#include <ConfigEnumAllOccupations.hh>

Inheritance diagram for CASM::ConfigEnumAllOccupations:

Detailed Description

Enumerate over all possible occupations on particular sites in a Configuration

Definition at line 30 of file ConfigEnumAllOccupations.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
	ConfigEnumAllOccupations (ConfigEnumInput const &config_enum_input)
	Construct with a Supercell, using all permutations. More...

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

bool	canonical_guarantee () const

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

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. More...

bool	_current_is_valid_for_output () const
	Returns true if current() is primitive and canonical. More...

Private Attributes
std::set< Index >	m_site_index_selection
	Site index to enumerate on. More...

Counter< std::vector< int > >	m_counter
	Counter over allowed occupation indices on sites in m_site_index_selection. More...

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

bool	m_enumerate_on_a_subset_of_supercell_sites
	True if enumerating on a subset of supercell sites. 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

◆ ConfigEnumAllOccupations()

CASM::ConfigEnumAllOccupations::ConfigEnumAllOccupations ( ConfigEnumInput const & config_enum_input )

Construct with a Supercell, using all permutations.

Construct with a ConfigEnumInput, specifying which sites to enumerate on and which to keep fixed

Note:

The output configurations are set to fixed occupation matching config_enum_input.configuration() on all sites not included in config_enum_input.sites().
All allowed occupation values are enumerated on the selected sites (config_enum_input.sites()), but Configuration are only output if the are primitive.
If all sites are selected, then only canonical Configuration are output. This can be checked with this->canonical_guarantee().

Definition at line 41 of file ConfigEnumAllOccupations.cc.

Member Function Documentation

◆ _current_is_valid_for_output()

bool CASM::ConfigEnumAllOccupations::_current_is_valid_for_output ( ) const

private

Returns true if current() is primitive and canonical.

Returns true if current() is valid for output

When enumerating on all sites:

Require output configurations are primitive and canonical When enumerating on a subset of sites:
Require output configurations are primitive (but not canonical)

Definition at line 103 of file ConfigEnumAllOccupations.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.

◆ _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< Configuration , true >::begin ( )

inlineinherited

Definition at line 216 of file InputEnumerator.hh.

◆ canonical_guarantee()

bool CASM::ConfigEnumAllOccupations::canonical_guarantee ( ) const

Returns true if enumerator is guaranteed to output canonical configurations

Output is sometimes canonical (when enumerating on all supercell sites) and sometimes not (when enumerating on a subset of supercell sites). If this returns true, then the output is guaranteed to be in canonical form.

Definition at line 75 of file ConfigEnumAllOccupations.cc.

◆ 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::ConfigEnumAllOccupations::increment ( )

overrideprivatevirtual

Implements increment.

Implements _increment over all occupations.

Implements CASM::InputEnumeratorBase< Configuration >.

Definition at line 83 of file ConfigEnumAllOccupations.cc.

◆ name() [1/2]

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

overridevirtual

Derived enumerators must implement name, via ENUM_MEMBERS.

Implements CASM::EnumeratorBase.

Definition at line 68 of file ConfigEnumAllOccupations.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.

◆ 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::ConfigEnumAllOccupations::enumerator_name

static

Initial value:

=

"ConfigEnumAllOccupations"

Definition at line 55 of file ConfigEnumAllOccupations.hh.

◆ InputEnumIteratorBase< ValueType, IsConst >

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

privateinherited

Definition at line 198 of file InputEnumerator.hh.

◆ m_counter

Counter<std::vector<int> > CASM::ConfigEnumAllOccupations::m_counter

private

Counter over allowed occupation indices on sites in m_site_index_selection.

Definition at line 76 of file ConfigEnumAllOccupations.hh.

◆ m_current

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

private

The current configuration.

Definition at line 79 of file ConfigEnumAllOccupations.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_enumerate_on_a_subset_of_supercell_sites

bool CASM::ConfigEnumAllOccupations::m_enumerate_on_a_subset_of_supercell_sites

private

True if enumerating on a subset of supercell sites.

Definition at line 82 of file ConfigEnumAllOccupations.hh.

◆ m_site_index_selection

std::set<Index> CASM::ConfigEnumAllOccupations::m_site_index_selection

private

Site index to enumerate on.

Definition at line 73 of file ConfigEnumAllOccupations.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/ConfigEnumAllOccupations.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/clex/ConfigEnumAllOccupations.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

◆ ConfigEnumAllOccupations()

Member Function Documentation

◆ _current_is_valid_for_output()

◆ _decrement_step()

◆ _increment_step()

◆ _initialize() [1/2]

◆ _initialize() [2/2]

◆ _invalidate()

◆ _set_current_ptr()

◆ _set_step() [1/2]

◆ _set_step() [2/2]

◆ _validate()

◆ begin()

◆ canonical_guarantee()

◆ current()

◆ end()

◆ increment()

◆ name() [1/2]

◆ name() [2/2]

◆ 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_counter

◆ m_current

◆ m_current_ptr

◆ m_enumerate_on_a_subset_of_supercell_sites

◆ m_site_index_selection

◆ m_step

◆ m_valid