PLUMED: PLMD::function::FunctionTemplateBase Class Reference

#include <FunctionTemplateBase.h>

Inheritance diagram for PLMD::function::FunctionTemplateBase:

Inheritance graph

[legend]

Public Member Functions
bool	allComponentsRequired (const std::vector< Value * > &args, const std::vector< ActionWithVector * > &actions)

virtual void	calc (const ActionWithArguments *action, const std::vector< double > &args, std::vector< double > &vals, Matrix< double > &derivatives) const =0

virtual bool	derivativesImplemented ()
	Override this function if you have not implemented the derivatives. More...

virtual bool	doWithTasks () const

virtual unsigned	getArgStart () const

virtual std::vector< Value * >	getArgumentsToCheck (const std::vector< Value * > &args)

virtual std::vector< std::string >	getComponentsPerLabel () const

virtual bool	getDerivativeZeroIfValueIsZero () const

virtual std::string	getGraphInfo (const std::string &lab) const

virtual void	read (ActionWithArguments *action)=0

virtual void	registerKeywords (Keywords &keys)=0

virtual void	setPeriodicityForOutputs (ActionWithValue *action)

virtual void	setPrefactor (ActionWithArguments *action, const double pref)

virtual void	setup (ActionWithValue *action)

virtual bool	zeroRank () const

Protected Member Functions
template<class T >
void	parse (Action *action, const std::string &key, T &t)
	Parse a keyword from the input as a value. More...

void	parseFlag (Action *action, const std::string &key, bool &t)
	Parse a keyword from the input as a flag. More...

template<class T >
void	parseVector (Action *action, const std::string &key, std::vector< T > &t)
	Parse a keyword from the input as a vector. More...

Protected Attributes
bool	noderiv = false
	Are we using derivatives. More...

Member Function Documentation

◆ allComponentsRequired()

bool PLMD::function::FunctionTemplateBase::allComponentsRequired	(	const std::vector< Value * > &	args,
		const std::vector< ActionWithVector * > &	actions
	)

inline

◆ calc()

virtual void PLMD::function::FunctionTemplateBase::calc	(	const ActionWithArguments *	action,
		const std::vector< double > &	args,
		std::vector< double > &	vals,
		Matrix< double > &	derivatives
	)		const

pure virtual

Implemented in PLMD::symfunc::Fccubic, PLMD::function::Highest, PLMD::function::Sort, PLMD::function::Piecewise, PLMD::function::Bessel, PLMD::function::Moments, PLMD::refdist::Difference, PLMD::symfunc::SphericalHarmonic, PLMD::symfunc::CylindricalHarmonic, PLMD::gridtools::EvaluateGridFunction, PLMD::function::Custom, PLMD::function::Combine, PLMD::function::LessThan, PLMD::function::MoreThan, PLMD::function::Sum, and PLMD::function::Between.

◆ derivativesImplemented()

virtual bool PLMD::function::FunctionTemplateBase::derivativesImplemented ( )

inlinevirtual

Override this function if you have not implemented the derivatives.

Reimplemented in PLMD::function::Bessel.

◆ doWithTasks()

virtual bool PLMD::function::FunctionTemplateBase::doWithTasks ( ) const

inlinevirtual

Reimplemented in PLMD::function::Highest, PLMD::function::Sort, and PLMD::function::Moments.

◆ getArgStart()

virtual unsigned PLMD::function::FunctionTemplateBase::getArgStart ( ) const

inlinevirtual

Reimplemented in PLMD::gridtools::EvaluateGridFunction.

◆ getArgumentsToCheck()

std::vector< Value * > PLMD::function::FunctionTemplateBase::getArgumentsToCheck ( const std::vector< Value * > & args )

inlinevirtual

Reimplemented in PLMD::function::Custom.

◆ getComponentsPerLabel()

std::vector< std::string > PLMD::function::FunctionTemplateBase::getComponentsPerLabel ( ) const

inlinevirtual

Reimplemented in PLMD::function::Sort, PLMD::function::Moments, and PLMD::symfunc::SphericalHarmonic.

◆ getDerivativeZeroIfValueIsZero()

virtual bool PLMD::function::FunctionTemplateBase::getDerivativeZeroIfValueIsZero ( ) const

inlinevirtual

Reimplemented in PLMD::function::Custom, PLMD::function::LessThan, PLMD::function::MoreThan, and PLMD::function::Between.

◆ getGraphInfo()

std::string PLMD::function::FunctionTemplateBase::getGraphInfo ( const std::string & lab ) const

inlinevirtual

Reimplemented in PLMD::function::Custom.

◆ parse()

template<class T >

void PLMD::function::FunctionTemplateBase::parse	(	Action *	action,
		const std::string &	key,
		T &	t
	)

protected

Parse a keyword from the input as a value.

◆ parseFlag()

void PLMD::function::FunctionTemplateBase::parseFlag	(	Action *	action,
		const std::string &	key,
		bool &	t
	)

inlineprotected

Parse a keyword from the input as a flag.

◆ parseVector()

template<class T >

void PLMD::function::FunctionTemplateBase::parseVector	(	Action *	action,
		const std::string &	key,
		std::vector< T > &	t
	)

protected

Parse a keyword from the input as a vector.

◆ read()

virtual void PLMD::function::FunctionTemplateBase::read ( ActionWithArguments * action )

pure virtual

Implemented in PLMD::symfunc::Fccubic, PLMD::function::Highest, PLMD::function::Piecewise, PLMD::function::Sort, PLMD::function::Bessel, PLMD::refdist::Difference, PLMD::function::Moments, PLMD::symfunc::SphericalHarmonic, PLMD::symfunc::CylindricalHarmonic, PLMD::gridtools::EvaluateGridFunction, PLMD::function::Custom, PLMD::function::Combine, PLMD::function::LessThan, PLMD::function::MoreThan, PLMD::function::Between, and PLMD::function::Sum.

◆ registerKeywords()

virtual void PLMD::function::FunctionTemplateBase::registerKeywords ( Keywords & keys )

pure virtual

Implemented in PLMD::symfunc::Fccubic, PLMD::function::Highest, PLMD::function::Piecewise, PLMD::function::Sort, PLMD::function::Bessel, PLMD::refdist::Difference, PLMD::function::Moments, PLMD::symfunc::SphericalHarmonic, PLMD::symfunc::CylindricalHarmonic, PLMD::gridtools::EvaluateGridFunction, PLMD::function::Custom, PLMD::function::Combine, PLMD::function::LessThan, PLMD::function::MoreThan, PLMD::function::Between, and PLMD::function::Sum.

◆ setPeriodicityForOutputs()

void PLMD::function::FunctionTemplateBase::setPeriodicityForOutputs ( ActionWithValue * action )

inlinevirtual

Reimplemented in PLMD::function::Sort, PLMD::function::Piecewise, PLMD::function::Moments, PLMD::refdist::Difference, PLMD::symfunc::SphericalHarmonic, and PLMD::symfunc::CylindricalHarmonic.

◆ setPrefactor()

virtual void PLMD::function::FunctionTemplateBase::setPrefactor	(	ActionWithArguments *	action,
		const double	pref
	)

inlinevirtual

Reimplemented in PLMD::function::Sum.

◆ setup()

void PLMD::function::FunctionTemplateBase::setup ( ActionWithValue * action )

inlinevirtual

Reimplemented in PLMD::gridtools::EvaluateGridFunction.

◆ zeroRank()

virtual bool PLMD::function::FunctionTemplateBase::zeroRank ( ) const

inlinevirtual

Reimplemented in PLMD::function::Highest, PLMD::function::Sort, PLMD::function::Moments, and PLMD::function::Sum.

Member Data Documentation

◆ noderiv

bool PLMD::function::FunctionTemplateBase::noderiv = false

protected

Are we using derivatives.

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

function/FunctionTemplateBase.h