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.

Definition at line 41 of file Units.h.

Constructor & Destructor Documentation

PLMD::Units::Units

(

)

Constructor, setting default values (1.0)

Definition at line 29 of file Units.cpp.

Member Function Documentation

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

inline

Get energy units as double.

Definition at line 90 of file Units.h.

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

inline

Get energy units as string.

Definition at line 105 of file Units.h.

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

inline

Get length units as double.

Definition at line 95 of file Units.h.

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

inline

Get length units as string.

Definition at line 110 of file Units.h.

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

inline

Get time units as double.

Definition at line 100 of file Units.h.

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

inline

Get time units as string.

Definition at line 115 of file Units.h.

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.

Definition at line 39 of file Units.cpp.

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)

Definition at line 89 of file Units.cpp.

void PLMD::Units::setLength

(

const std::string &

s

)

Set lengh units from string.

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

Definition at line 57 of file Units.cpp.

void PLMD::Units::setLength

(

double

s

)

Set lenght units from double.

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

Definition at line 94 of file Units.cpp.

void PLMD::Units::setTime

(

const std::string &

s

)

Set time units from string.

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

Definition at line 73 of file Units.cpp.

void PLMD::Units::setTime

(

double

s

)

Set time units from double.

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

Definition at line 99 of file Units.cpp.

Member Data Documentation

double PLMD::Units::energy

private

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

Definition at line 43 of file Units.h.

std::string PLMD::Units::energyString

private

Definition at line 44 of file Units.h.

double PLMD::Units::length

private

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

Definition at line 46 of file Units.h.

std::string PLMD::Units::lengthString

private

Definition at line 47 of file Units.h.

double PLMD::Units::time

private

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

Definition at line 49 of file Units.h.

std::string PLMD::Units::timeString

private

Definition at line 50 of file Units.h.

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

• tools/Units.h
• tools/Units.cpp