CASM
AClustersApproachtoStatisticalMechanics
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CASM::ConfigIO::TestCompN Class Referenceabstract

#include <TestCompN.hh>

+ Inheritance diagram for CASM::ConfigIO::TestCompN:

Detailed Description

Calculate number of each species per unit cell.

Definition at line 17 of file TestCompN.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

 TestCompN ()
 
Eigen::VectorXd evaluate (const Configuration &config) const override
 Returns the parametric composition. More...
 
std::unique_ptr< TestCompNclone () 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...
 
void init (const Configuration &_tmplt) const override
 Adds index rules corresponding to the parsed args. More...
 
virtual void 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 jsonParserto_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 DictTypehome () 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 = "test_comp_n"
 
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

TestCompN_clone () const override
 Clone using copy constructor. 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.

Definition at line 313 of file DataFormatter.hh.

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

Definition at line 314 of file DataFormatter.hh.

Constructor & Destructor Documentation

CASM::ConfigIO::TestCompN::TestCompN ( )
inline

Definition at line 26 of file TestCompN.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.

TestCompN* CASM::ConfigIO::TestCompN::_clone ( ) const
inlineoverrideprivatevirtual

Clone using copy constructor.

Implements CASM::Base1DDatumFormatter< Container, DataObject >.

Definition at line 43 of file TestCompN.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<TestCompN> CASM::ConfigIO::TestCompN::clone ( ) const
inline

Clone using copy constructor.

Definition at line 36 of file TestCompN.hh.

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 51 of file ConfigIO.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::TestCompN::evaluate ( const Configuration config) const
override

Returns the parametric composition.

Returns the number of each species per unit cell.

Definition at line 22 of file TestCompN.cc.

virtual Container CASM::BaseValueFormatter< Container , DataObject >::evaluate ( const DataObject obj) const
pure virtualinherited
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_impl::MolDependent::init ( const Configuration _tmplt) const
overrideinherited

Adds index rules corresponding to the parsed args.

Definition at line 25 of file ConfigIO.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.

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_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 18 of file ConfigIO.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.

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 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

const std::string CASM::ConfigIO::TestCompN::Desc
static
Initial value:
=
"Number of each species per unit cell, including vacancies. "
"No argument prints all available values. Ex: test_comp_n, test_comp_n(Au), test_comp_n(Pt), etc."

Definition at line 23 of file TestCompN.hh.

const std::string CASM::ConfigIO::TestCompN::Name = "test_comp_n"
static

Definition at line 21 of file TestCompN.hh.


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