#include <Tools.h>

Classes
struct	_Unique_if
	Mimic C++14 std::make_unique. More...

struct	_Unique_if< T[]>

struct	_Unique_if< T[N]>

class	DirectoryChanger
	Tiny class that changes directory and comes back when going out of scope. More...

Static Public Member Functions
static double	bessel0 (const double &val)
	Modified 0th-order Bessel function of the first kind. More...

static bool	caseInSensStringCompare (const std::string &str1, const std::string &str2)
	compare two string in a case insensitive manner More...

static std::string	concatenateExceptionMessages ()
	Build a concatenated exception message. More...

template<typename T , typename U >
static void	convert (const T &t, U &u)
	Find a keyword on the input line, eventually deleting it, and saving its value to val. More...

static bool	convertNoexcept (const std::string &str, AtomNumber &t)
	Convert a string to a atom number, reading it. More...

static bool	convertNoexcept (const std::string &str, double &t)
	Convert a string to a double, reading it. More...

static bool	convertNoexcept (const std::string &str, float &t)
	Convert a string to a float, reading it. More...

static bool	convertNoexcept (const std::string &str, int &t)
	Convert a string to a int, reading it. More...

static bool	convertNoexcept (const std::string &str, long double &t)
	Convert a string to a long double, reading it. More...

static bool	convertNoexcept (const std::string &str, long int &t)
	Convert a string to a long int, reading it. More...

static bool	convertNoexcept (const std::string &str, long long int &t)
	Convert a string to a long long int, reading it. More...

static bool	convertNoexcept (const std::string &str, long long unsigned &t)
	Convert a string to a long long unsigned int, reading it. More...

static bool	convertNoexcept (const std::string &str, long unsigned &t)
	Convert a string to a long unsigned int, reading it. More...

static bool	convertNoexcept (const std::string &str, std::string &t)
	Convert a string to a string (i.e. copy) More...

static bool	convertNoexcept (const std::string &str, unsigned &t)
	Convert a string to an unsigned int, reading it. More...

template<typename T >
static bool	convertNoexcept (T i, std::string &str)
	Convert anything into a string. More...

static std::string	extension (const std::string &)
	Extract the extensions from a file name. More...

static double	fastpow (double base, int exp)
	Fast int power. More...

static bool	findKeyword (const std::vector< std::string > &line, const std::string &key)
	Find a keyword on the input line, just reporting if it exists or not. More...

static bool	getKey (std::vector< std::string > &line, const std::string &key, std::string &s, int rep=-1)
	Retrieve a key from a vector of options. More...

static bool	getline (FILE *, std::string &line)
	Get a line from the file pointer ifile. More...

static bool	getParsedLine (IFile &ifile, std::vector< std::string > &line, const bool trimcomments=true)
	Get a parsed line from the file pointer ifile This function already takes care of joining continued lines and splitting the resulting line into an array of words. More...

static std::vector< std::string >	getWords (const std::string &line, const char sep=NULL, int parlevel=NULL, const char *parenthesis="{", const bool &delete_parenthesis=true)
	Split the line in words using separators. More...

static void	interpretLabel (std::vector< std::string > &s)
	interpret ":" syntax for labels More...

static void	interpretRanges (std::vector< std::string > &)
	Interpret atom ranges. More...

static std::vector< std::string >	ls (const std::string &)
	list files in a directory More...

template<class T , class... Args>
static _Unique_if< T >::_Single_object	make_unique (Args &&... args)

template<class T , class... Args>
static _Unique_if< T >::_Known_bound	make_unique (Args &&...)=delete

template<class T >
static _Unique_if< T >::_Unknown_bound	make_unique (std::size_t n)

template<class C >
static void	mergeSortedVectors (const std::vector< C * > &vecs, std::vector< typename C::value_type > &result, bool priority_queue=false)
	Merge sorted vectors. More...

static std::unique_ptr< std::lock_guard< std::mutex > >	molfile_lock ()

template<typename T >
static bool	parse (std::vector< std::string > &line, const std::string &key, T &val, int rep=-1)

static bool	parseFlag (std::vector< std::string > &line, const std::string &key, bool &val)
	Find a keyword without arguments on the input line. More...

template<class T >
static bool	parseVector (std::vector< std::string > &line, const std::string &key, std::vector< T > &val, int rep=-1)
	Find a keyword on the input line, eventually deleting it, and saving its value to a vector. More...

static double	pbc (double)
	Apply pbc for a unitary cell. More...

template<typename T >
static void	removeDuplicates (std::vector< T > &vec)
	Remove duplicates from a vector of type T. More...

static void	set_to_zero (double *ptr, unsigned n)

template<unsigned n, unsigned m>
static void	set_to_zero (std::vector< TensorGeneric< n, m >> &vec)

template<unsigned n>
static void	set_to_zero (std::vector< VectorGeneric< n >> &vec)

static bool	startWith (const std::string &full, const std::string &start)
	Check if a string full starts with string start. More...

static void	stripLeadingAndTrailingBlanks (std::string &str)
	removes leading and trailing blanks from a string More...

static void	trim (std::string &s)
	Convert anything into anything, throwing an exception in case there is an error Remove trailing blanks. More...

static void	trimComments (std::string &s)
	Remove trailing comments. More...

template<typename T >
static std::vector< const T * >	unique2raw (const std::vector< std::unique_ptr< const T >> &)
	Tool to create a vector of raw pointers from a vector of unique_pointers. More...

template<typename T >
static std::vector< T * >	unique2raw (const std::vector< std::unique_ptr< T >> &)
	Tool to create a vector of raw pointers from a vector of unique_pointers (const version). More...

Static Private Member Functions
template<class T >
static bool	convertToAny (const std::string &str, T &t)
	class to convert a string to a generic type T More...

template<class T >
static bool	convertToInt (const std::string &str, T &t)
	class to convert a string to a int type T More...

template<class T >
static bool	convertToReal (const std::string &str, T &t)
	class to convert a string to a real type T. More...

Detailed Description

Empty class which just contains several (static) tools

Member Function Documentation

◆ bessel0()

double PLMD::Tools::bessel0 ( const double & val )

static

Modified 0th-order Bessel function of the first kind.

◆ caseInSensStringCompare()

bool PLMD::Tools::caseInSensStringCompare	(	const std::string &	str1,
		const std::string &	str2
	)

static

compare two string in a case insensitive manner

◆ concatenateExceptionMessages()

std::string PLMD::Tools::concatenateExceptionMessages ( )

static

Build a concatenated exception message.

Should be called with an in-flight exception.

◆ convert()

template<typename T , typename U >

static void PLMD::Tools::convert	(	const T &	t,
		U &	u
	)

inlinestatic

Find a keyword on the input line, eventually deleting it, and saving its value to val.

◆ convertNoexcept() [1/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		AtomNumber &	t
	)

static

Convert a string to a atom number, reading it.

◆ convertNoexcept() [2/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		double &	t
	)

static

Convert a string to a double, reading it.

◆ convertNoexcept() [3/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		float &	t
	)

static

Convert a string to a float, reading it.

◆ convertNoexcept() [4/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		int &	t
	)

static

Convert a string to a int, reading it.

◆ convertNoexcept() [5/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		long double &	t
	)

static

Convert a string to a long double, reading it.

◆ convertNoexcept() [6/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		long int &	t
	)

static

Convert a string to a long int, reading it.

◆ convertNoexcept() [7/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		long long int &	t
	)

static

Convert a string to a long long int, reading it.

◆ convertNoexcept() [8/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		long long unsigned &	t
	)

static

Convert a string to a long long unsigned int, reading it.

◆ convertNoexcept() [9/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		long unsigned &	t
	)

static

Convert a string to a long unsigned int, reading it.

◆ convertNoexcept() [10/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		std::string &	t
	)

static

Convert a string to a string (i.e. copy)

◆ convertNoexcept() [11/12]

bool PLMD::Tools::convertNoexcept	(	const std::string &	str,
		unsigned &	t
	)

static

Convert a string to an unsigned int, reading it.

◆ convertNoexcept() [12/12]

template<typename T >

bool PLMD::Tools::convertNoexcept	(	T	i,
		std::string &	str
	)

static

Convert anything into a string.

◆ convertToAny()

template<class T >

bool PLMD::Tools::convertToAny	(	const std::string &	str,
		T &	t
	)

staticprivate

class to convert a string to a generic type T

◆ convertToInt()

template<class T >

bool PLMD::Tools::convertToInt	(	const std::string &	str,
		T &	t
	)

staticprivate

class to convert a string to a int type T

◆ convertToReal()

template<class T >

bool PLMD::Tools::convertToReal	(	const std::string &	str,
		T &	t
	)

staticprivate

class to convert a string to a real type T.

T should be either float, double, or long double

◆ extension()

std::string PLMD::Tools::extension ( const std::string & s )

static

Extract the extensions from a file name.

E.g.: extension("pippo.xyz")="xyz". It only returns extensions with a length between 1 and 4 E.g.: extension("pippo.12345")="" whereas extenion("pippo.1234")="1234"; It is also smart enough to detect "/", so that extension("pippo/.t")="" whereas extension("pippo/a.t")="t"

◆ fastpow()

double PLMD::Tools::fastpow	(	double	base,
		int	exp
	)

inlinestatic

Fast int power.

◆ findKeyword()

bool PLMD::Tools::findKeyword	(	const std::vector< std::string > &	line,
		const std::string &	key
	)

static

Find a keyword on the input line, just reporting if it exists or not.

◆ getKey()

bool PLMD::Tools::getKey	(	std::vector< std::string > &	line,
		const std::string &	key,
		std::string &	s,
		int	rep = `-1`
	)

static

Retrieve a key from a vector of options.

It finds a key starting with "key=" or equal to "key" and copy the part after the = on s. E.g.: line.push_back("aa=xx"); getKey(line,"aa",s); will set s="xx"

◆ getline()

bool PLMD::Tools::getline	(	FILE *	fp,
		std::string &	line
	)

static

Get a line from the file pointer ifile.

◆ getParsedLine()

bool PLMD::Tools::getParsedLine	(	IFile &	ifile,
		std::vector< std::string > &	line,
		const bool	trimcomments = `true`
	)

static

Get a parsed line from the file pointer ifile This function already takes care of joining continued lines and splitting the resulting line into an array of words.

◆ getWords()

std::vector< std::string > PLMD::Tools::getWords	(	const std::string &	line,
		const char *	sep = `NULL`,
		int *	parlevel = `NULL`,
		const char *	parenthesis = `"{"`,
		const bool &	delete_parenthesis = `true`
	)

static

Split the line in words using separators.

It also take into account parenthesis. Outer parenthesis found are removed from output, and the text between them is considered as a single word. Only the outer parenthesis are processed, to allow nesting them. parlevel, if not NULL, is increased or decreased according to the number of opened/closed parenthesis

◆ interpretLabel()

void PLMD::Tools::interpretLabel ( std::vector< std::string > & s )

static

interpret ":" syntax for labels

◆ interpretRanges()

void PLMD::Tools::interpretRanges ( std::vector< std::string > & s )

static

Interpret atom ranges.

◆ ls()

std::vector< std::string > PLMD::Tools::ls ( const std::string & d )

static

list files in a directory

◆ make_unique() [1/3]

template<class T , class... Args>

static _Unique_if<T>::_Single_object PLMD::Tools::make_unique ( Args &&... args )

inlinestatic

◆ make_unique() [2/3]

template<class T , class... Args>

static _Unique_if<T>::_Known_bound PLMD::Tools::make_unique ( Args && ... )

staticdelete

◆ make_unique() [3/3]

template<class T >

static _Unique_if<T>::_Unknown_bound PLMD::Tools::make_unique ( std::size_t n )

inlinestatic

◆ mergeSortedVectors()

template<class C >

static void PLMD::Tools::mergeSortedVectors	(	const std::vector< C * > &	vecs,
		std::vector< typename C::value_type > &	result,
		bool	priority_queue = `false`
	)

inlinestatic

Merge sorted vectors.

Takes a vector of pointers to containers and merge them. Containers should be already sorted. The content is appended to the result vector. Optionally, uses a priority_queue implementation.

local class storing the range of remaining objects to be pushed

check if this vector still contains something to be pushed

to allow using a priority_queu, which selects the highest element. we here (counterintuitively) define < as >

◆ molfile_lock()

std::unique_ptr< std::lock_guard< std::mutex > > PLMD::Tools::molfile_lock ( )

static

◆ parse()

template<class T >

bool PLMD::Tools::parse	(	std::vector< std::string > &	line,
		const std::string &	key,
		T &	val,
		int	rep = `-1`
	)

static

◆ parseFlag()

bool PLMD::Tools::parseFlag	(	std::vector< std::string > &	line,
		const std::string &	key,
		bool &	val
	)

inlinestatic

Find a keyword without arguments on the input line.

◆ parseVector()

template<class T >

bool PLMD::Tools::parseVector	(	std::vector< std::string > &	line,
		const std::string &	key,
		std::vector< T > &	val,
		int	rep = `-1`
	)

static

Find a keyword on the input line, eventually deleting it, and saving its value to a vector.

