Inheritance diagram for PLMD::mapping::SpathVessel:

Public Member Functions
	SpathVessel (const vesselbase::VesselOptions &da)

std::string	function_description ()
	The rest of the description of what we are calculating. More...

void	prepare ()
	Do something before the loop. More...

bool	calculate ()
	Calculate the part of the vessel that is done in the loop. More...

void	finish ()
	Complete the calculation once the loop is finished. More...

virtual void	resize ()
	This does the resizing of the buffer. More...

bool	applyForce (std::vector< double > &forces)
	This applies all the forces. More...

std::string	description ()
	The description for the log. More...

std::string	getName () const
	Return the name. More...

std::string	getLabel () const
	Return the label. More...

void	checkRead ()
	Check that readin was fine. More...

void	zero ()
	Set all the buffer elements to zero. More...

void	addToBufferElement (const unsigned &i, const double &val)
	Add something to the ith element in the buffer. More...

Static Public Member Functions
static void	registerKeywords (Keywords &keys)

static void	reserveKeyword (Keywords &keys)

static std::string	transformName (const std::string &name)
	Convert the name to the label of the component. More...

Public Attributes
Log &	log
	Reference to the log on which to output details. More...

Protected Member Functions
bool	addValueUsingTolerance (const unsigned &jval, const double &val)
	Add some value to the accumulator if it is greater than tolerance. More...

void	addValueIgnoringTolerance (const unsigned &jval, const double &val)
	Add some value to the accumulator and ignore the tolerance. More...

void	setOutputValue (const double &val)
	Set the final value. More...

double	getFinalValue (const unsigned &j)
	Get the nth value in the distribution. More...

void	mergeFinalDerivatives (const std::vector< double > &df)
	This does a combination of the product and chain rules. More...

void	setNumberOfDerivatives (const unsigned &nder)
	Resize the vector containing the derivatives. More...

void	addDerivativeToFinalValue (const unsigned &j, const double &der)
	Return a pointer to the final value. More...

int	getNumericalLabel () const
	Return the numerical label. More...

void	error (const std::string &errmsg)
	Report an error. More...

template<class T >
void	parse (const std::string &key, T &t)
	Parse something from the input. More...

template<class T >
void	parseVector (const std::string &key, std::vector< T > &t)
	Parse one keyword as std::vector. More...

void	parseFlag (const std::string &key, bool &t)
	Parse one keyword as boolean flag. More...

std::string	getAllInput ()
	This returns the whole input line (it is used for less_than/more_than/between) More...

ActionWithVessel *	getAction ()
	Return a pointer to the action we are working in. More...

double	getTolerance () const
	Return the value of the tolerance. More...

double	getNLTolerance () const
	Return the value of the neighbor list tolerance. More...

void	resizeBuffer (const unsigned &n)
	Set the size of the data buffer. More...

void	setBufferElement (const unsigned &i, const double &val)
	Set the value of the ith element in the buffer. More...

double	getBufferElement (const unsigned &i) const
	Get the value in the ith element of the buffer. More...

Protected Attributes
bool	diffweight
	Are the derivatives differentiable. More...

Communicator &	comm
	A copy of the communicator. More...

Private Attributes
bool	foundoneclose

unsigned	mycoordnumber

Mapping *	mymap

Constructor & Destructor Documentation

PLMD::mapping::SpathVessel::SpathVessel ( const vesselbase::VesselOptions & da )

Member Function Documentation

void PLMD::vesselbase::FunctionVessel::addDerivativeToFinalValue	(	const unsigned &	j,
		const double &	der
	)

inlineprotectedinherited

Return a pointer to the final value.

void PLMD::vesselbase::Vessel::addToBufferElement	(	const unsigned &	i,
		const double &	val
	)

inlineinherited

Add something to the ith element in the buffer.

void PLMD::vesselbase::FunctionVessel::addValueIgnoringTolerance	(	const unsigned &	jval,
		const double &	val
	)

inlineprotectedinherited

Add some value to the accumulator and ignore the tolerance.

bool PLMD::vesselbase::FunctionVessel::addValueUsingTolerance	(	const unsigned &	jval,
		const double &	val
	)

inlineprotectedinherited

Add some value to the accumulator if it is greater than tolerance.

bool PLMD::vesselbase::FunctionVessel::applyForce ( std::vector< double > & forces )

virtualinherited

This applies all the forces.

Implements PLMD::vesselbase::Vessel.

bool PLMD::mapping::SpathVessel::calculate ( )

virtual

Calculate the part of the vessel that is done in the loop.

