PLMD::Tools Class Reference

Empty class which just contains several (static) tools. More...

#include <Tools.h>

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Static Public Member Functions
static double	bessel0 (const double &val)
	Modified 0th-order Bessel function of the first kind.
static bool	caseInSensStringCompare (const std::string &str1, const std::string &str2)
	compare two string in a case insensitive manner
static std::string	concatenateExceptionMessages ()
	Build a concatenated exception message.
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.
static bool	convertNoexcept (const std::string &str, AtomNumber &t)
	Convert a string to a atom number, reading it.
static bool	convertNoexcept (const std::string &str, double &t)
	Convert a string to a double, reading it.
static bool	convertNoexcept (const std::string &str, float &t)
	Convert a string to a float, reading it.
static bool	convertNoexcept (const std::string &str, int &t)
	Convert a string to a int, reading it.
static bool	convertNoexcept (const std::string &str, long double &t)
	Convert a string to a long double, reading it.
static bool	convertNoexcept (const std::string &str, long int &t)
	Convert a string to a long int, reading it.
static bool	convertNoexcept (const std::string &str, long long int &t)
	Convert a string to a long long int, reading it.
static bool	convertNoexcept (const std::string &str, long long unsigned &t)
	Convert a string to a long long unsigned int, reading it.
static bool	convertNoexcept (const std::string &str, long unsigned &t)
	Convert a string to a long unsigned int, reading it.
static bool	convertNoexcept (const std::string &str, std::string &t)
	Convert a string to a string (i.e. copy)
static bool	convertNoexcept (const std::string &str, unsigned &t)
	Convert a string to an unsigned int, reading it.
template<typename T>
static bool	convertNoexcept (T i, std::string &str)
	Convert anything into a string.
static std::string	extension (const std::string &)
	Extract the extensions from a file name.
static double	fastpow (double base, int exp)
	Fast int power.
template<int exp, typename T = double>
static T	fastpow (T base)
	Fast int power for power known at compile time.
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.
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.
static bool	getline (FILE *, std::string &line)
	Get a line from the file pointer ifile.
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.
static std::vector< std::string >	getWords (std::string_view line, const char *sep=NULL, int *parlevel=NULL, const char *parenthesis="{", const bool &delete_parenthesis=true)
	Split the line in words using separators.
static void	getWordsSimple (gch::small_vector< std::string_view > &words, std::string_view line)
	Faster version This version does not parse parenthesis and operates on a preallocated small_vector of string_view's.
static void	interpretLabel (std::vector< std::string > &s)
	interpret ":" syntax for labels
static void	interpretRanges (std::vector< std::string > &)
	Interpret atom ranges.
static std::vector< std::string >	ls (const std::string &)
	list files in a directory
static void	ltrim (std::string &s)
	Remove leading blanks.
template<class T, class... Args>
static auto	make_unique (Args &&... args)
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.
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.
static double	pbc (double)
	Apply pbc for a unitary cell.
template<typename T>
static void	removeDuplicates (std::vector< T > &vec)
	Remove duplicates from a vector of type T.
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.
static void	stripLeadingAndTrailingBlanks (std::string &str)
	removes leading and trailing blanks from a string
static void	trim (std::string &s)
	Convert anything into anything, throwing an exception in case there is an error Remove trailing blanks.
static void	trimComments (std::string &s)
	Remove trailing comments.
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.
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).

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
template<class T>
static bool	convertToInt (const std::string &str, T &t)
	class to convert a string to a int type T
template<class T>
static bool	convertToReal (const std::string &str, T &t)
	class to convert a string to a real type T.
template<int exp, typename T = double, std::enable_if_t<(exp >=0), bool > = true>
static T	fastpow_rec (T base, T result)
	the recursive part of the template fastpow implementation

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() [1/2]

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

inlinestatic

Fast int power.

fastpow() [2/2]

template<int exp, typename T>

T PLMD::Tools::fastpow ( T base )

inlinestatic

Fast int power for power known at compile time.

fastpow_rec()

template<int exp, typename T, std::enable_if_t<(exp >=0), bool >>

T PLMD::Tools::fastpow_rec ( T base, T result )

inlinestaticprivate

the recursive part of the template fastpow implementation

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 ( std::string_view 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

getWordsSimple()

void PLMD::Tools::getWordsSimple ( gch::small_vector< std::string_view > & words, std::string_view line )

static

Faster version This version does not parse parenthesis and operates on a preallocated small_vector of string_view's.

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

ltrim()

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

static

Remove leading blanks.

make_unique()

template<class T, class... Args>

static auto PLMD::Tools::make_unique ( Args &&... args )

inlinestatic

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