PLMD::cltools::Driver< real > Class Template Reference

Inheritance diagram for PLMD::cltools::Driver< real >:

Public Types
enum	{ unset, commandline, ifile }
	How is the input specified on the command line or in an input file. More...

Public Member Functions
	Driver (const CLToolOptions &co)
string	description () const
	Specialized version. More...
string	description () const override
	virtual function returning a one-line descriptor for the tool More...
void	evaluateNumericalDerivatives (const long int &step, PlumedMain &p, const std::vector< real > &coordinates, const std::vector< real > &masses, const std::vector< real > &charges, std::vector< real > &cell, const double &base, std::vector< real > &numder)
const std::map< std::string, std::string > &	getInputData ()
int	main (FILE *in, FILE *out, Communicator &pc) override
	virtual function mapping to the specific main for each tool More...
bool	readInput (int argc, char **argv, FILE *in, FILE *out)
	Read the arguments from the command line. More...
void	setInputData (const std::map< std::string, std::string > &inputData)
	Set the input data: More...

Static Public Member Functions
static void	registerKeywords (Keywords &keys)

Public Attributes
enum PLMD::CLTool:: { ... }	inputdata
	How is the input specified on the command line or in an input file. More...

Protected Member Functions
void	error (const std::string &msg)
	Crash the command line tool with an error. More...
template<class T >
bool	parse (const std::string &key, T &t)
	Get the value of one of the command line arguments. More...
void	parseFlag (const std::string &key, bool &t)
	Find out whether one of the command line flags is present or not. More...
template<class T >
bool	parseVector (const std::string &key, std::vector< T > &t)

Private Member Functions
bool	readCommandLineArgs (int argc, char **argv, FILE *out)
	Read the arguments from the command line. More...
bool	readInputFile (int argc, char **argv, FILE *in, FILE *out)
	Read the arguments from an input file specified on the command line. More...
void	setRemainingToDefault (FILE *out)
	Set arguments from the default options provided to Keywords. More...

Private Attributes
std::map< std::string, std::string >	inputData
	The data read in from the command line stored in a map with the keywords. More...
const Keywords &	keywords
	The list of keywords for this CLTool. More...
const std::string	name
	The name of this command line tool. More...

Member Enumeration Documentation

anonymous enum

anonymous enum

inherited

How is the input specified on the command line or in an input file.

Enumerator
unset
commandline
ifile

Constructor & Destructor Documentation

Driver()

template<typename real >

PLMD::cltools::Driver< real >::Driver ( const CLToolOptions &  co )

explicit

Member Function Documentation

description() [1/2]

string PLMD::cltools::Driver< float >::description ( ) const

virtual

Specialized version.

Reimplemented from PLMD::CLTool.

description() [2/2]

template<typename real >

string PLMD::cltools::Driver< real >::description

overridevirtual

virtual function returning a one-line descriptor for the tool

Reimplemented from PLMD::CLTool.

error()

void PLMD::CLTool::error ( const std::string &  msg )

protectedinherited

Crash the command line tool with an error.

evaluateNumericalDerivatives()

template<typename real >

void PLMD::cltools::Driver< real >::evaluateNumericalDerivatives	(	const long int &	step,
		PlumedMain &	p,
		const std::vector< real > &	coordinates,
		const std::vector< real > &	masses,
		const std::vector< real > &	charges,
		std::vector< real > &	cell,
		const double &	base,
		std::vector< real > &	numder
	)

getInputData()

const std::map<std::string,std::string>& PLMD::CLTool::getInputData ( )

inlineinherited

main()

template<typename real >

int PLMD::cltools::Driver< real >::main ( FILE *  in, FILE *  out, Communicator &  pc  )

overridevirtual

virtual function mapping to the specific main for each tool

Implements PLMD::CLTool.

parse()

template<class T >

bool PLMD::CLTool::parse ( const std::string &  key, T &  t  )

protectedinherited

Get the value of one of the command line arguments.

parseFlag()

void PLMD::CLTool::parseFlag ( const std::string &  key, bool &  t  )

protectedinherited

Find out whether one of the command line flags is present or not.

parseVector()

template<class T >

bool PLMD::CLTool::parseVector ( const std::string &  key, std::vector< T > &  t  )

protectedinherited

readCommandLineArgs()

bool PLMD::CLTool::readCommandLineArgs ( int  argc, char **  argv, FILE *  out  )

privateinherited

Read the arguments from the command line.

readInput()

bool PLMD::CLTool::readInput ( int  argc, char **  argv, FILE *  in, FILE *  out  )

inherited

Read the arguments from the command line.

readInputFile()

bool PLMD::CLTool::readInputFile ( int  argc, char **  argv, FILE *  in, FILE *  out  )

privateinherited

Read the arguments from an input file specified on the command line.

registerKeywords()

template<typename real >

void PLMD::cltools::Driver< real >::registerKeywords ( Keywords &  keys )

static

setInputData()

void PLMD::CLTool::setInputData ( const std::map< std::string, std::string > &  inputData )

inlineinherited

Set the input data:

setRemainingToDefault()

void PLMD::CLTool::setRemainingToDefault ( FILE *  out )

privateinherited

Set arguments from the default options provided to Keywords.

Member Data Documentation

inputData

std::map<std::string,std::string> PLMD::CLTool::inputData

privateinherited

The data read in from the command line stored in a map with the keywords.

inputdata

enum { ... } PLMD::CLTool::inputdata

How is the input specified on the command line or in an input file.

keywords

const Keywords& PLMD::CLTool::keywords

privateinherited

The list of keywords for this CLTool.

name

const std::string PLMD::CLTool::name

privateinherited

The name of this command line tool.

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

• cltools/Driver.cpp