◆ pbc()

double PLMD::Tools::pbc ( double x )

inlinestatic

Apply pbc for a unitary cell.

beware: this brings any number into a pbc that ranges from -0.5 to 0.5

◆ removeDuplicates()

template<typename T >

void PLMD::Tools::removeDuplicates ( std::vector< T > & vec )

static

Remove duplicates from a vector of type T.

◆ set_to_zero() [1/3]

static void PLMD::Tools::set_to_zero	(	double *	ptr,
		unsigned	n
	)

inlinestatic

◆ set_to_zero() [2/3]

template<unsigned n, unsigned m>

static void PLMD::Tools::set_to_zero ( std::vector< TensorGeneric< n, m >> & vec )

inlinestatic

◆ set_to_zero() [3/3]

template<unsigned n>

static void PLMD::Tools::set_to_zero ( std::vector< VectorGeneric< n >> & vec )

inlinestatic

◆ startWith()

bool PLMD::Tools::startWith	(	const std::string &	full,
		const std::string &	start
	)

static

Check if a string full starts with string start.

Same as full.find(start)==0

◆ stripLeadingAndTrailingBlanks()

void PLMD::Tools::stripLeadingAndTrailingBlanks ( std::string & str )

static

removes leading and trailing blanks from a string

◆ trim()

void PLMD::Tools::trim ( std::string & s )

static

Convert anything into anything, throwing an exception in case there is an error Remove trailing blanks.

◆ trimComments()

void PLMD::Tools::trimComments ( std::string & s )

static

Remove trailing comments.

◆ unique2raw() [1/2]

template<typename T >

std::vector< const T * > PLMD::Tools::unique2raw ( const std::vector< std::unique_ptr< const T >> & x )

static

Tool to create a vector of raw pointers from a vector of unique_pointers.

See the non const version.

◆ unique2raw() [2/2]

template<typename T >

std::vector< T * > PLMD::Tools::unique2raw ( const std::vector< std::unique_ptr< T >> & x )

static

Tool to create a vector of raw pointers from a vector of unique_pointers (const version).

Returning a vector is fast in C++11. It can be used in order to feed a vector<unique_ptr<T>> to a function that takes a vector<T*>.

// some function that takes a vec
void func(std::vector<Data*> & vec);
std::vector<std::unique_ptr<Data>> vec;
// func(vec); // does not compile
func(Tools::unique2raw(vec)); // compiles

Notice that the conversion is fast but takes some time to allocate the new vector and copy the pointers. In case the function acting on the vector<T*> is very fast and we do not want to add significant overhead, it might be convenient to store a separate set of raw pointers.

// some function that takes a vec
void func(std::vector<Data*> & vec);
std::vector<std::unique_ptr<Data>> vec;

// conversion done only once:
auto vec_ptr=Tools::unique2raw(vec);

for(int i=0;i<1000;i++){
  func(vec_ptr);
}

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

tools/Tools.h
tools/Tools.cpp

Classes

Static Public Member Functions

Static Private Member Functions

Detailed Description

Member Function Documentation

◆ bessel0()

◆ caseInSensStringCompare()

◆ concatenateExceptionMessages()

◆ convert()

◆ convertNoexcept() [1/12]

◆ convertNoexcept() [2/12]

◆ convertNoexcept() [3/12]

◆ convertNoexcept() [4/12]

◆ convertNoexcept() [5/12]

◆ convertNoexcept() [6/12]

◆ convertNoexcept() [7/12]

◆ convertNoexcept() [8/12]

◆ convertNoexcept() [9/12]

◆ convertNoexcept() [10/12]

◆ convertNoexcept() [11/12]

◆ convertNoexcept() [12/12]

◆ convertToAny()

◆ convertToInt()

◆ convertToReal()

◆ extension()

◆ fastpow()

◆ findKeyword()

◆ getKey()

◆ getline()

◆ getParsedLine()

◆ getWords()

◆ interpretLabel()

◆ interpretRanges()

◆ ls()

◆ make_unique() [1/3]

◆ make_unique() [2/3]

◆ make_unique() [3/3]

◆ mergeSortedVectors()

◆ molfile_lock()

◆ parse()

◆ parseFlag()

◆ parseVector()

◆ pbc()

◆ removeDuplicates()

◆ set_to_zero() [1/3]

◆ set_to_zero() [2/3]

◆ set_to_zero() [3/3]

◆ startWith()

◆ stripLeadingAndTrailingBlanks()

◆ trim()

◆ trimComments()

◆ unique2raw() [1/2]

◆ unique2raw() [2/2]