

inherited

Definition at line 231 of file InputEnumerator.hh.

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

inherited

Definition at line 192 of file Enumerator.hh.

typedef long CASM::EnumeratorBase::step_type

inherited

Definition at line 103 of file Enumerator.hh.

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

inherited

Definition at line 191 of file Enumerator.hh.

Constructor & Destructor Documentation

template<typename ConfigIterator >

CASM::SuperConfigEnum::SuperConfigEnum	(	Supercell &	_target_scel,
		ConfigIterator	_begin,
		ConfigIterator	_end
	)

Constructor, using all Supercell permutations.

Definition at line 158 of file SuperConfigEnum.hh.

template<typename ConfigIterator >

CASM::SuperConfigEnum::SuperConfigEnum	(	Supercell &	_target_scel,
		ConfigIterator	_begin,
		ConfigIterator	_end,
		PermuteIterator	_perm_begin,
		PermuteIterator	_perm_end
	)

Constructor.

Definition at line 170 of file SuperConfigEnum.hh.

Member Function Documentation

bool CASM::SuperConfigEnum::_check_current ( ) const

private

Returns true if current() satisifies requested conditions.

Returns true if current() satisfies requested conditions.

Definition at line 292 of file SuperConfigEnum.cc.

value_type& CASM::ValEnumerator< Configuration , IsConst >::_current ( )

inlineprotectedinherited

Access the current ObjectType by reference.

Definition at line 244 of file Enumerator.hh.

void CASM::EnumeratorBase::_decrement_step ( )

inlineprotectedinherited

Decrement current step value.

Definition at line 164 of file Enumerator.hh.

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

private

Fill DoF from sub_config into a Configuration

Parameters

summary The index of the sub_config on each PrimGrid site

Fill DoF from sub_config into a Configuration

Parameters

counter_val	The index of the sub_config on each PrimGrid site
config	The Configuration to set the occupation of

Definition at line 302 of file SuperConfigEnum.cc.

void CASM::EnumeratorBase::_increment_step ( )

inlineprotectedinherited

Increment current step value.

Definition at line 159 of file Enumerator.hh.

void CASM::SuperConfigEnum::_init ( )

private

Used by constructor.

Definition at line 208 of file SuperConfigEnum.cc.

void CASM::EnumeratorBase::_initialize ( )

inlineprotectedinherited

Initialize

Sets step to 0
Sets valid to true

Definition at line 148 of file Enumerator.hh.

void CASM::ValEnumerator< Configuration , IsConst >::_initialize ( value_type * _initial )

inlineprotectedinherited

Initialize

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

Definition at line 216 of file Enumerator.hh.

void CASM::EnumeratorBase::_invalidate ( )

inlineprotectedinherited

Call if enumeration complete.

Definition at line 169 of file Enumerator.hh.

const PermuteIterator& CASM::SuperConfigEnum::_perm_begin ( ) const

inlineprivate

Definition at line 120 of file SuperConfigEnum.hh.

const PermuteIterator& CASM::SuperConfigEnum::_perm_end ( ) const

inlineprivate

Definition at line 123 of file SuperConfigEnum.hh.

PrimGrid& CASM::SuperConfigEnum::_prim_grid ( )

inlineprivate

Access the PrimGrid.

Definition at line 111 of file SuperConfigEnum.hh.

void CASM::ValEnumerator< Configuration , IsConst >::_set_current_ptr ( value_type * _new )

inlineprotectedinherited

Change the pointer.

Definition at line 239 of file Enumerator.hh.

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

inlineprotectedinherited

Set current step value.

Definition at line 154 of file Enumerator.hh.

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

inlineprivate

Access the sub-configurations.

Definition at line 106 of file SuperConfigEnum.hh.

Supercell& CASM::SuperConfigEnum::_sub_supercell ( )

inlineprivate

Access the sub-config supercell.

Definition at line 101 of file SuperConfigEnum.hh.

