Public Member Functions | Static Public Member Functions | Protected Member Functions | Protected Attributes | Private Attributes | List of all members
PLMD::vesselbase::AveragingVessel Class Referenceabstract

#include <AveragingVessel.h>

Inheritance diagram for PLMD::vesselbase::AveragingVessel:
Inheritance graph
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Public Member Functions

 AveragingVessel (const vesselbase::VesselOptions &)
 Constructor. More...
 
bool applyForce (std::vector< double > &forces) override
 Retrieve the forces on the quantities in the vessel. More...
 
virtual void calculate (const unsigned &current, MultiValue &myvals, std::vector< double > &buffer, std::vector< unsigned > &der_list) const =0
 Calculate the part of the vessel that is done in the loop. More...
 
void checkRead ()
 Check that readin was fine. More...
 
virtual void clear ()
 Clear all the data stored on the grid. More...
 
virtual std::string description ()=0
 Return a description of the vessel contents. More...
 
void finish (const std::vector< double > &) override
 Copy data from an accumulated buffer into the grid. More...
 
std::string getLabel () const
 Return the label. More...
 
std::string getName () const
 Return the name. More...
 
double getNorm () const
 
virtual void prepare ()
 Do something before the loop. More...
 
virtual void reset ()
 Reset the grid so that it is cleared at start of next time it is calculated. More...
 
virtual void resize ()=0
 Reset the size of the buffers. More...
 
virtual void setBufferStart (unsigned &start)
 Set the start of the buffer. More...
 
void setNorm (const double &snorm)
 Functions for dealing with normalisation constant. More...
 
virtual MultiValuetransformDerivatives (const unsigned &current, MultiValue &myvals, MultiValue &bvals)
 This is replaced in bridges so we can transform the derivatives. More...
 
bool wasreset () const
 Was the grid cleared on the last step. More...
 

Static Public Member Functions

static void registerKeywords (Keywords &keys)
 keywords More...
 
static std::string transformName (const std::string &name)
 Convert the name to the label of the component. More...
 

Protected Member Functions

void addDataElement (const unsigned &myelem, const double &value)
 Add some value to an element of the data array. More...
 
void error (const std::string &errmsg)
 Report an error. More...
 
ActionWithVesselgetAction () const
 Return a pointer to the action we are working in. More...
 
std::string getAllInput ()
 This returns the whole input line (it is used for less_than/more_than/between) More...
 
double getDataElement (const unsigned &myelem) const
 Get the value of one of the data element. More...
 
double getNLTolerance () const
 Return the value of the neighbor list tolerance. More...
 
int getNumericalLabel () const
 Return the numerical label. More...
 
unsigned getSizeOfBuffer () const
 Return the size of the buffer. More...
 
double getTolerance () const
 Return the value of the tolerance. More...
 
bool noAverage () const
 Are we averaging the data. More...
 
template<class T >
void parse (const std::string &key, T &t)
 Parse something from the input. More...
 
void parseFlag (const std::string &key, bool &t)
 Parse one keyword as boolean flag. More...
 
template<class T >
void parseVector (const std::string &key, std::vector< T > &t)
 Parse one keyword as std::vector. More...
 
void resizeBuffer (const unsigned &n)
 Set the size of the data buffer. More...
 
void setDataElement (const unsigned &myelem, const double &value)
 Set an element of the data array. More...
 
void setDataSize (const unsigned &size)
 Set the size of the data vector. More...
 

Protected Attributes

unsigned bufstart
 The start of this Vessel's buffer in buffer in the underlying ActionWithVessel. More...
 

Private Attributes

std::vector< double > data
 The data that is being averaged. More...
 
bool unormalised
 Are we outputting unormalised data. More...
 
bool wascleared
 The grid was recently cleared and bounds can be set. More...
 

Constructor & Destructor Documentation

◆ AveragingVessel()

PLMD::vesselbase::AveragingVessel::AveragingVessel ( const vesselbase::VesselOptions vo)
explicit

Constructor.

Member Function Documentation

◆ addDataElement()

void PLMD::vesselbase::AveragingVessel::addDataElement ( const unsigned &  myelem,
const double &  value 
)
inlineprotected

Add some value to an element of the data array.

◆ applyForce()

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

Retrieve the forces on the quantities in the vessel.

Implements PLMD::vesselbase::Vessel.

◆ calculate()

virtual void PLMD::vesselbase::Vessel::calculate ( const unsigned &  current,
MultiValue myvals,
std::vector< double > &  buffer,
std::vector< unsigned > &  der_list 
) const
pure virtualinherited

◆ checkRead()

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

Check that readin was fine.

◆ clear()

void PLMD::vesselbase::AveragingVessel::clear ( )
virtual

Clear all the data stored on the grid.

◆ description()

virtual std::string PLMD::vesselbase::Vessel::description ( )
pure virtualinherited

◆ error()

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

Report an error.

◆ finish()

void PLMD::vesselbase::AveragingVessel::finish ( const std::vector< double > &  buffer)
overridevirtual

Copy data from an accumulated buffer into the grid.

Implements PLMD::vesselbase::Vessel.

◆ getAction()

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

Return a pointer to the action we are working in.

◆ getAllInput()

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

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

◆ getDataElement()

double PLMD::vesselbase::AveragingVessel::getDataElement ( const unsigned &  myelem) const
inlineprotected

Get the value of one of the data element.

◆ getLabel()

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

Return the label.

◆ getName()

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

Return the name.

◆ getNLTolerance()

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

Return the value of the neighbor list tolerance.

◆ getNorm()

double PLMD::vesselbase::AveragingVessel::getNorm ( ) const
inline

◆ getNumericalLabel()

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

Return the numerical label.

◆ getSizeOfBuffer()

unsigned PLMD::vesselbase::Vessel::getSizeOfBuffer ( ) const
inlineprotectedinherited

Return the size of the buffer.

◆ getTolerance()

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

Return the value of the tolerance.

◆ noAverage()

bool PLMD::vesselbase::AveragingVessel::noAverage ( ) const
inlineprotected

Are we averaging the data.

◆ parse()

template<class T >
void PLMD::vesselbase::Vessel::parse ( const std::string &  key,
T &  t 
)
protectedinherited

Parse something from the input.

◆ parseFlag()

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

Parse one keyword as boolean flag.

◆ parseVector()

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

Parse one keyword as std::vector.

◆ prepare()

virtual void PLMD::vesselbase::Vessel::prepare ( )
inlinevirtualinherited

Do something before the loop.

Reimplemented in PLMD::vesselbase::BridgeVessel, and PLMD::mapping::SpathVessel.

◆ registerKeywords()

void PLMD::vesselbase::AveragingVessel::registerKeywords ( Keywords keys)
static

keywords

◆ reset()

void PLMD::vesselbase::AveragingVessel::reset ( )
virtual

Reset the grid so that it is cleared at start of next time it is calculated.

◆ resize()

virtual void PLMD::vesselbase::Vessel::resize ( )
pure virtualinherited

◆ resizeBuffer()

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

Set the size of the data buffer.

◆ setBufferStart()

void PLMD::vesselbase::Vessel::setBufferStart ( unsigned &  start)
inlinevirtualinherited

Set the start of the buffer.

Reimplemented in PLMD::vesselbase::BridgeVessel.

◆ setDataElement()

void PLMD::vesselbase::AveragingVessel::setDataElement ( const unsigned &  myelem,
const double &  value 
)
inlineprotected

Set an element of the data array.

◆ setDataSize()

void PLMD::vesselbase::AveragingVessel::setDataSize ( const unsigned &  size)
protected

Set the size of the data vector.

◆ setNorm()

void PLMD::vesselbase::AveragingVessel::setNorm ( const double &  snorm)
inline

Functions for dealing with normalisation constant.

◆ transformDerivatives()

MultiValue & PLMD::vesselbase::Vessel::transformDerivatives ( const unsigned &  current,
MultiValue myvals,
MultiValue bvals 
)
inlinevirtualinherited

This is replaced in bridges so we can transform the derivatives.

Reimplemented in PLMD::vesselbase::BridgeVessel.

◆ transformName()

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

Convert the name to the label of the component.

◆ wasreset()

bool PLMD::vesselbase::AveragingVessel::wasreset ( ) const

Was the grid cleared on the last step.

Member Data Documentation

◆ bufstart

unsigned PLMD::vesselbase::Vessel::bufstart
protectedinherited

The start of this Vessel's buffer in buffer in the underlying ActionWithVessel.

◆ data

std::vector<double> PLMD::vesselbase::AveragingVessel::data
private

The data that is being averaged.

◆ unormalised

bool PLMD::vesselbase::AveragingVessel::unormalised
private

Are we outputting unormalised data.

◆ wascleared

bool PLMD::vesselbase::AveragingVessel::wascleared
private

The grid was recently cleared and bounds can be set.


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