#include <ProjectSettings.hh>

Inheritance diagram for CASM::ProjectSettings:

Detailed Description

Read/modify settings of an already existing CASM project.

Use ProjectBuilder to create a new CASM project
Only allows modifying settings if the appropriate directories exist

Definition at line 92 of file ProjectSettings.hh.

Public Member Functions
	ProjectSettings ()
	Default constructor. More...

	ProjectSettings (fs::path root, std::string name, const Logging &logging=Logging())
	Construct CASM project settings for a new project. More...

	ProjectSettings (fs::path root, const Logging &logging=Logging())
	Construct CASM project settings from existing project. More...

std::string	name () const
	Get project name. More...

const DirectoryStructure &	dir () const

const std::vector< std::string > &	properties () const
	Get current properties. More...

const std::map< std::string, ClexDescription > &	cluster_expansions () const

bool	has_clex (std::string name) const

const ClexDescription &	clex (std::string name) const

const ClexDescription &	default_clex () const

bool	new_clex (const ClexDescription &desc)

bool	erase_clex (const ClexDescription &desc)

bool	set_default_clex (const std::string &clex_name)

bool	set_default_clex (const ClexDescription &desc)
	Will overwrite existing ClexDescription with same name. More...

Eigen::Matrix3l	nlist_weight_matrix () const
	Get neighbor list weight matrix. More...

const std::set< int > &	nlist_sublat_indices () const
	Get set of sublattice indices to include in neighbor lists. More...

std::pair< std::string, std::string >	cxx () const
	Get c++ compiler. More...

std::pair< std::string, std::string >	cxxflags () const
	Get c++ compiler options. More...

std::pair< std::string, std::string >	soflags () const
	Get shared object options. More...

std::pair< fs::path, std::string >	casm_includedir () const
	Get casm includedir. More...

std::pair< fs::path, std::string >	casm_libdir () const
	Get casm libdir. More...

std::pair< fs::path, std::string >	boost_includedir () const
	Get boost includedir. More...

std::pair< fs::path, std::string >	boost_libdir () const
	Get boost libdir. More...

std::string	compile_options () const
	Get current compilation options string. More...

std::string	so_options () const
	Get current shared library options string. More...

std::string	view_command () const
	Get current command used by 'casm view'. More...

double	crystallography_tol () const
	Get current project crystallography tolerance. More...

double	lin_alg_tol () const
	Get current project linear algebra tolerance. More...

EnumeratorHandler &	enumerator_handler ()

const EnumeratorHandler &	enumerator_handler () const

template<typename DataObject >
QueryHandler< DataObject > &	query_handler ()

template<typename DataObject >
const QueryHandler< DataObject > &	query_handler () const

std::string	clexulator () const

bool	new_casm_dir () const
	Create new project data directory. More...

bool	new_symmetry_dir () const
	Create new symmetry directory. More...

bool	new_bset_dir (std::string bset) const
	Add a basis set directory. More...

bool	new_clex_dir (std::string clex) const
	Add a cluster expansion directory. More...

bool	new_calc_settings_dir (std::string calctype) const
	Add calculation settings directory path. More...

bool	new_supercell_calc_settings_dir (std::string scelname, std::string calctype) const
	Add calculation settings directory path, for supercell specific settings. More...

bool	new_configuration_calc_settings_dir (std::string configname, std::string calctype) const
	Add calculation settings directory path, for configuration specific settings. More...

bool	new_ref_dir (std::string calctype, std::string ref) const
	Add a ref directory. More...

bool	new_eci_dir (std::string clex, std::string calctype, std::string ref, std::string bset, std::string eci) const
	Add an eci directory. More...

std::vector< std::string > &	properties ()
	Access current properties. More...

bool	set_nlist_weight_matrix (Eigen::Matrix3l M)
	Set neighbor list weight matrix (will delete existing Clexulator source and compiled code) More...

template<typename SublatIterator >
bool	set_nlist_sublat_indices (SublatIterator begin, SublatIterator end)
	Set range of sublattice indices to include in neighbor lists (will delete existing Clexulator source and compiled code) More...

bool	set_cxx (std::string opt)
	Set c++ compiler (empty string to use default) More...

bool	set_cxxflags (std::string opt)
	Set c++ compiler options (empty string to use default) More...

bool	set_soflags (std::string opt)
	Set shared object options (empty string to use default) More...

bool	set_casm_prefix (fs::path dir)
	Set casm prefix (empty string to use default) More...

bool	set_casm_includedir (fs::path dir)
	Set casm includedir (empty string to use default) More...

bool	set_casm_libdir (fs::path dir)
	Set casm libdir (empty string to use default) More...

bool	set_boost_prefix (fs::path dir)
	Set boost prefix (empty string to use default) More...

bool	set_boost_includedir (fs::path dir)
	Set boost includedir (empty string to use default) More...

bool	set_boost_libdir (fs::path dir)
	Set boost libdir (empty string to use default) More...

bool	set_view_command (std::string opt)
	Set command used by 'casm view'. More...

bool	set_crystallography_tol (double _tol)
	Set crystallography tolerance. More...

bool	set_lin_alg_tol (double _tol)
	Set linear algebra tolerance. More...

void	commit () const
	Save settings to project settings file. More...

jsonParser &	to_json (jsonParser &json) const
	Output as JSON. More...

void	print_compiler_settings_summary (Log &log) const
	Print summary of compiler settings, as for 'casm settings -l'. More...

void	print_summary (Log &log) const
	Print summary of ProjectSettings, as for 'casm settings -l'. More...

bool	set_compile_options (std::string opt)
	(deprecated) Set compile options to 'opt' (empty string to use default) More...

bool	set_so_options (std::string opt)
	(deprecated) Set shared library options to 'opt' (empty string to use default) More...

Log &	log () const

Log &	debug_log () const

Log &	err_log () const

Static Public Member Functions
static Logging	null ()

Private Member Functions
void	_reset_clexulators ()
	Changing the neighbor list properties requires updating Clexulator source code. More...

void	_load_default_options ()
	initialize default compiler options More...

Private Attributes
DirectoryStructure	m_dir

std::string	m_name

notstd::cloneable_ptr < EnumeratorHandler >	m_enumerator_handler

std::map< std::string, notstd::cloneable_ptr < notstd::Cloneable > >	m_query_handler

std::map< std::string, ClexDescription >	m_clex

std::string	m_default_clex

Eigen::Matrix3l	m_nlist_weight_matrix

std::set< int >	m_nlist_sublat_indices

std::vector< std::string >	m_properties

std::pair< std::string, std::string >	m_cxx

std::pair< std::string, std::string >	m_cxxflags

std::pair< std::string, std::string >	m_soflags

std::pair< fs::path, std::string >	m_casm_includedir

std::pair< fs::path, std::string >	m_casm_libdir

std::pair< fs::path, std::string >	m_boost_includedir

std::pair< fs::path, std::string >	m_boost_libdir

std::string	m_depr_compile_options

std::string	m_depr_so_options

std::string	m_view_command

double	m_crystallography_tol

double	m_lin_alg_tol

Constructor & Destructor Documentation

CASM::ProjectSettings::ProjectSettings ( )

inline

Default constructor.

Definition at line 97 of file ProjectSettings.hh.

CASM::ProjectSettings::ProjectSettings	(	fs::path	root,
		std::string	name,
		const Logging &	logging = `Logging()`
	)

explicit

Construct CASM project settings for a new project.

Parameters

root	Path to new CASM project directory
name	Name of new CASM project. Use a short title suitable for prepending to file names.

Definition at line 88 of file ProjectSettings.cc.

CASM::ProjectSettings::ProjectSettings	(	fs::path	root,
		const Logging &	logging = `Logging()`
	)

explicit

Construct CASM project settings from existing project.

Parameters

root	Path to existing CASM project directory. Project settings will be read.

Definition at line 116 of file ProjectSettings.cc.

Member Function Documentation

void CASM::ProjectSettings::_load_default_options ( )

private

initialize default compiler options

Definition at line 611 of file ProjectSettings.cc.

void CASM::ProjectSettings::_reset_clexulators ( )

private

Changing the neighbor list properties requires updating Clexulator source code.

Changing the neighbor list properties requires updating Clexulator source code. This will remove existing source/compiled files.

Definition at line 602 of file ProjectSettings.cc.

std::pair< fs::path, std::string > CASM::ProjectSettings::boost_includedir ( ) const

Get boost includedir.

Definition at line 365 of file ProjectSettings.cc.

std::pair< fs::path, std::string > CASM::ProjectSettings::boost_libdir ( ) const

Get boost libdir.

Definition at line 370 of file ProjectSettings.cc.

std::pair< fs::path, std::string > CASM::ProjectSettings::casm_includedir ( ) const

Get casm includedir.

Definition at line 355 of file ProjectSettings.cc.

std::pair< fs::path, std::string > CASM::ProjectSettings::casm_libdir ( ) const

Get casm libdir.

Definition at line 360 of file ProjectSettings.cc.

const ClexDescription & CASM::ProjectSettings::clex ( std::string name ) const

Definition at line 280 of file ProjectSettings.cc.

std::string CASM::ProjectSettings::clexulator ( ) const

Definition at line 419 of file ProjectSettings.cc.

const std::map< std::string, ClexDescription > & CASM::ProjectSettings::cluster_expansions ( ) const

Definition at line 272 of file ProjectSettings.cc.

void CASM::ProjectSettings::commit ( ) const

Save settings to project settings file.

Save settings to file.

re-throw exceptions

Definition at line 583 of file ProjectSettings.cc.

std::string CASM::ProjectSettings::compile_options ( ) const

Get current compilation options string.

Definition at line 375 of file ProjectSettings.cc.

double CASM::ProjectSettings::crystallography_tol ( ) const

Get current project crystallography tolerance.

Definition at line 407 of file ProjectSettings.cc.

std::pair< std::string, std::string > CASM::ProjectSettings::cxx ( ) const

Get c++ compiler.

Definition at line 340 of file ProjectSettings.cc.

std::pair< std::string, std::string > CASM::ProjectSettings::cxxflags ( ) const

Get c++ compiler options.

Definition at line 345 of file ProjectSettings.cc.

Log& CASM::Logging::debug_log ( ) const

inlineinherited

Definition at line 259 of file Log.hh.

const ClexDescription & CASM::ProjectSettings::default_clex ( ) const

Definition at line 309 of file ProjectSettings.cc.

const DirectoryStructure& CASM::ProjectSettings::dir ( ) const

inline

Definition at line 116 of file ProjectSettings.hh.

EnumeratorHandler& CASM::ProjectSettings::enumerator_handler ( )

inline

Definition at line 186 of file ProjectSettings.hh.

const EnumeratorHandler& CASM::ProjectSettings::enumerator_handler ( ) const

inline

Definition at line 193 of file ProjectSettings.hh.

bool CASM::ProjectSettings::erase_clex ( const ClexDescription & desc )

Definition at line 292 of file ProjectSettings.cc.

Log& CASM::Logging::err_log ( ) const

inlineinherited

Definition at line 263 of file Log.hh.

bool CASM::ProjectSettings::has_clex ( std::string name ) const

Definition at line 276 of file ProjectSettings.cc.

double CASM::ProjectSettings::lin_alg_tol ( ) const

Get current project linear algebra tolerance.

Definition at line 412 of file ProjectSettings.cc.

Log& CASM::Logging::log ( ) const

inlineinherited

Definition at line 255 of file Log.hh.

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

Get project name.

Definition at line 262 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_bset_dir ( std::string bset ) const

Add a basis set directory.

Definition at line 437 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_calc_settings_dir ( std::string calctype ) const

Add calculation settings directory path.

Definition at line 448 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_casm_dir ( ) const

Create new project data directory.

Definition at line 427 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_clex ( const ClexDescription & desc )

Definition at line 284 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_clex_dir ( std::string clex ) const

Add a cluster expansion directory.

Definition at line 442 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_configuration_calc_settings_dir	(	std::string	configname,
		std::string	calctype
	)		const

Add calculation settings directory path, for configuration specific settings.

Definition at line 458 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_eci_dir	(	std::string	clex,
		std::string	calctype,
		std::string	ref,
		std::string	bset,
		std::string	eci
	)		const

Add an eci directory.

Definition at line 469 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_ref_dir	(	std::string	calctype,
		std::string	ref
	)		const

Add a ref directory.

Definition at line 464 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_supercell_calc_settings_dir	(	std::string	scelname,
		std::string	calctype
	)		const

Add calculation settings directory path, for supercell specific settings.

Definition at line 453 of file ProjectSettings.cc.

bool CASM::ProjectSettings::new_symmetry_dir ( ) const

Create new symmetry directory.

Definition at line 432 of file ProjectSettings.cc.

const std::set< int > & CASM::ProjectSettings::nlist_sublat_indices ( ) const

Get set of sublattice indices to include in neighbor lists.

Definition at line 335 of file ProjectSettings.cc.

Eigen::Matrix3l CASM::ProjectSettings::nlist_weight_matrix ( ) const

Get neighbor list weight matrix.

Definition at line 330 of file ProjectSettings.cc.

static Logging CASM::Logging::null ( )

inlinestaticinherited

Definition at line 267 of file Log.hh.

void CASM::ProjectSettings::print_compiler_settings_summary ( Log & log ) const

Print summary of compiler settings, as for 'casm settings -l'.

Definition at line 669 of file ProjectSettings.cc.

void CASM::ProjectSettings::print_summary ( Log & log ) const

Print summary of ProjectSettings, as for 'casm settings -l'.

Definition at line 698 of file ProjectSettings.cc.

const std::vector< std::string > & CASM::ProjectSettings::properties ( ) const

Get current properties.

const Access current properties

Definition at line 477 of file ProjectSettings.cc.

std::vector< std::string > & CASM::ProjectSettings::properties ( )

Access current properties.

Definition at line 267 of file ProjectSettings.cc.

template<typename DataObject >

QueryHandler<DataObject>& CASM::ProjectSettings::query_handler ( )

inline

Definition at line 200 of file ProjectSettings.hh.

template<typename DataObject >

const QueryHandler<DataObject>& CASM::ProjectSettings::query_handler ( ) const

inline

Definition at line 214 of file ProjectSettings.hh.

bool CASM::ProjectSettings::set_boost_includedir ( fs::path dir )

Set boost includedir (empty string to use default)

Definition at line 540 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_boost_libdir ( fs::path dir )

Set boost libdir (empty string to use default)

Definition at line 546 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_boost_prefix ( fs::path dir )

Set boost prefix (empty string to use default)

Definition at line 533 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_casm_includedir ( fs::path dir )

Set casm includedir (empty string to use default)

Definition at line 521 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_casm_libdir ( fs::path dir )

Set casm libdir (empty string to use default)

Definition at line 527 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_casm_prefix ( fs::path dir )

Set casm prefix (empty string to use default)

Definition at line 514 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_compile_options ( std::string opt )

(deprecated) Set compile options to 'opt' (empty string to use default)

Definition at line 552 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_crystallography_tol ( double _tol )

Set crystallography tolerance.

Definition at line 571 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_cxx ( std::string opt )

Set c++ compiler (empty string to use default)

Definition at line 496 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_cxxflags ( std::string opt )

Set c++ compiler options (empty string to use default)

Definition at line 502 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_default_clex ( const std::string & clex_name )

Definition at line 313 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_default_clex ( const ClexDescription & desc )

Will overwrite existing ClexDescription with same name.

Definition at line 322 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_lin_alg_tol ( double _tol )

Set linear algebra tolerance.

Definition at line 577 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_nlist_weight_matrix ( Eigen::Matrix3l M )

Set neighbor list weight matrix (will delete existing Clexulator source and compiled code)

Definition at line 484 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_so_options ( std::string opt )

(deprecated) Set shared library options to 'opt' (empty string to use default)

Definition at line 558 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_soflags ( std::string opt )

Set shared object options (empty string to use default)

Definition at line 508 of file ProjectSettings.cc.

bool CASM::ProjectSettings::set_view_command ( std::string opt )

Set command used by 'casm view'.

Definition at line 565 of file ProjectSettings.cc.

std::string CASM::ProjectSettings::so_options ( ) const

Get current shared library options string.

Definition at line 388 of file ProjectSettings.cc.

std::pair< std::string, std::string > CASM::ProjectSettings::soflags ( ) const

Get shared object options.

Definition at line 350 of file ProjectSettings.cc.

jsonParser & CASM::ProjectSettings::to_json ( jsonParser & json ) const

Output as JSON.

Definition at line 621 of file ProjectSettings.cc.

std::string CASM::ProjectSettings::view_command ( ) const

Get current command used by 'casm view'.

Definition at line 402 of file ProjectSettings.cc.

Member Data Documentation

std::pair<fs::path, std::string> CASM::ProjectSettings::m_boost_includedir

private

Definition at line 370 of file ProjectSettings.hh.

std::pair<fs::path, std::string> CASM::ProjectSettings::m_boost_libdir

private

Definition at line 371 of file ProjectSettings.hh.

std::pair<fs::path, std::string> CASM::ProjectSettings::m_casm_includedir

private

Definition at line 368 of file ProjectSettings.hh.

std::pair<fs::path, std::string> CASM::ProjectSettings::m_casm_libdir

private

Definition at line 369 of file ProjectSettings.hh.

std::map<std::string, ClexDescription> CASM::ProjectSettings::m_clex

private

Definition at line 352 of file ProjectSettings.hh.

double CASM::ProjectSettings::m_crystallography_tol

private

Definition at line 382 of file ProjectSettings.hh.

std::pair<std::string, std::string> CASM::ProjectSettings::m_cxx

private

Definition at line 365 of file ProjectSettings.hh.

std::pair<std::string, std::string> CASM::ProjectSettings::m_cxxflags

private

Definition at line 366 of file ProjectSettings.hh.

std::string CASM::ProjectSettings::m_default_clex

private

Definition at line 355 of file ProjectSettings.hh.

std::string CASM::ProjectSettings::m_depr_compile_options

private

Definition at line 374 of file ProjectSettings.hh.

std::string CASM::ProjectSettings::m_depr_so_options

private

Definition at line 376 of file ProjectSettings.hh.

DirectoryStructure CASM::ProjectSettings::m_dir

private

Definition at line 342 of file ProjectSettings.hh.

notstd::cloneable_ptr<EnumeratorHandler> CASM::ProjectSettings::m_enumerator_handler

private

Definition at line 346 of file ProjectSettings.hh.

double CASM::ProjectSettings::m_lin_alg_tol

private

Definition at line 385 of file ProjectSettings.hh.

std::string CASM::ProjectSettings::m_name

private

Definition at line 344 of file ProjectSettings.hh.

std::set<int> CASM::ProjectSettings::m_nlist_sublat_indices

private

Definition at line 359 of file ProjectSettings.hh.

Eigen::Matrix3l CASM::ProjectSettings::m_nlist_weight_matrix

private

Definition at line 358 of file ProjectSettings.hh.

std::vector<std::string> CASM::ProjectSettings::m_properties

private

Definition at line 362 of file ProjectSettings.hh.

std::map<std::string, notstd::cloneable_ptr<notstd::Cloneable> > CASM::ProjectSettings::m_query_handler

private

Definition at line 347 of file ProjectSettings.hh.

std::pair<std::string, std::string> CASM::ProjectSettings::m_soflags

private

Definition at line 367 of file ProjectSettings.hh.

std::string CASM::ProjectSettings::m_view_command

private

Definition at line 379 of file ProjectSettings.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/app/ProjectSettings.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/app/ProjectSettings.cc

Detailed Description

Public Member Functions

Static Public Member Functions

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation