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enum PLMD::CLTool:: { ... } | inputdata |
| How is the input specified on the command line or in an input file. More...
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void | error (const std::string &msg) |
| Crash the command line tool with an error. More...
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template<class T > |
bool | parse (const std::string &key, T &t) |
| Get the value of one of the command line arguments. More...
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void | parseFlag (const std::string &key, bool &t) |
| Find out whether one of the command line flags is present or not. More...
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template<class T > |
bool | parseVector (const std::string &key, std::vector< T > &t) |
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std::string | description () const override |
| virtual function returning a one-line descriptor for the tool More...
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void | read_input (double &temperature, double &tstep, double &friction, int &dim, std::string &plumedin, std::vector< double > &ipos, int &nstep, bool &lperiod, std::vector< double > &periods, int &idum) |
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bool | readCommandLineArgs (int argc, char **argv, FILE *out) |
| Read the arguments from the command line. More...
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bool | readInputFile (int argc, char **argv, FILE *in, FILE *out) |
| Read the arguments from an input file specified on the command line. More...
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void | setRemainingToDefault (FILE *out) |
| Set arguments from the default options provided to Keywords. More...
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◆ anonymous enum
How is the input specified on the command line or in an input file.
Enumerator |
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unset | |
commandline | |
ifile | |
◆ PesMD()
◆ description()
std::string PLMD::cltools::PesMD::description |
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const |
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inlineoverrideprivatevirtual |
virtual function returning a one-line descriptor for the tool
Reimplemented from PLMD::CLTool.
◆ error()
void PLMD::CLTool::error |
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const std::string & |
msg | ) |
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protectedinherited |
Crash the command line tool with an error.
◆ getInputData()
const std::map<std::string,std::string>& PLMD::CLTool::getInputData |
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inlineinherited |
◆ main()
virtual function mapping to the specific main for each tool
Implements PLMD::CLTool.
◆ parse()
template<class T >
bool PLMD::CLTool::parse |
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const std::string & |
key, |
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T & |
t |
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protectedinherited |
Get the value of one of the command line arguments.
◆ parseFlag()
void PLMD::CLTool::parseFlag |
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const std::string & |
key, |
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bool & |
t |
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protectedinherited |
Find out whether one of the command line flags is present or not.
◆ parseVector()
template<class T >
bool PLMD::CLTool::parseVector |
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const std::string & |
key, |
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std::vector< T > & |
t |
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protectedinherited |
◆ read_input()
void PLMD::cltools::PesMD::read_input |
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double & |
temperature, |
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double & |
tstep, |
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double & |
friction, |
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int & |
dim, |
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std::string & |
plumedin, |
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std::vector< double > & |
ipos, |
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int & |
nstep, |
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bool & |
lperiod, |
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std::vector< double > & |
periods, |
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int & |
idum |
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) |
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inlineprivate |
◆ readCommandLineArgs()
bool PLMD::CLTool::readCommandLineArgs |
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int |
argc, |
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char ** |
argv, |
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FILE * |
out |
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privateinherited |
Read the arguments from the command line.
◆ readInput()
bool PLMD::CLTool::readInput |
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int |
argc, |
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char ** |
argv, |
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FILE * |
in, |
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FILE * |
out |
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inherited |
Read the arguments from the command line.
◆ readInputFile()
bool PLMD::CLTool::readInputFile |
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int |
argc, |
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char ** |
argv, |
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FILE * |
in, |
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FILE * |
out |
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privateinherited |
Read the arguments from an input file specified on the command line.
◆ registerKeywords()
static void PLMD::cltools::PesMD::registerKeywords |
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Keywords & |
keys | ) |
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inlinestatic |
◆ setInputData()
void PLMD::CLTool::setInputData |
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const std::map< std::string, std::string > & |
inputData | ) |
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inlineinherited |
◆ setRemainingToDefault()
void PLMD::CLTool::setRemainingToDefault |
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FILE * |
out | ) |
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privateinherited |
Set arguments from the default options provided to Keywords.
◆ inputData
std::map<std::string,std::string> PLMD::CLTool::inputData |
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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
The list of keywords for this CLTool.
◆ name
const std::string PLMD::CLTool::name |
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privateinherited |
The name of this command line tool.
The documentation for this class was generated from the following file: