Public Types | Public Member Functions | Static Public Member Functions | Public Attributes | Protected Member Functions | Private Member Functions | Private Attributes | List of all members
PLMD::cltools::Driver< real > Class Template Reference
Inheritance diagram for PLMD::cltools::Driver< real >:
Inheritance graph
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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)
 
std::string description () const
 Specialized version. More...
 
std::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 Keywordskeywords
 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]

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

Specialized version.

Reimplemented from PLMD::CLTool.

◆ description() [2/2]

template<typename real >
std::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.


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