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)
int	main (FILE *in, FILE *out, Communicator &pc)
	virtual function mapping to the specific main for each tool More...
void	evaluateNumericalDerivatives (const long int &step, Plumed &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)
string	description () const
	virtual function returning a one-line descriptor for the tool More...
template<>
string	description () const
	Specialized version. More...
void	setInputData (const std::map< std::string, std::string > &inputData)
	Set the input data: More...
const std::map< std::string, std::string > &	getInputData ()
bool	readInput (int argc, char **argv, FILE *in, FILE *out)
	Read the arguments from the command line. 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
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...
void	error (const std::string &msg)
	Crash the command line tool with an error. More...
template<class T >
bool	parseVector (const std::string &key, std::vector< T > &t)

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]

template<>

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 ( ) const

virtual

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,
		Plumed &	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  )

virtual

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

readInput()

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

inherited

Read the arguments from 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:

Member Data Documentation

inputdata

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

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

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

• cltools/Driver.cpp