#include <ConfigIOStrain.hh>

Inheritance diagram for CASM::ConfigIO::DoFStrain:

Detailed Description

The strain of the configuration due to relaxation, measured relative to ideal lattice vectors.

Ordered as [E(0,0), E(1,1), E(2,2), E(1,2), E(0,2), E(0,1)].

Accepts strain convention as argument:

'GL' [Green-Lagrange, Default]
'EA' [Euler-Almansi]
'B' [Biot]
'H' [Hencky]).

Accepts index as argument on interval [0,5]

Ex: 'relxation_strain', 'relaxation_strain(EA,2)'

Definition at line 94 of file ConfigIOStrain.hh.

Public Types
typedef ContainerTraits < Container >::Access	Access
	Access methods for Container. More...

typedef ContainerTraits < Container >::value_type	ValueType

enum	FormatterType

typedef DataObject	DataObject

typedef long	difference_type

typedef DataFormatterDictionary < DataObject, BaseDatumFormatter< DataObject > >	DictType

Public Member Functions
	DoFStrain ()

std::unique_ptr< DoFStrain >	clone () const

Eigen::VectorXd	evaluate (const Configuration &_config) const override

void	init (const Configuration &_tmplt) const override

std::string	short_header (const Configuration &_config) const override

std::vector< std::string >	col_header (const Configuration &_config) const override

bool	parse_args (const std::string &args) override
	Default implementation calls _parse_index_expression. More...

virtual void	init (const DataObject &_template_obj) const override
	Default initialization adds rules for each element. More...

virtual std::vector< std::string >	col_header (const DataObject &_template_obj) const override
	Default col_header uses 'name(index)' for each column. More...

virtual void	inject (const DataObject &_data_obj, DataStream &_stream, Index pass_index=0) const override
	Default implementation injects each element. More...

virtual void	print (const DataObject &_data_obj, std::ostream &_stream, Index pass_index=0) const override
	Default implementation prints each element in a column. More...

virtual Container	operator() (const DataObject &obj) const
	Return requested data from obj, throwing std::runtime_error if not valid. More...

virtual Container	evaluate (const DataObject &obj) const =0

virtual jsonParser &	to_json (const DataObject &_data_obj, jsonParser &json) const override
	Default implementation calls jsonParser& to_json(const ValueType&, jsonParser&) More...

const std::string &	name () const
	Returns a name for the formatter, which becomes the tag used for parsing. More...

const std::string &	description () const
	Returns a short description of the formatter and its allowed arguments (if any). This description is used to automatically generate help screens. More...

virtual FormatterType	type () const

const DictType &	home () const
	const Access the dictionary containing this formatter, set during DictType::lookup More...

void	set_home (const DictType &home) const
	Set the dictionary containing this formatter, set during DictType::lookup. More...

virtual bool	validate (const DataObject &_data_obj) const
	Returns true if _data_obj has valid values for requested data. More...

virtual std::string	long_header (const DataObject &_template_obj) const
	Returns a long expression for each scalar produced by the formatter parsing the long_header should reproduce the exact query described by the formatter Ex: "clex(formation_energy)" or "comp(a) comp(c)". More...

virtual std::string	short_header (const DataObject &_template_obj) const
	Returns a short expression for the formatter parsing the short_header should allow the formatter to be recreated (but the short header does not specify a subset of the elements) Ex: "clex(formation_energy)" or "comp". More...

virtual Index	num_passes (const DataObject &_data_obj) const

Protected Types
typedef multivector< Index > ::X< 2 >	IndexContainer

Protected Member Functions
void	_parse_index_expression (const std::string &_expr)

void	_add_rule (const std::vector< Index > &new_rule) const

const IndexContainer &	_index_rules () const

Protected Attributes
StrainConverter	m_straincalc

std::string	m_metric_name

Private Member Functions
DoFStrain *	_clone () const override
	Clone. More...

Member Typedef Documentation

template<typename Container , typename DataObject >

typedef ContainerTraits<Container>::Access CASM::Base1DDatumFormatter< Container, DataObject >::Access

inherited

Access methods for Container.

Definition at line 900 of file DataFormatterTools.hh.

typedef DataObject CASM::BaseDatumFormatter< DataObject >::DataObject

inherited

Definition at line 313 of file DataFormatter.hh.

typedef DataFormatterDictionary<DataObject, BaseDatumFormatter<DataObject> > CASM::BaseDatumFormatter< DataObject >::DictType

inherited

Definition at line 316 of file DataFormatter.hh.

typedef long CASM::BaseDatumFormatter< DataObject >::difference_type

inherited

Definition at line 315 of file DataFormatter.hh.

typedef multivector<Index>::X<2> CASM::BaseDatumFormatter< DataObject >::IndexContainer

protectedinherited

Definition at line 435 of file DataFormatter.hh.

template<typename Container , typename DataObject >

typedef ContainerTraits<Container>::value_type CASM::Base1DDatumFormatter< Container, DataObject >::ValueType

inherited

Definition at line 901 of file DataFormatterTools.hh.