Implements PLMD::vesselbase::Vessel.

void PLMD::vesselbase::Vessel::checkRead ( )

inherited

Check that readin was fine.

std::string PLMD::vesselbase::FunctionVessel::description ( )

virtualinherited

The description for the log.

Implements PLMD::vesselbase::Vessel.

void PLMD::vesselbase::Vessel::error ( const std::string & errmsg )

protectedinherited

Report an error.

void PLMD::mapping::SpathVessel::finish ( )

virtual

Complete the calculation once the loop is finished.

Implements PLMD::vesselbase::Vessel.

std::string PLMD::mapping::SpathVessel::function_description ( )

virtual

The rest of the description of what we are calculating.

Implements PLMD::vesselbase::FunctionVessel.

ActionWithVessel * PLMD::vesselbase::Vessel::getAction ( )

inlineprotectedinherited

Return a pointer to the action we are working in.

std::string PLMD::vesselbase::Vessel::getAllInput ( )

protectedinherited

This returns the whole input line (it is used for less_than/more_than/between)

double PLMD::vesselbase::Vessel::getBufferElement ( const unsigned & i ) const

inlineprotectedinherited

Get the value in the ith element of the buffer.

double PLMD::vesselbase::FunctionVessel::getFinalValue ( const unsigned & j )

inlineprotectedinherited

Get the nth value in the distribution.

std::string PLMD::vesselbase::Vessel::getLabel ( ) const

inherited

Return the label.

std::string PLMD::vesselbase::Vessel::getName ( ) const

inherited

Return the name.

double PLMD::vesselbase::Vessel::getNLTolerance ( ) const

inlineprotectedinherited

Return the value of the neighbor list tolerance.

int PLMD::vesselbase::Vessel::getNumericalLabel ( ) const

inlineprotectedinherited

Return the numerical label.

double PLMD::vesselbase::Vessel::getTolerance ( ) const

inlineprotectedinherited

Return the value of the tolerance.

void PLMD::vesselbase::FunctionVessel::mergeFinalDerivatives ( const std::vector< double > & df )

protectedinherited

This does a combination of the product and chain rules.

template<class T >

void PLMD::vesselbase::Vessel::parse	(	const std::string &	key,
		T &	t
	)

protectedinherited

Parse something from the input.

void PLMD::vesselbase::Vessel::parseFlag	(	const std::string &	key,
		bool &	t
	)

protectedinherited

Parse one keyword as boolean flag.

template<class T >

void PLMD::vesselbase::Vessel::parseVector	(	const std::string &	key,
		std::vector< T > &	t
	)

protectedinherited

Parse one keyword as std::vector.

void PLMD::mapping::SpathVessel::prepare ( )

virtual

Do something before the loop.

Reimplemented from PLMD::vesselbase::Vessel.

void PLMD::mapping::SpathVessel::registerKeywords ( Keywords & keys )

static

void PLMD::mapping::SpathVessel::reserveKeyword ( Keywords & keys )

static

void PLMD::vesselbase::FunctionVessel::resize ( )

virtualinherited

This does the resizing of the buffer.

Implements PLMD::vesselbase::Vessel.

Reimplemented in PLMD::crystallization::VectorMean.

void PLMD::vesselbase::Vessel::resizeBuffer ( const unsigned & n )

inlineprotectedinherited

Set the size of the data buffer.

void PLMD::vesselbase::Vessel::setBufferElement	(	const unsigned &	i,
		const double &	val
	)

inlineprotectedinherited

Set the value of the ith element in the buffer.

void PLMD::vesselbase::FunctionVessel::setNumberOfDerivatives ( const unsigned & nder )

protectedinherited

Resize the vector containing the derivatives.

void PLMD::vesselbase::FunctionVessel::setOutputValue ( const double & val )

inlineprotectedinherited

Set the final value.

std::string PLMD::vesselbase::Vessel::transformName ( const std::string & name )

staticinherited

Convert the name to the label of the component.

void PLMD::vesselbase::Vessel::zero ( )

inlineinherited

Set all the buffer elements to zero.

Member Data Documentation

Communicator& PLMD::vesselbase::Vessel::comm

protectedinherited

A copy of the communicator.

bool PLMD::vesselbase::FunctionVessel::diffweight

protectedinherited

Are the derivatives differentiable.

bool PLMD::mapping::SpathVessel::foundoneclose

private

Log& PLMD::vesselbase::Vessel::log

inherited

Reference to the log on which to output details.

unsigned PLMD::mapping::SpathVessel::mycoordnumber

private

Mapping* PLMD::mapping::SpathVessel::mymap

private

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

mapping/SpathVessel.cpp

Public Member Functions

Static Public Member Functions

Public Attributes

Protected Member Functions

Protected Attributes

Private Attributes

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation