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Public Member Functions | Private Attributes | List of all members
PLMD::Units Class Reference

Small utility class that contains information about units. More...

#include <Units.h>

Public Member Functions

 Units ()
 Constructor, setting default values (1.0) More...
 
void setEnergy (const std::string &)
 Set energy units from string. More...
 
void setTime (const std::string &)
 Set time units from string. More...
 
void setLength (const std::string &)
 Set lengh units from string. More...
 
void setEnergy (double)
 Set energy units from double. More...
 
void setTime (double)
 Set time units from double. More...
 
void setLength (double)
 Set lenght units from double. More...
 
const double & getEnergy () const
 Get energy units as double. More...
 
const double & getLength () const
 Get length units as double. More...
 
const double & getTime () const
 Get time units as double. More...
 
const std::string & getEnergyString () const
 Get energy units as string. More...
 
const std::string & getLengthString () const
 Get length units as string. More...
 
const std::string & getTimeString () const
 Get time units as string. More...
 

Private Attributes

double energy
 Units for energy, expressed in kj/mol (e.g. 4.184 means kcal/mol) More...
 
std::string energyString
 
double length
 Units for length, expressed in nm (e.g. 0.1 means A) More...
 
std::string lengthString
 
double time
 Units for time, expressed in ps (e.g. 0.001 means fs) More...
 
std::string timeString
 

Detailed Description

Small utility class that contains information about units.

This class can be used to contain in a single place all the information about units. Units are expressed in terms of standard PLUMED units, i.e. kj/mol, nm, and ps. Units can be set as double or as string. In the latter case, one can also use strings such as kcal/mol.

Constructor & Destructor Documentation

PLMD::Units::Units ( )

Constructor, setting default values (1.0)

Member Function Documentation

const double & PLMD::Units::getEnergy ( ) const
inline

Get energy units as double.

const std::string & PLMD::Units::getEnergyString ( ) const
inline

Get energy units as string.

const double & PLMD::Units::getLength ( ) const
inline

Get length units as double.

const std::string & PLMD::Units::getLengthString ( ) const
inline

Get length units as string.

const double & PLMD::Units::getTime ( ) const
inline

Get time units as double.

const std::string & PLMD::Units::getTimeString ( ) const
inline

Get time units as string.

void PLMD::Units::setEnergy ( const std::string &  s)

Set energy units from string.

Also understands the following strings: kj/mol, kcal/mol, j/mol, and eV.

void PLMD::Units::setEnergy ( double  s)

Set energy units from double.

Should be specified in units of kj/mol (e.g. 4.184 means kcal/mol)

void PLMD::Units::setLength ( const std::string &  s)

Set lengh units from string.

Also understands the following strings: nm, A, um.

void PLMD::Units::setLength ( double  s)

Set lenght units from double.

Should be specified in units of nm (e.g. 0.1 means A)

void PLMD::Units::setTime ( const std::string &  s)

Set time units from string.

Also understands the following strings: ps, ns, fs.

void PLMD::Units::setTime ( double  s)

Set time units from double.

Should be specified in units of ps (e.g. 0.001 means fs)

Member Data Documentation

double PLMD::Units::energy
private

Units for energy, expressed in kj/mol (e.g. 4.184 means kcal/mol)

std::string PLMD::Units::energyString
private
double PLMD::Units::length
private

Units for length, expressed in nm (e.g. 0.1 means A)

std::string PLMD::Units::lengthString
private
double PLMD::Units::time
private

Units for time, expressed in ps (e.g. 0.001 means fs)

std::string PLMD::Units::timeString
private

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