Member Enumeration Documentation

enum CASM::BaseDatumFormatter::FormatterType

inherited

Definition at line 314 of file DataFormatter.hh.

Constructor & Destructor Documentation

CASM::ConfigIO::DoFStrain::DoFStrain ( )

inline

Definition at line 96 of file ConfigIOStrain.hh.

Member Function Documentation

void CASM::BaseDatumFormatter< DataObject >::_add_rule ( const std::vector< Index > & new_rule ) const

inlineprotectedinherited

Definition at line 447 of file DataFormatter.hh.

DoFStrain* CASM::ConfigIO::DoFStrain::_clone ( ) const

inlineoverrideprivatevirtual

Clone.

Implements CASM::Base1DDatumFormatter< Container, DataObject >.

Definition at line 132 of file ConfigIOStrain.hh.

const IndexContainer& CASM::BaseDatumFormatter< DataObject >::_index_rules ( ) const

inlineprotectedinherited

Definition at line 451 of file DataFormatter.hh.

void CASM::BaseDatumFormatter< DataObject >::_parse_index_expression ( const std::string & _expr )

protectedinherited

Derived DatumFormatters have some optional functionality for parsing index expressions in order to make it easy to handle ranges such as:

formatter_name(3,4:8)

in which case, DerivedDatumFormatter::parse_args() is called with the string "3,4:8" by dispatching that string to BaseDatumFormatter::_parse_index_expression(), m_index_rules will be populated with {{3,4},{3,5},{3,6},{3,7},{3,8}}

std::unique_ptr<DoFStrain> CASM::ConfigIO::DoFStrain::clone ( ) const

inline

Definition at line 103 of file ConfigIOStrain.hh.

std::vector< std::string > CASM::ConfigIO::DoFStrain::col_header ( const Configuration & _config ) const

override

Definition at line 141 of file ConfigIOStrain.cc.

template<typename Container , typename DataObject >

virtual std::vector<std::string> CASM::Base1DDatumFormatter< Container, DataObject >::col_header ( const DataObject & _template_obj ) const

inlineoverridevirtualinherited

Default col_header uses 'name(index)' for each column.

Ex: "corr(0)" "corr(1)" "corr(5)" "corr(6)"

Reimplemented from CASM::BaseDatumFormatter< DataObject >.

Definition at line 934 of file DataFormatterTools.hh.

const std::string& CASM::BaseDatumFormatter< DataObject >::description ( ) const

inlineinherited

Returns a short description of the formatter and its allowed arguments (if any). This description is used to automatically generate help screens.

Definition at line 332 of file DataFormatter.hh.

Eigen::VectorXd CASM::ConfigIO::DoFStrain::evaluate ( const Configuration & _config ) const

override

Definition at line 161 of file ConfigIOStrain.cc.

virtual Container CASM::BaseValueFormatter< Container , DataObject >::evaluate ( const DataObject & obj ) const

pure virtualinherited

Implemented in CASM::Generic1DDatumFormatter< Container, DataObject >.

const DictType& CASM::BaseDatumFormatter< DataObject >::home ( ) const

inlineinherited

const Access the dictionary containing this formatter, set during DictType::lookup

Definition at line 341 of file DataFormatter.hh.

void CASM::ConfigIO::DoFStrain::init ( const Configuration & _tmplt ) const

override

Definition at line 127 of file ConfigIOStrain.cc.

template<typename Container , typename DataObject >

virtual void CASM::Base1DDatumFormatter< Container, DataObject >::init ( const DataObject & _template_obj ) const

inlineoverridevirtualinherited

Default initialization adds rules for each element.

Reimplemented from CASM::BaseDatumFormatter< DataObject >.

Definition at line 921 of file DataFormatterTools.hh.

template<typename Container , typename DataObject >

virtual void CASM::Base1DDatumFormatter< Container, DataObject >::inject	(	const DataObject &	_data_obj,
		DataStream &	_stream,
		Index	pass_index = `0`
	)		const

inlineoverridevirtualinherited

Default implementation injects each element.

sets DataStream::failbit if validation fails

Reimplemented from CASM::BaseValueFormatter< Container, DataObject >.

