#include <LatticeEnumEquivalents.hh>

Inheritance diagram for CASM::LatticeEnumEquivalents:

Detailed Description

Enumerate equivalent Lattics, given a SymGroup.

The 'begin' Lattice is always the canonical form, with respect to the specified SymGroup
Currently requires super_g to have a valid MasterSymGroup. This requirement could be relaxed if the comparison function is changed.

Definition at line 32 of file LatticeEnumEquivalents.hh.

Public Types
typedef InputEnumIterator< ValueType, IsConst >	iterator

typedef ValueType	value_type

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

typedef long	step_type

Public Member Functions
	LatticeEnumEquivalents (const xtal::Lattice &lat, const SymGroup &super_g)
	Constructor. More...

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

const xtal::Lattice &	generator () const

const CASM::SymOp &	sym_op () const

const std::vector< CASM::SymOp > &	invariant_subgroup () 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
	Implement increment. More...

bool	_check (const CASM::SymOp &X) const

Private Attributes
notstd::cloneable_ptr< xtal::Lattice >	m_initial

notstd::cloneable_ptr< xtal::Lattice >	m_current

std::vector< CASM::SymOp >::const_iterator	m_symop_it

std::vector< CASM::SymOp >::const_iterator	m_symop_end

std::vector< CASM::SymOp >	m_invariant_subgroup

SymRepIndexCompare	m_compare

friend	InputEnumIteratorBase< ValueType, IsConst >

CASM_TMP::ConstSwitch< IsConst, value_type > *	m_current_ptr

bool	m_valid

step_type	m_step

Member Typedef Documentation

◆ iterator

template<typename ValueType , bool IsConst = true>

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

inherited

Definition at line 204 of file InputEnumerator.hh.

◆ reference

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

inherited

Definition at line 174 of file Enumerator.hh.

◆ step_type

typedef long CASM::EnumeratorBase::step_type

inherited

Definition at line 175 of file Enumerator.hh.

◆ value_type

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

inherited

Definition at line 173 of file Enumerator.hh.

Constructor & Destructor Documentation

◆ LatticeEnumEquivalents()

CASM::LatticeEnumEquivalents::LatticeEnumEquivalents	(	const xtal::Lattice &	lat,
		const SymGroup &	super_g
	)

Constructor.

Parameters

lat	Lattice to generate equivalents of
super_g	The super group to use to generate equivalents. Must have a valid MasterSymGroup.
tol	Tolerance used for checking equivalence

Exceptions

std::runtime_error if super_g does not have a MasterSymGroup

Definition at line 37 of file LatticeEnumEquivalents.cc.

Member Function Documentation

◆ _check()

bool CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::_check ( const CASM::SymOp & X ) const

inlineprivateinherited

Returns true for one element (the "minimum" SymOp) of the left cosets of the invariant subgroup

Definition at line 122 of file EnumEquivalents.hh.

◆ _decrement_step()

void CASM::EnumeratorBase::_decrement_step

inlineprotectedinherited

Decrement current step value.

Definition at line 202 of file Enumerator.hh.

◆ _increment_step()

void CASM::EnumeratorBase::_increment_step

inlineprotectedinherited

Increment current step value.

Definition at line 203 of file Enumerator.hh.

◆ _initialize() [1/2]

void CASM::EnumeratorBase::_initialize

inlineprotectedinherited

Initialize

Sets step to 0
Sets valid to true

Definition at line 190 of file Enumerator.hh.

◆ _initialize() [2/2]

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()

void CASM::EnumeratorBase::_invalidate

inlineprotectedinherited

Call if enumeration complete.

Definition at line 204 of file Enumerator.hh.

◆ _set_current_ptr()

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]

void CASM::EnumeratorBase::_set_step

inlineprotectedinherited

Set current step value.

Definition at line 205 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()

template<typename ValueType , bool IsConst = true>

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

inlineinherited

Definition at line 216 of file InputEnumerator.hh.

◆ current()

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

inlineinherited

Access the current ObjectType by reference.

Definition at line 211 of file Enumerator.hh.

◆ end()

template<typename ValueType , bool IsConst = true>

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

inlineinherited

Definition at line 220 of file InputEnumerator.hh.

◆ generator()

const xtal::Lattice & CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::generator ( ) const

inlineinherited

Definition at line 91 of file EnumEquivalents.hh.

◆ increment()

void CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::increment ( )

inlineoverrideprivatevirtualinherited

Implement increment.

Implements CASM::InputEnumeratorBase< ValueType, IsConst >.

Definition at line 103 of file EnumEquivalents.hh.

◆ invariant_subgroup()

const std::vector<CASM::SymOp >& CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::invariant_subgroup ( ) const

inlineinherited

Definition at line 95 of file EnumEquivalents.hh.

◆ name() [1/2]

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

inherited

Derived enumerators must implement name, via ENUM_MEMBERS.

◆ name() [2/2]

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

inlineoverridevirtual

Derived enumerators must implement name, via ENUM_MEMBERS.

Implements CASM::EnumeratorBase.

Definition at line 39 of file LatticeEnumEquivalents.hh.

◆ 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]

virtual jsonParser CASM::EnumeratorBase::source

inlineinherited

Default Object source just uses step#

Returns:

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

Definition at line 185 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]

step_type CASM::EnumeratorBase::step

inlineinherited

Increments with each enumerated object.

Definition at line 186 of file Enumerator.hh.

◆ sym_op()

const CASM::SymOp & CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::sym_op ( ) const

inlineinherited

Definition at line 93 of file EnumEquivalents.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]

bool CASM::EnumeratorBase::valid

inlineinherited

Returns false if enumeration is complete.

Definition at line 187 of file Enumerator.hh.

Member Data Documentation

◆ enumerator_name

const std::string CASM::LatticeEnumEquivalents::enumerator_name

static

Initial value:

=

"LatticeEnumEquivalents"

Definition at line 41 of file LatticeEnumEquivalents.hh.

◆ InputEnumIteratorBase< ValueType, IsConst >

template<typename ValueType , bool IsConst = true>

friend CASM::InputEnumeratorBase< ValueType, IsConst >::InputEnumIteratorBase< ValueType, IsConst >

privateinherited

Definition at line 198 of file InputEnumerator.hh.

◆ m_compare

SymRepIndexCompare CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::m_compare

privateinherited

Definition at line 133 of file EnumEquivalents.hh.

◆ m_current

notstd::cloneable_ptr<xtal::Lattice > CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::m_current

privateinherited

Definition at line 129 of file EnumEquivalents.hh.

◆ m_current_ptr

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

privateinherited

Definition at line 220 of file Enumerator.hh.

◆ m_initial

notstd::cloneable_ptr<xtal::Lattice > CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::m_initial

privateinherited

Definition at line 128 of file EnumEquivalents.hh.

◆ m_invariant_subgroup

std::vector<CASM::SymOp > CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::m_invariant_subgroup

privateinherited

Definition at line 132 of file EnumEquivalents.hh.

◆ m_step

step_type CASM::EnumeratorBase::m_step

privateinherited

Definition at line 167 of file Enumerator.hh.

◆ m_symop_end

std::vector< CASM::SymOp >::const_iterator CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::m_symop_end

privateinherited

Definition at line 131 of file EnumEquivalents.hh.

◆ m_symop_it

std::vector< CASM::SymOp >::const_iterator CASM::EnumEquivalents< xtal::Lattice , std::vector< CASM::SymOp >::const_iterator , CASM::SymOp , SymRepIndexCompare >::m_symop_it

privateinherited

Definition at line 130 of file EnumEquivalents.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/crystallography/LatticeEnumEquivalents.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/crystallography/LatticeEnumEquivalents.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

◆ LatticeEnumEquivalents()

Member Function Documentation

◆ _check()

◆ _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()

◆ generator()

◆ increment()

◆ invariant_subgroup()

◆ name() [1/2]

◆ name() [2/2]

◆ source() [1/2]

◆ source() [2/2]

◆ step() [1/2]

◆ step() [2/2]

◆ sym_op()

◆ valid() [1/2]

◆ valid() [2/2]

Member Data Documentation

◆ enumerator_name

◆ InputEnumIteratorBase< ValueType, IsConst >

◆ m_compare

◆ m_current

◆ m_current_ptr

◆ m_initial

◆ m_invariant_subgroup

◆ m_step

◆ m_symop_end

◆ m_symop_it

◆ m_valid