mpqc::UnitFactory Class Reference

Documentation

UnitFactory produces Unit objects that refer to a particular system of fundamental constants. UnitFactory is a helper class to ensure that all unit conversions are consistent, i.e. refer to the same system of fundamental constants. Since fundamental constants are updated every few years, it is mandatory to use UnitFactory to produce Unit objects, rather than create them directly. Since typically only 1 UnitFactory needs to be used in the entire program, the UnitFactory should be used as a singleton:

int main() {
  UnitFactory::set_default("CODATA2010");  // set the 2010 CODATA revision as default
  ...
  auto angstrom = UnitFactory::get_default().make_unit("angstrom");
 
}

Public Member Functions

UnitFactory (std::string system)

~UnitFactory ()

const std::string & system () const

std::shared_ptr< const detail::FundamentalConstants< double > > constants () const

const char * description () const

Unit make_unit (const std::string &unit_str) const

Static Public Member Functions

static std::shared_ptr< const UnitFactory > get_default ()

static void set_default (const std::string &system)

Constructor & Destructor Documentation

UnitFactory()

mpqc::UnitFactory::UnitFactory

(

std::string

system

)

Creates a UnitFactory object corresponding to the given fundamental constants system.

Parameters

system

specifies the fundamental constants system, the allowed values are: "2018CODATA" : the 2018 revision of the fundamental constants "2014CODATA" : the 2014 revision of the fundamental constants (see DOI 10.1103/RevModPhys.88.035009 ) "2010CODATA" : the 2010 revision of the fundamental constants (see DOI 10.1103/RevModPhys.84.1527 ) "2006CODATA" : the 2006 revision of the fundamental constants (see DOI 10.1103/RevModPhys.80.633 ) (the default of Gaussian09) "MPQC2" : the values of constants used by MPQC version 2.3

The default is currently "2018CODATA", and may be revised in the future.

~UnitFactory()

mpqc::UnitFactory::~UnitFactory ( )

inline

Member Function Documentation

constants()

std::shared_ptr<const detail::FundamentalConstants<double> > mpqc::UnitFactory::constants ( ) const

inline

Returns

a shared_ptr to the fundamental constants system object

description()

const char* mpqc::UnitFactory::description ( ) const

inline

Returns

the description of the fundamental constants system

get_default()

std::shared_ptr< const UnitFactory > mpqc::UnitFactory::get_default ( )

static

Returns

the singleton UnitFactory object (default initialized with 2018CODATA fundamental constants)

make_unit()

Unit mpqc::UnitFactory::make_unit

(

const std::string &

unit_str

)

const

makes a Unit object from a given string specification, using the system of fundamental constants specified by this factory.

Parameters

unit_str

the string specification of the desired Unit. See The Units Library section.

Returns

the Unit object

set_default()

void mpqc::UnitFactory::set_default ( const std::string &  system )

static

sets the singleton UnitFactory object

Parameters

system

specifies the fundamental constants system, must be acceptable as the input to UnitFactory::UnitFactory() ctor

system()

const std::string& mpqc::UnitFactory::system ( ) const

inline

Returns

the name of the fundamental constants system

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

• mpqc/chemistry/units/units.h
• mpqc/chemistry/units/units.cpp