Definition at line 955 of file DataFormatterTools.hh.

virtual std::string CASM::BaseDatumFormatter< DataObject >::long_header ( const DataObject & _template_obj ) const

inlinevirtualinherited

Returns a long expression for each scalar produced by the formatter parsing the long_header should reproduce the exact query described by the formatter Ex: "clex(formation_energy)" or "comp(a) comp(c)".

Default uses col_header

Definition at line 382 of file DataFormatter.hh.

const std::string& CASM::BaseDatumFormatter< DataObject >::name ( ) const

inlineinherited

Returns a name for the formatter, which becomes the tag used for parsing.

Definition at line 326 of file DataFormatter.hh.

virtual Index CASM::BaseDatumFormatter< DataObject >::num_passes ( const DataObject & _data_obj ) const

inlinevirtualinherited

If data must be printed on multiple rows, returns number of rows needed to output all data from _data_obj DataFormatter class will subsequently pass over _data_obj multiple times to complete printing (if necessary)

Reimplemented in CASM::DatumFormatterAlias< DataObject >.

Definition at line 406 of file DataFormatter.hh.

virtual Container CASM::BaseValueFormatter< Container , DataObject >::operator() ( const DataObject & obj ) const

inlinevirtualinherited

Return requested data from obj, throwing std::runtime_error if not valid.

Definition at line 729 of file DataFormatterTools.hh.

bool CASM::ConfigIO::DoFStrain::parse_args ( const std::string & args )

overridevirtual

Default implementation calls _parse_index_expression.

Reimplemented from CASM::Base1DDatumFormatter< Container, DataObject >.

Definition at line 91 of file ConfigIOStrain.cc.

template<typename Container , typename DataObject >

virtual void CASM::Base1DDatumFormatter< Container, DataObject >::print	(	const DataObject &	_data_obj,
		std::ostream &	_stream,
		Index	pass_index = `0`
	)		const

inlineoverridevirtualinherited

Default implementation prints each element in a column.

Prints "unknown" if validation fails

Reimplemented from CASM::BaseValueFormatter< Container, DataObject >.

Definition at line 980 of file DataFormatterTools.hh.

void CASM::BaseDatumFormatter< DataObject >::set_home ( const DictType & home ) const

inlineinherited

Set the dictionary containing this formatter, set during DictType::lookup.

Definition at line 346 of file DataFormatter.hh.

std::string CASM::ConfigIO::DoFStrain::short_header ( const Configuration & _config ) const

override

Definition at line 156 of file ConfigIOStrain.cc.

virtual std::string CASM::BaseDatumFormatter< DataObject >::short_header ( const DataObject & _template_obj ) const

inlinevirtualinherited

Returns a short expression for the formatter parsing the short_header should allow the formatter to be recreated (but the short header does not specify a subset of the elements) Ex: "clex(formation_energy)" or "comp".

Reimplemented in CASM::DatumFormatterAlias< DataObject >, and CASM::DataFormatterOperator< ValueType, ArgType, DataObject >.

Definition at line 400 of file DataFormatter.hh.

virtual jsonParser& CASM::BaseValueFormatter< Container , DataObject >::to_json	(	const DataObject &	_data_obj,
		jsonParser &	json
	)		const

inlineoverridevirtualinherited

Default implementation calls jsonParser& to_json(const ValueType&, jsonParser&)

Does nothing if validation fails

Implements CASM::BaseDatumFormatter< DataObject >.

Definition at line 769 of file DataFormatterTools.hh.

virtual FormatterType CASM::BaseDatumFormatter< DataObject >::type ( ) const

inlinevirtualinherited

Reimplemented in CASM::DatumFormatterAlias< DataObject >, and CASM::DataFormatterOperator< ValueType, ArgType, DataObject >.

Definition at line 336 of file DataFormatter.hh.

virtual bool CASM::BaseDatumFormatter< DataObject >::validate ( const DataObject & _data_obj ) const

inlinevirtualinherited

Returns true if _data_obj has valid values for requested data.

Default implementation always returns true

Reimplemented in CASM::Generic1DDatumFormatter< Container, DataObject >, CASM::GenericDatumFormatter< ValueType, DataObject >, CASM::DatumFormatterAlias< DataObject >, and CASM::DataFormatterOperator< ValueType, ArgType, DataObject >.

Definition at line 363 of file DataFormatter.hh.

Member Data Documentation

std::string CASM::ConfigIO::DoFStrain::m_metric_name

mutableprotected

Definition at line 128 of file ConfigIOStrain.hh.

StrainConverter CASM::ConfigIO::DoFStrain::m_straincalc

mutableprotected

Definition at line 127 of file ConfigIOStrain.hh.

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

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

Detailed Description

Public Types

Public Member Functions

Protected Types

Protected Member Functions

Protected Attributes

Private Member Functions

Member Typedef Documentation

Member Enumeration Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation