#include <DirectoryStructure.hh>

Detailed Description

Specification of CASM project directory structure.

Definition at line 55 of file DirectoryStructure.hh.

Public Member Functions
	DirectoryStructure ()

	DirectoryStructure (const fs::path _root)

std::vector< std::string >	all_bset () const
	Check filesystem directory structure and return list of all basis set names. More...

std::vector< std::string >	all_calctype () const
	Check filesystem directory structure and return list of all calctype names. More...

std::vector< std::string >	all_ref (std::string calctype) const
	Check filesystem directory structure and return list of all ref names for a given calctype. More...

std::vector< std::string >	all_property () const
	Check filesystem directory structure and return list of all property names. More...

std::vector< std::string >	all_eci (std::string property, std::string calctype, std::string ref, std::string bset) const
	Check filesystem directory structure and return list of all eci names. More...

fs::path	root_dir () const
	Return casm project directory path. More...

fs::path	prim () const
	Return prim.json path. More...

fs::path	PRIM () const
	Return PRIM path. More...

fs::path	casm_dir () const
	Return hidden .casm dir path. More...

fs::path	project_settings () const
	Return project_settings.json path. More...

fs::path	scel_list (std::string scelname) const
	Return master scel_list.json path. More...

fs::path	config_list () const
	Return master config_list.json file path. More...

fs::path	enumerator_plugins () const
	Return enumerators plugin dir. More...

template<typename DataObject >
fs::path	query_plugins () const
	Return enumerators plugin dir. More...

fs::path	symmetry_dir () const
	Return symmetry directory path. More...

fs::path	lattice_point_group () const
	Return lattice_point_group.json path. More...

fs::path	factor_group () const
	Return factor_group.json path. More...

fs::path	crystal_point_group () const
	Return crystal_point_group.json path. More...

fs::path	bset_dir (std::string bset) const
	Return path to directory contain basis set info. More...

fs::path	bspecs (std::string bset) const
	Return basis function specs (bspecs.json) file path. More...

fs::path	clust (std::string bset) const

fs::path	basis (std::string bset) const

fs::path	clexulator_dir (std::string bset) const
	Returns path to directory containing global clexulator. More...

fs::path	clexulator_src (std::string project, std::string bset) const
	Returns path to global clexulator source file. More...

fs::path	clexulator_o (std::string project, std::string bset) const
	Returns path to global clexulator o file. More...

fs::path	clexulator_so (std::string project, std::string bset) const
	Returns path to global clexulator so file. More...

fs::path	eci_in (std::string bset) const
	Returns path to eci.in, in bset directory. More...

fs::path	corr_in (std::string bset) const
	Returns path to corr.in, in bset directory. More...

fs::path	training_data () const
	Return 'training_data' directorty path. More...

fs::path	SCEL () const
	Return SCEL path. More...

fs::path	supercell_dir (std::string scelname) const
	Return supercell directory path (scelname has format SCELV_A_B_C_D_E_F) More...

fs::path	configuration_dir (std::string configname) const
	Return configuration directory path (configname has format SCELV_A_B_C_D_E_F/I) More...

fs::path	POS (std::string configname) const
	Return path to POS file. More...

fs::path	calc_settings_dir (std::string calctype) const
	Return calculation settings directory path, for global settings. More...

fs::path	supercell_calc_settings_dir (std::string scelname, std::string calctype) const
	Return calculation settings directory path, for supercell specific settings. More...

fs::path	configuration_calc_settings_dir (std::string configname, std::string calctype) const
	Return calculation settings directory path, for configuration specific settings. More...

fs::path	configuration_calc_dir (std::string configname, std::string calctype) const
	Return calculated properties file path. More...

fs::path	calculated_properties (std::string configname, std::string calctype) const
	Return calculated properties file path. More...

fs::path	calc_status (std::string configname, std::string calctype) const
	Return calculation status file path. More...

fs::path	ref_dir (std::string calctype, std::string ref) const
	Return calculation reference settings directory path, for global settings. More...

fs::path	composition_axes () const
	Return composition axes file path. More...

fs::path	chemical_reference (std::string calctype, std::string ref) const
	Return chemical reference file path. More...

fs::path	clex_dir (std::string property) const
	Returns path to eci directory. More...

fs::path	eci_dir (std::string property, std::string calctype, std::string ref, std::string bset, std::string eci) const
	Returns path to eci directory. More...

fs::path	eci (std::string property, std::string calctype, std::string ref, std::string bset, std::string eci) const
	Returns path to eci.json. More...

fs::path	CSPECS (std::string bset) const
	Return cluster specs (CSPECS) file path. More...

fs::path	FCLUST (std::string bset) const

fs::path	eci_out (std::string property, std::string calctype, std::string ref, std::string bset, std::string eci) const
	Returns path to eci.out. More...

fs::path	query_alias () const
	Query aliases file. More...

Private Member Functions
std::string	_bset (std::string bset) const

std::string	_calctype (std::string calctype) const

std::string	_ref (std::string ref) const

std::string	_property (std::string property) const

std::string	_eci (std::string eci) const

std::string	_ref_state (int index) const

void	_init (const fs::path &_root)

std::vector< std::string >	_all_settings (std::string pattern, fs::path location) const
	Find all directories at 'location' that match 'pattern.something' and return a std::vector of the 'something'. More...

Private Attributes
fs::path	m_root

std::string	m_casm_dir

std::string	m_bset_dir

std::string	m_calc_dir

std::string	m_set_dir

std::string	m_sym_dir

std::string	m_clex_dir

Constructor & Destructor Documentation

CASM::DirectoryStructure::DirectoryStructure ( )

inline

Definition at line 59 of file DirectoryStructure.hh.

CASM::DirectoryStructure::DirectoryStructure ( const fs::path _root )

inline

Definition at line 61 of file DirectoryStructure.hh.

Member Function Documentation

std::vector<std::string> CASM::DirectoryStructure::_all_settings	(	std::string	pattern,
		fs::path	location
	)		const

inlineprivate

Find all directories at 'location' that match 'pattern.something' and return a std::vector of the 'something'.

Definition at line 380 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::_bset ( std::string bset ) const

inlineprivate

Definition at line 343 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::_calctype ( std::string calctype ) const

inlineprivate

Definition at line 347 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::_eci ( std::string eci ) const

inlineprivate

Definition at line 359 of file DirectoryStructure.hh.

void CASM::DirectoryStructure::_init ( const fs::path & _root )

inlineprivate

Definition at line 368 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::_property ( std::string property ) const

inlineprivate

Definition at line 355 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::_ref ( std::string ref ) const

inlineprivate

Definition at line 351 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::_ref_state ( int index ) const

inlineprivate

Definition at line 363 of file DirectoryStructure.hh.

std::vector<std::string> CASM::DirectoryStructure::all_bset ( ) const

inline

Check filesystem directory structure and return list of all basis set names.

Definition at line 69 of file DirectoryStructure.hh.

std::vector<std::string> CASM::DirectoryStructure::all_calctype ( ) const

inline

Check filesystem directory structure and return list of all calctype names.

Definition at line 74 of file DirectoryStructure.hh.

std::vector<std::string> CASM::DirectoryStructure::all_eci	(	std::string	property,
		std::string	calctype,
		std::string	ref,
		std::string	bset
	)		const

inline

Check filesystem directory structure and return list of all eci names.

Definition at line 89 of file DirectoryStructure.hh.

std::vector<std::string> CASM::DirectoryStructure::all_property ( ) const

inline

Check filesystem directory structure and return list of all property names.

Definition at line 84 of file DirectoryStructure.hh.

std::vector<std::string> CASM::DirectoryStructure::all_ref ( std::string calctype ) const

inline

Check filesystem directory structure and return list of all ref names for a given calctype.

Definition at line 79 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::basis ( std::string bset ) const

inline

Definition at line 189 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::bset_dir ( std::string bset ) const

inline

Return path to directory contain basis set info.

Definition at line 174 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::bspecs ( std::string bset ) const

inline

Return basis function specs (bspecs.json) file path.

Definition at line 179 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::calc_settings_dir ( std::string calctype ) const

inline

Return calculation settings directory path, for global settings.

Definition at line 252 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::calc_status	(	std::string	configname,
		std::string	calctype
	)		const

inline

Return calculation status file path.

Definition at line 277 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::calculated_properties	(	std::string	configname,
		std::string	calctype
	)		const

inline

Return calculated properties file path.

Definition at line 272 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::casm_dir ( ) const

inline

Return hidden .casm dir path.

Definition at line 118 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::chemical_reference	(	std::string	calctype,
		std::string	ref
	)		const

inline

Return chemical reference file path.

Definition at line 293 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::clex_dir ( std::string property ) const

inline

Returns path to eci directory.

Definition at line 301 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::clexulator_dir ( std::string bset ) const

inline

Returns path to directory containing global clexulator.

Definition at line 194 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::clexulator_o	(	std::string	project,
		std::string	bset
	)		const

inline

Returns path to global clexulator o file.

Definition at line 204 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::clexulator_so	(	std::string	project,
		std::string	bset
	)		const

inline

Returns path to global clexulator so file.

Definition at line 209 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::clexulator_src	(	std::string	project,
		std::string	bset
	)		const

inline

Returns path to global clexulator source file.

Definition at line 199 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::clust ( std::string bset ) const

inline

Definition at line 184 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::composition_axes ( ) const

inline

Return composition axes file path.

Definition at line 288 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::config_list ( ) const

inline

Return master config_list.json file path.

Definition at line 133 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::configuration_calc_dir	(	std::string	configname,
		std::string	calctype
	)		const

inline

Return calculated properties file path.

Definition at line 267 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::configuration_calc_settings_dir	(	std::string	configname,
		std::string	calctype
	)		const

inline

Return calculation settings directory path, for configuration specific settings.

Definition at line 262 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::configuration_dir ( std::string configname ) const

inline

Return configuration directory path (configname has format SCELV_A_B_C_D_E_F/I)

Definition at line 242 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::corr_in ( std::string bset ) const

inline

Returns path to corr.in, in bset directory.

Definition at line 219 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::crystal_point_group ( ) const

inline

Return crystal_point_group.json path.

Definition at line 166 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::CSPECS ( std::string bset ) const

inline

Return cluster specs (CSPECS) file path.

Definition at line 319 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::eci	(	std::string	property,
		std::string	calctype,
		std::string	ref,
		std::string	bset,
		std::string	eci
	)		const

inline

Returns path to eci.json.

Definition at line 311 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::eci_dir	(	std::string	property,
		std::string	calctype,
		std::string	ref,
		std::string	bset,
		std::string	eci
	)		const

inline

Returns path to eci directory.

Definition at line 306 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::eci_in ( std::string bset ) const

inline

Returns path to eci.in, in bset directory.

Definition at line 214 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::eci_out	(	std::string	property,
		std::string	calctype,
		std::string	ref,
		std::string	bset,
		std::string	eci
	)		const

inline

Returns path to eci.out.

Definition at line 331 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::enumerator_plugins ( ) const

inline

Return enumerators plugin dir.

Definition at line 138 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::factor_group ( ) const

inline

Return factor_group.json path.

Definition at line 161 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::FCLUST ( std::string bset ) const

inline

Definition at line 324 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::lattice_point_group ( ) const

inline

Return lattice_point_group.json path.

Definition at line 156 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::POS ( std::string configname ) const

inline

Return path to POS file.

Definition at line 247 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::prim ( ) const

inline

Return prim.json path.

Definition at line 105 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::PRIM ( ) const

inline

Return PRIM path.

Definition at line 110 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::project_settings ( ) const

inline

Return project_settings.json path.

Definition at line 123 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::query_alias ( ) const

inline

Query aliases file.

Definition at line 336 of file DirectoryStructure.hh.

template<typename DataObject >

fs::path CASM::DirectoryStructure::query_plugins ( ) const

inline

Return enumerators plugin dir.

Definition at line 144 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::ref_dir	(	std::string	calctype,
		std::string	ref
	)		const

inline

Return calculation reference settings directory path, for global settings.

Definition at line 283 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::root_dir ( ) const

inline

Return casm project directory path.

Definition at line 100 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::SCEL ( ) const

inline

Return SCEL path.

Definition at line 232 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::scel_list ( std::string scelname ) const

inline

Return master scel_list.json path.

Definition at line 128 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::supercell_calc_settings_dir	(	std::string	scelname,
		std::string	calctype
	)		const

inline

Return calculation settings directory path, for supercell specific settings.

Definition at line 257 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::supercell_dir ( std::string scelname ) const

inline

Return supercell directory path (scelname has format SCELV_A_B_C_D_E_F)

Definition at line 237 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::symmetry_dir ( ) const

inline

Return symmetry directory path.

Definition at line 151 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::training_data ( ) const

inline

Return 'training_data' directorty path.

Definition at line 227 of file DirectoryStructure.hh.

Member Data Documentation

std::string CASM::DirectoryStructure::m_bset_dir

private

Definition at line 408 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::m_calc_dir

private

Definition at line 409 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::m_casm_dir

private

Definition at line 407 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::m_clex_dir

private

Definition at line 412 of file DirectoryStructure.hh.

fs::path CASM::DirectoryStructure::m_root

private

Definition at line 406 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::m_set_dir

private

Definition at line 410 of file DirectoryStructure.hh.

std::string CASM::DirectoryStructure::m_sym_dir

private

Definition at line 411 of file DirectoryStructure.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/app/DirectoryStructure.hh

Detailed Description

Public Member Functions

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation