#include <ConfigIO.hh>

Inheritance diagram for CASM::ConfigIO::AtomFrac:

Detailed Description

Returns fraction of all species that are a particular species, excluding vacancies.

Fraction of species that are a particular species, excluding vacancies. Without argument, all values are printed. Ex: atom_frac(Au), atom_frac(Pt), etc.

Definition at line 167 of file ConfigIO.hh.

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

typedef ContainerTraits< Container >::value_type	ValueType

typedef DataObject	DataObject

typedef long	difference_type

typedef DataFormatterDictionary< DataObject, BaseDatumFormatter< DataObject > >	DictType

Public Member Functions
	AtomFrac ()

Eigen::VectorXd	evaluate (const Configuration &config) const override
	Returns the atom fraction. More...

std::unique_ptr< AtomFrac >	clone () const
	Clone using copy constructor. More...

bool	parse_args (const std::string &args) override
	Expects arguments of the form 'name' or 'name(Au)', 'name(Pt)', etc. More...

bool	init (const Configuration &_tmplt) const override
	Adds index rules corresponding to the parsed args. More...

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

std::vector< std::string >	col_header (const Configuration &_tmplt) const override
	col_header returns: {'name(Au)', 'name(Pt)', ...} 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 DatumFormatterClass	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

Static Public Attributes
static const std::string	Name = "atom_frac"

static const std::string	Desc

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

Private Member Functions
AtomFrac *	_clone () const override
	Clone using copy constructor. More...

Private Attributes
std::vector< std::string >	m_mol_names

std::string	m_name

std::string	m_description

IndexContainer	m_index_rules

const DictType *	m_home

Member Typedef Documentation

◆ Access

template<typename Container , typename DataObject >

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

inherited

Access methods for Container.

Definition at line 1006 of file DataFormatterTools.hh.

◆ DataObject

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

inherited

Definition at line 334 of file DataFormatter.hh.

◆ DictType

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

inherited

Definition at line 337 of file DataFormatter.hh.

◆ difference_type

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

inherited

Definition at line 335 of file DataFormatter.hh.

◆ IndexContainer

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

protectedinherited

Definition at line 459 of file DataFormatter.hh.

◆ ValueType

template<typename Container , typename DataObject >

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

inherited

Definition at line 1007 of file DataFormatterTools.hh.

Constructor & Destructor Documentation

◆ AtomFrac()

CASM::ConfigIO::AtomFrac::AtomFrac ( )

inline

Definition at line 173 of file ConfigIO.hh.

Member Function Documentation

◆ _add_rule()

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

inlineprotectedinherited

Definition at line 472 of file DataFormatter.hh.

◆ _clone()

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

inlineoverrideprivatevirtual

Clone using copy constructor.

Implements CASM::Base1DDatumFormatter< Container, DataObject >.

Definition at line 187 of file ConfigIO.hh.

◆ _index_rules()

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

inlineprotectedinherited

Definition at line 476 of file DataFormatter.hh.

◆ _parse_index_expression()

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}}

Definition at line 470 of file DataFormatter_impl.hh.

◆ clone()

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

inline

Clone using copy constructor.

Definition at line 181 of file ConfigIO.hh.

◆ col_header() [1/2]

std::vector< std::string > CASM::ConfigIO_impl::MolDependent::col_header ( const Configuration & _tmplt ) const

overrideinherited

col_header returns: {'name(Au)', 'name(Pt)', ...}

Definition at line 81 of file ConfigIO.cc.

◆ col_header() [2/2]

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 1041 of file DataFormatterTools.hh.

◆ description()

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 352 of file DataFormatter.hh.

◆ evaluate() [1/2]

Eigen::VectorXd CASM::ConfigIO::AtomFrac::evaluate ( const Configuration & config ) const

override

Returns the atom fraction.

Returns the site fraction.

Definition at line 170 of file ConfigIO.cc.

◆ evaluate() [2/2]

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

pure virtualinherited

Implemented in CASM::Generic2DDatumFormatter< Container, DataObject >, and CASM::Generic1DDatumFormatter< Container, DataObject >.

◆ home()

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

inlineinherited

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

Definition at line 360 of file DataFormatter.hh.

◆ init() [1/2]

bool CASM::ConfigIO_impl::MolDependent::init ( const Configuration & _tmplt ) const

overrideinherited

Adds index rules corresponding to the parsed args.

Definition at line 54 of file ConfigIO.cc.

◆ init() [2/2]

template<typename Container , typename DataObject >

virtual bool 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 1025 of file DataFormatterTools.hh.

◆ inject()

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 1063 of file DataFormatterTools.hh.

◆ long_header()

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 399 of file DataFormatter.hh.

◆ name()

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 347 of file DataFormatter.hh.

◆ num_passes()

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::Base2DDatumFormatter< Container, DataObject >, and CASM::DatumFormatterAlias< DataObject >.

Definition at line 424 of file DataFormatter.hh.

◆ operator()()

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 803 of file DataFormatterTools.hh.

◆ parse_args()

bool CASM::ConfigIO_impl::MolDependent::parse_args ( const std::string & args )

overridevirtualinherited

Expects arguments of the form 'name' or 'name(Au)', 'name(Pt)', etc.

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

Definition at line 48 of file ConfigIO.cc.

◆ print()

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 1087 of file DataFormatterTools.hh.

◆ set_home()

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

inlineinherited

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

Definition at line 364 of file DataFormatter.hh.

◆ short_header()

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 417 of file DataFormatter.hh.

◆ to_json()

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 847 of file DataFormatterTools.hh.

◆ type()

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

inlinevirtualinherited

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

Definition at line 354 of file DataFormatter.hh.

◆ validate()

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::Generic2DDatumFormatter< Container, DataObject >, CASM::Generic1DDatumFormatter< Container, DataObject >, CASM::GenericDatumFormatter< ValueType, DataObject >, CASM::DatumFormatterAlias< DataObject >, and CASM::DataFormatterOperator< ValueType, ArgType, DataObject >.

Definition at line 381 of file DataFormatter.hh.

Member Data Documentation

◆ Desc

const std::string CASM::ConfigIO::AtomFrac::Desc

static

Initial value:

=
    "Fraction of atoms that are a particular species, excluding vacancies.  "
    "Without argument, all values are printed. Ex: atom_frac(Au), "
    "atom_frac(Pt), etc."

Definition at line 171 of file ConfigIO.hh.

◆ m_description

std::string CASM::BaseDatumFormatter< DataObject >::m_description

privateinherited

Definition at line 486 of file DataFormatter.hh.

◆ m_home

const DictType* CASM::BaseDatumFormatter< DataObject >::m_home

mutableprivateinherited

Definition at line 488 of file DataFormatter.hh.

◆ m_index_rules

IndexContainer CASM::BaseDatumFormatter< DataObject >::m_index_rules

mutableprivateinherited

Definition at line 487 of file DataFormatter.hh.

◆ m_mol_names

std::vector<std::string> CASM::ConfigIO_impl::MolDependent::m_mol_names

mutableprivateinherited

Definition at line 54 of file ConfigIO.hh.

◆ m_name

std::string CASM::BaseDatumFormatter< DataObject >::m_name

privateinherited

{ return notstd::make_unique<DerivedDatumFormatter>(*this);}

Definition at line 485 of file DataFormatter.hh.

◆ Name

const std::string CASM::ConfigIO::AtomFrac::Name = "atom_frac"

static

Definition at line 169 of file ConfigIO.hh.

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

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

Detailed Description

Public Types

Public Member Functions

Static Public Attributes

Protected Types

Protected Member Functions

Private Member Functions

Private Attributes

Member Typedef Documentation

◆ Access

◆ DataObject

◆ DictType

◆ difference_type

◆ IndexContainer

◆ ValueType

Constructor & Destructor Documentation

◆ AtomFrac()

Member Function Documentation

◆ _add_rule()

◆ _clone()

◆ _index_rules()

◆ _parse_index_expression()

◆ clone()

◆ col_header() [1/2]

◆ col_header() [2/2]

◆ description()

◆ evaluate() [1/2]

◆ evaluate() [2/2]

◆ home()

◆ init() [1/2]

◆ init() [2/2]

◆ inject()

◆ long_header()

◆ name()

◆ num_passes()

◆ operator()()

◆ parse_args()

◆ print()

◆ set_home()

◆ short_header()

◆ to_json()

◆ type()

◆ validate()

Member Data Documentation

◆ Desc

◆ m_description

◆ m_home

◆ m_index_rules

◆ m_mol_names

◆ m_name

◆ Name