#include <ConfigEnumStrain.hh>

Inheritance diagram for CASM::ConfigEnumStrain:

Detailed Description

Enumerate strained Configurations

Definition at line 20 of file ConfigEnumStrain.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
	ConfigEnumStrain (Supercell &scel, const Configuration &_init, const std::vector< Index > &subspace_partitions, const std::vector< double > &magnitudes, std::string _mode)

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...

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 = "ConfigEnumStrain"

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
	Implements increment over all strain states. More...

const PermuteIterator &	_perm_begin ()

const PermuteIterator &	_perm_end ()

Private Attributes
Configuration	m_current

EigenCounter< Eigen::VectorXd >	m_counter

Index	m_equiv_ind

StrainConverter	m_strain_calc

std::vector< Eigen::MatrixXd >	m_trans_mats

PermuteIterator	m_perm_begin

PermuteIterator	m_perm_end

Eigen::MatrixXd	m_shape_factor

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

CASM::ConfigEnumStrain::ConfigEnumStrain	(	Supercell &	scel,
		const Configuration &	_init,
		const std::vector< Index > &	subspace_partitions,
		const std::vector< double > &	magnitudes,
		std::string	_mode
	)

Definition at line 32 of file ConfigEnumStrain.cc.

Member Function Documentation

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::EnumeratorBase::_increment_step ( )

inlineprotectedinherited

Increment current step value.

Definition at line 159 of file Enumerator.hh.

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::ConfigEnumStrain::_perm_begin ( )

inlineprivate

Definition at line 60 of file ConfigEnumStrain.hh.

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

inlineprivate

Definition at line 63 of file ConfigEnumStrain.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.

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.

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::ConfigEnumStrain::increment ( )

overrideprivatevirtual

Implements increment over all strain states.

Implements CASM::InputEnumeratorBase< Configuration >.

Definition at line 172 of file ConfigEnumStrain.cc.

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

inlineoverridevirtual

Derived enumerators must implement name, via ENUM_MEMBERS.

Implements CASM::EnumeratorBase.

Definition at line 32 of file ConfigEnumStrain.hh.

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

static

Definition at line 25 of file ConfigEnumStrain.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.

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::ConfigEnumStrain::enumerator_name = "ConfigEnumStrain"

static

Definition at line 36 of file ConfigEnumStrain.hh.

const std::string CASM::ConfigEnumStrain::interface_help

static

Initial value:

=
    "ConfigEnumStrain: \n\n"
    "  ... include help documentation here ... \n\n"

Definition at line 37 of file ConfigEnumStrain.hh.

EigenCounter<Eigen::VectorXd> CASM::ConfigEnumStrain::m_counter

private

Definition at line 51 of file ConfigEnumStrain.hh.

Configuration CASM::ConfigEnumStrain::m_current

private

Definition at line 48 of file ConfigEnumStrain.hh.

Index CASM::ConfigEnumStrain::m_equiv_ind

private

Definition at line 53 of file ConfigEnumStrain.hh.

PermuteIterator CASM::ConfigEnumStrain::m_perm_begin

private

Definition at line 57 of file ConfigEnumStrain.hh.

PermuteIterator CASM::ConfigEnumStrain::m_perm_end

private

Definition at line 57 of file ConfigEnumStrain.hh.

Eigen::MatrixXd CASM::ConfigEnumStrain::m_shape_factor

private

Definition at line 58 of file ConfigEnumStrain.hh.

StrainConverter CASM::ConfigEnumStrain::m_strain_calc

private

Definition at line 54 of file ConfigEnumStrain.hh.

std::vector<Eigen::MatrixXd> CASM::ConfigEnumStrain::m_trans_mats

private

Definition at line 56 of file ConfigEnumStrain.hh.

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

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