#include "QCCalculationParametersBase.h"
#include "parallel_archive.h"

Include dependency graph for test_QCCalculationParametersBase.cc:

Classes
struct	inputfile

class	Parameters

Functions
int	main (int argc, char **argv)

bool	test_blank_separated_string (World &world)
	blank-separated values for free-form string keys, e.g. `xc GGA_X_PBE 0.75 ...`

bool	test_blank_separated_string_commandline (World &world)
	the same values, coming in through –<tag>="key=val; key=val"

bool	test_capitalization (World &world)

bool	test_comment_lines (World &world)

void	test_contains (const std::string &msg, const std::string &snippet)
	check that an error message carries `snippet`, wherever in the message it sits

void	test_deck_is_rejected (World &world, const std::string &inputlines, const std::string &key)
	a deck that cannot be parsed must be rejected, naming the offending key

bool	test_derived (World &world)

bool	test_empty_lines (World &world)

bool	test_not_allowed (World &world)

template<typename T >
void	test_same (const T &t1, const T &t2)

bool	test_serialize (World &world)

bool	test_trailing_characters (World &world)
	a value that does not convert must abort the run, not be printed and ignored

bool	test_type_conversion1 (World &world)

bool	test_type_conversion2 (World &world)

bool	test_type_conversion3 (World &world)

bool	test_type_conversion4 (World &world)

bool	test_type_conversion5 (World &world)

bool	test_type_conversion6 (World &world)

bool	test_type_conversion7 (World &world)

bool	test_type_conversion8 (World &world)

Function Documentation

◆ main()

int main	(	int	argc,
		char **	argv
	)

◆ test_blank_separated_string()

bool test_blank_separated_string ( World & world )

blank-separated values for free-form string keys, e.g. xc GGA_X_PBE 0.75 ...

double quotes used to be mandatory: an unquoted line kept only the first word and then tripped the trailing-character check, so the value was discarded

References madness::nonlinear_vector_solver(), param, madness::print(), madness::commandlineparser::set_keyval(), and test_same().

Referenced by main().

◆ test_blank_separated_string_commandline()

bool test_blank_separated_string_commandline ( World & world )

the same values, coming in through –<tag>="key=val; key=val"

References param, madness::print(), madness::commandlineparser::set_keyval(), and test_same().

Referenced by main().

◆ test_capitalization()

bool test_capitalization ( World & world )

References madness::nonlinear_vector_solver(), param, madness::print(), madness::commandlineparser::set_keyval(), and test_same().

Referenced by main().

◆ test_comment_lines()

bool test_comment_lines ( World & world )

References madness::nonlinear_vector_solver(), param, madness::print(), madness::commandlineparser::set_keyval(), and test_same().

Referenced by main().

◆ test_contains()

void test_contains	(	const std::string &	msg,
		const std::string &	snippet
	)

check that an error message carries snippet, wherever in the message it sits

References madness::nonlinear_vector_solver().

Referenced by test_deck_is_rejected(), and test_not_allowed().

◆ test_deck_is_rejected()

void test_deck_is_rejected	(	World &	world,
		const std::string &	inputlines,
		const std::string &	key
	)

a deck that cannot be parsed must be rejected, naming the offending key

these used to pass vacuously: read_input_and_commandline_options printed the error and swallowed it, so the catch block below was never entered

References madness::nonlinear_vector_solver(), param, madness::commandlineparser::set_keyval(), and test_contains().

Referenced by test_trailing_characters(), test_type_conversion3(), and test_type_conversion4().

◆ test_derived()

bool test_derived ( World & world )

References madness::nonlinear_vector_solver(), param, madness::print(), madness::commandlineparser::set_keyval(), and test_same().

Referenced by main().

◆ test_empty_lines()

bool test_empty_lines ( World & world )

References madness::nonlinear_vector_solver(), param, madness::print(), madness::commandlineparser::set_keyval(), and test_same().

Referenced by main().

◆ test_not_allowed()

bool test_not_allowed ( World & world )

References errmsg(), madness::nonlinear_vector_solver(), param, madness::print(), madness::commandlineparser::set_keyval(), test_contains(), and test_same().

Referenced by main().

◆ test_same()

template<typename T >

void test_same	(	const T &	t1,
		const T &	t2
	)

References madness::nonlinear_vector_solver(), and madness::print().

Referenced by test_blank_separated_string(), test_blank_separated_string_commandline(), test_capitalization(), test_comment_lines(), test_derived(), test_empty_lines(), test_not_allowed(), test_serialize(), test_type_conversion1(), test_type_conversion2(), test_type_conversion5(), test_type_conversion6(), test_type_conversion7(), and test_type_conversion8().

◆ test_serialize()

bool test_serialize ( World & world )

References madness::name(), madness::nonlinear_vector_solver(), param, madness::QCCalculationParametersBase::print(), madness::commandlineparser::set_keyval(), and test_same().

Referenced by main().

◆ test_trailing_characters()

bool test_trailing_characters ( World & world )

a value that does not convert must abort the run, not be printed and ignored

swallowing it left the calculation running with the default value, so a deck that asked for something the parser choked on quietly computed something else

References madness::nonlinear_vector_solver(), madness::print(), and test_deck_is_rejected().

Referenced by main().