Supercell& CASM::SuperConfigEnum::_target_supercell ( )

inlineprivate

Access the super-config supercell.

Definition at line 96 of file SuperConfigEnum.hh.

void CASM::EnumeratorBase::_validate ( )

inlineprotectedinherited

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

Definition at line 174 of file Enumerator.hh.

iterator CASM::InputEnumeratorBase< Configuration , IsConst >::begin ( )

inlineinherited

Definition at line 245 of file InputEnumerator.hh.

const Array<int>& 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 PrimGrid location

Definition at line 67 of file SuperConfigEnum.hh.

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

inlineinherited

Access the current ObjectType by reference.

Definition at line 232 of file Enumerator.hh.

iterator CASM::InputEnumeratorBase< Configuration , IsConst >::end ( )

inlineinherited

Definition at line 249 of file InputEnumerator.hh.

void CASM::SuperConfigEnum::increment ( )

overrideprivatevirtual

Implement increment.

Implements CASM::InputEnumeratorBase< Configuration >.

Definition at line 274 of file SuperConfigEnum.cc.

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

inlineoverridevirtual

Derived enumerators must implement name, via ENUM_MEMBERS.

Implements CASM::EnumeratorBase.

Definition at line 46 of file SuperConfigEnum.hh.

const PrimGrid& CASM::SuperConfigEnum::prim_grid ( ) const

inline

Access the PrimGrid.

The PrimGrid tiles the sub-configurations into the super-configuration
sub_config()[counter()[i]] is tiled into the i-th PrimGrid location

Definition at line 75 of file SuperConfigEnum.hh.

int CASM::SuperConfigEnum::run	(	PrimClex &	primclex,
		const jsonParser &	kwargs,
		const Completer::EnumOption &	enum_opt
	)

static

Definition at line 149 of file SuperConfigEnum.cc.

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 131 of file Enumerator.hh.

step_type CASM::EnumeratorBase::step ( ) const

inlineinherited

Increments with each enumerated object.

Definition at line 113 of file Enumerator.hh.

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

inline

Access the sub-configurations.

Definition at line 58 of file SuperConfigEnum.hh.

bool CASM::EnumeratorBase::valid ( ) const

inlineinherited

Returns false if enumeration is complete.

Definition at line 118 of file Enumerator.hh.

Member Data Documentation

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

static

Definition at line 50 of file SuperConfigEnum.hh.

const std::string CASM::SuperConfigEnum::interface_help

static

Definition at line 51 of file SuperConfigEnum.hh.

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

private

Definition at line 142 of file SuperConfigEnum.hh.

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

private

The 'current' Configuration.

Definition at line 140 of file SuperConfigEnum.hh.

bool CASM::SuperConfigEnum::m_has_disp

private

Definition at line 151 of file SuperConfigEnum.hh.

bool CASM::SuperConfigEnum::m_has_occ

private

Definition at line 150 of file SuperConfigEnum.hh.

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 148 of file SuperConfigEnum.hh.

PermuteIterator CASM::SuperConfigEnum::m_perm_begin

private

Definition at line 134 of file SuperConfigEnum.hh.

PermuteIterator CASM::SuperConfigEnum::m_perm_end

private

Definition at line 134 of file SuperConfigEnum.hh.

notstd::cloneable_ptr<PrimGrid> CASM::SuperConfigEnum::m_prim_grid

private

A PrimGrid that tiles thes sub_scel into the ref_scel.

Definition at line 145 of file SuperConfigEnum.hh.

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

private

A vector containing each possible sub_config.

Definition at line 132 of file SuperConfigEnum.hh.

Supercell* CASM::SuperConfigEnum::m_sub_scel

private

Definition at line 137 of file SuperConfigEnum.hh.

Supercell& CASM::SuperConfigEnum::m_target_scel

private

The supercell being filled.

Definition at line 129 of file SuperConfigEnum.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 Member Functions

Static Public Attributes

Protected Member Functions

Private Member Functions

Private Attributes

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation