madness::commandlineparser Struct Reference

very simple command line parser More...

#include <commandlineparser.h>

Public Member Functions
	commandlineparser ()
	commandlineparser (int argc, char **argv)
std::string	check_for_input_file (std::string line)
	special option: the input file has no hyphens in front and is just a value
bool	key_exists (std::string key) const
void	print_map () const
void	set_defaults ()
	set default values from the command line
void	set_keyval (const std::string key, const std::string value)
void	set_keyval_keep_case (const std::string key, const std::string value)
std::string	value (const std::string key) const
std::string	value_raw (const std::string key) const

Static Public Member Functions
static std::string	base_name (std::string const &path, std::string const &delims="/")
static std::string	remove_blanks (const std::string arg)
	remove all blanks
static std::string	remove_extension (std::string const &filename)
static std::string	remove_first_equal (const std::string arg)
static std::string	remove_front_hyphens (const std::string arg)
static std::vector< std::string >	split (std::string s, const std::string delimiter)
	split a string s into a vector of strings, using delimiter
static std::string	tolower (std::string s)
	make lower case
static std::string	trim_blanks (const std::string arg)
	remove blanks at the beginning and the end only

Public Attributes
std::map< std::string, std::string >	keyval
std::map< std::string, std::string >	keyval_raw

Detailed Description

very simple command line parser

parser reads out key/value pairs from the command line of the form --key=val or --key. By default values are case-folded so that chemistry-style enum knobs (e.g. --xc=HF, --localize=BOYS) match the lowercased allowed_values of QCCalculationParametersBase-derived classes.

Two accessors are exposed for retrieving values:

• value(key) — case-folded value (back-compat). Use for enum-like chemistry parameters.
• value_raw(key) — original-case value. Use for paths and free-form identifiers (archive filenames, JSON paths, …).

The bare-positional input-file form (e.g. madness_app /Some/Path/in.in) is also case-preserving — both value("input") and value_raw("input") return the path with original case.

Constructor & Destructor Documentation

commandlineparser() [1/2]

madness::commandlineparser::commandlineparser ( )

inline

References set_defaults().

commandlineparser() [2/2]

madness::commandlineparser::commandlineparser ( int argc, char ** argv )

inline

References a, check_for_input_file(), remove_first_equal(), remove_front_hyphens(), set_defaults(), set_keyval(), and set_keyval_keep_case().

Member Function Documentation

base_name()

std::string madness::commandlineparser::base_name ( std::string const & path, std::string const & delims = "/" )

inlinestatic

check_for_input_file()

std::string madness::commandlineparser::check_for_input_file ( std::string line )

inline

special option: the input file has no hyphens in front and is just a value

References split().

Referenced by commandlineparser().

key_exists()

bool madness::commandlineparser::key_exists ( std::string key ) const

inline

References keyval, and tolower().

Referenced by main(), main(), madness::QCCalculationParametersBase::read_commandline_options(), madness::QCCalculationParametersBase::read_input_and_commandline_options(), madness::Molecule::GeometryParameters::set_derived_values(), madness::Molecule::GeometryParameters::set_global_convenience_options(), value(), and value_raw().

print_map()

void madness::commandlineparser::print_map ( ) const

inline

References keyval.

Referenced by main(), and main().

remove_blanks()

std::string madness::commandlineparser::remove_blanks ( const std::string arg )

inlinestatic

remove all blanks

References madness::arg().

remove_extension()

std::string madness::commandlineparser::remove_extension ( std::string const & filename )

inlinestatic

References madness::filename, and p().

remove_first_equal()

std::string madness::commandlineparser::remove_first_equal ( const std::string arg )

inlinestatic

References madness::arg().

Referenced by commandlineparser().

remove_front_hyphens()

std::string madness::commandlineparser::remove_front_hyphens ( const std::string arg )

inlinestatic

References madness::arg().

Referenced by commandlineparser().

set_defaults()

void madness::commandlineparser::set_defaults ( )

inline

set default values from the command line

References keyval.

Referenced by commandlineparser(), and commandlineparser().

set_keyval()

void madness::commandlineparser::set_keyval ( const std::string key, const std::string value )

inline

References keyval, keyval_raw, tolower(), trim_blanks(), and value().

Referenced by commandlineparser(), dnuclear_anchor_test(), main(), nuclear_anchor_test(), run_all_calculations(), madness::TDHF::test(), test_deck_is_rejected(), test_fock(), test_nemo(), test_read_restartaodata(), test_read_restartdata(), test_serialize(), test_type_conversion8(), and test_XCOperator_matrix().

set_keyval_keep_case()

void madness::commandlineparser::set_keyval_keep_case ( const std::string key, const std::string value )

inline

References keyval, keyval_raw, tolower(), trim_blanks(), and value().

Referenced by commandlineparser().

split()

std::vector< std::string > madness::commandlineparser::split ( std::string s, const std::string delimiter )

inlinestatic

split a string s into a vector of strings, using delimiter

Parameters

[in]

s

the string (pass by value!)

Referenced by check_for_input_file(), main(), and madness::QCParameter::print_line().

tolower()

std::string madness::commandlineparser::tolower ( std::string s )

inlinestatic

make lower case

References c.

Referenced by key_exists(), madness::MacroTaskInfo::policy_to_string(), madness::MolecularOptimizer::projector_external_dof(), set_keyval(), set_keyval_keep_case(), madness::ExchangeAlgorithm< T, NDIM >::string2algorithm(), value(), and value_raw().

trim_blanks()

std::string madness::commandlineparser::trim_blanks ( const std::string arg )

inlinestatic

remove blanks at the beginning and the end only

References madness::arg().

Referenced by set_keyval(), and set_keyval_keep_case().

value()

std::string madness::commandlineparser::value ( const std::string key ) const

inline

References key_exists(), keyval, MADNESS_CHECK_THROW, and tolower().

Referenced by madness::CalculationParameters::CalculationParameters(), madness::Molecule::GeometryParameters::derive_source_type_from_name(), madness::Molecule::GeometryParameters::input_tag(), main(), main(), madness::QCCalculationParametersBase::read_commandline_options(), madness::QCCalculationParametersBase::read_input_and_commandline_options(), madness::Molecule::GeometryParameters::set_derived_values(), set_keyval(), set_keyval_keep_case(), and madness::TDHF::test().

value_raw()

std::string madness::commandlineparser::value_raw ( const std::string key ) const

inline

Original-case value lookup — use for paths and free-form identifiers (archive filenames, JSON paths, etc.). For enum-like chemistry knobs matched against allowed_values, prefer value(key) instead.

References key_exists(), keyval, keyval_raw, MADNESS_CHECK_THROW, and tolower().

Referenced by main(), and madness::Molecule::GeometryParameters::set_global_convenience_options().

Member Data Documentation

keyval

std::map<std::string, std::string> madness::commandlineparser::keyval

Referenced by key_exists(), print_map(), set_defaults(), set_keyval(), set_keyval_keep_case(), value(), and value_raw().

keyval_raw

std::map<std::string, std::string> madness::commandlineparser::keyval_raw

Referenced by set_keyval(), set_keyval_keep_case(), and value_raw().

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

• commandlineparser.h