#include <DataPassingObject.h>

Inheritance diagram for PLMD::DataPassingObject:

Public Member Functions
	DataPassingObject ()

virtual	~DataPassingObject ()
	Virtual destructor, just to allow inheritance. More...

virtual void	add_force (const std::vector< AtomNumber > &index, const std::vector< unsigned > &i, Value *value)=0

virtual void	add_force (const std::vector< int > &index, Value *value)=0

virtual void	add_force (Value *vv)=0
	Pass the force from the value to the output value. More...

virtual double	MD2double (const TypesafePtr &m) const =0
	Convert what comes from the MD code to a double. More...

virtual void	rescale_force (const unsigned &n, const double &factor, Value *value)=0
	Rescale the forces that were passed. More...

virtual void	saveValueAsDouble (const TypesafePtr &val)=0
	This is used when you want to save the passed object to a double variable in PLUMED rather than the pointer this can be used even when you don't pass a pointer from the MD code. More...

virtual void	setData (Value *value)=0
	This transfers everything to the output. More...

virtual void	setForcePointer (const TypesafePtr &val, const std::vector< unsigned > &shape)=0
	Set the pointer to the force. More...

void	setForceUnit (const double &u)
	Set the unit for the force. More...

void	setStart (const unsigned &s)

void	setStride (const unsigned &s)
	Set the stride to use when getting data from the input array. More...

void	setUnit (const double &u)
	Set the unit for the value. More...

virtual void	setValuePointer (const TypesafePtr &val, const std::vector< unsigned > &shape, const bool &isconst)=0
	Set the pointer to the value. More...

virtual void	share_data (const std::vector< AtomNumber > &index, const std::vector< unsigned > &i, Value *value)=0
	Share the data and put it in the value from a scattered data. More...

virtual void	share_data (const unsigned &j, const unsigned &k, Value *value)=0
	Share the data and put it in the value from sequential data. More...

virtual void	share_data (std::vector< double > &values) const =0
	This gets the data in the pointer and passes it to the output value. More...

Static Public Member Functions
static std::unique_ptr< DataPassingObject >	create (unsigned n)

Protected Attributes
double	bvalue

double	funit
	The units of the force on this quantity. More...

bool	hasbackup
	The backup value of the quantity (used if the value is passed directly) More...

unsigned	start
	The start of the data in the input pointer. More...

unsigned	stride
	The spacing between values in the input arrays. More...

double	unit
	The units of the quantity. More...

Constructor & Destructor Documentation

◆ DataPassingObject()

PLMD::DataPassingObject::DataPassingObject ( )

inlineexplicit

◆ ~DataPassingObject()

virtual PLMD::DataPassingObject::~DataPassingObject ( )

inlinevirtual

Virtual destructor, just to allow inheritance.

Member Function Documentation

◆ add_force() [1/3]

virtual void PLMD::DataPassingObject::add_force	(	const std::vector< AtomNumber > &	index,
		const std::vector< unsigned > &	i,
		Value *	value
	)

pure virtual

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ add_force() [2/3]

virtual void PLMD::DataPassingObject::add_force	(	const std::vector< int > &	index,
		Value *	value
	)

pure virtual

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ add_force() [3/3]

virtual void PLMD::DataPassingObject::add_force ( Value * vv )

pure virtual

Pass the force from the value to the output value.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ create()

std::unique_ptr< DataPassingObject > PLMD::DataPassingObject::create ( unsigned n )

static

◆ MD2double()

virtual double PLMD::DataPassingObject::MD2double ( const TypesafePtr & m ) const

pure virtual

Convert what comes from the MD code to a double.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ rescale_force()

virtual void PLMD::DataPassingObject::rescale_force	(	const unsigned &	n,
		const double &	factor,
		Value *	value
	)

pure virtual

Rescale the forces that were passed.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ saveValueAsDouble()

virtual void PLMD::DataPassingObject::saveValueAsDouble ( const TypesafePtr & val )

pure virtual

This is used when you want to save the passed object to a double variable in PLUMED rather than the pointer this can be used even when you don't pass a pointer from the MD code.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ setData()

virtual void PLMD::DataPassingObject::setData ( Value * value )

pure virtual

This transfers everything to the output.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ setForcePointer()

virtual void PLMD::DataPassingObject::setForcePointer	(	const TypesafePtr &	val,
		const std::vector< unsigned > &	shape
	)

pure virtual

Set the pointer to the force.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ setForceUnit()

void PLMD::DataPassingObject::setForceUnit ( const double & u )

inline

Set the unit for the force.

◆ setStart()

void PLMD::DataPassingObject::setStart ( const unsigned & s )

inline

◆ setStride()

void PLMD::DataPassingObject::setStride ( const unsigned & s )

inline

Set the stride to use when getting data from the input array.

◆ setUnit()

void PLMD::DataPassingObject::setUnit ( const double & u )

inline

Set the unit for the value.

◆ setValuePointer()

virtual void PLMD::DataPassingObject::setValuePointer	(	const TypesafePtr &	val,
		const std::vector< unsigned > &	shape,
		const bool &	isconst
	)

pure virtual

Set the pointer to the value.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ share_data() [1/3]

virtual void PLMD::DataPassingObject::share_data	(	const std::vector< AtomNumber > &	index,
		const std::vector< unsigned > &	i,
		Value *	value
	)

pure virtual

Share the data and put it in the value from a scattered data.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ share_data() [2/3]

virtual void PLMD::DataPassingObject::share_data	(	const unsigned &	j,
		const unsigned &	k,
		Value *	value
	)

pure virtual

Share the data and put it in the value from sequential data.

Implemented in PLMD::DataPassingObjectTyped< T >.

◆ share_data() [3/3]

virtual void PLMD::DataPassingObject::share_data ( std::vector< double > & values ) const

pure virtual

This gets the data in the pointer and passes it to the output value.

Implemented in PLMD::DataPassingObjectTyped< T >.

Member Data Documentation

◆ bvalue

double PLMD::DataPassingObject::bvalue

protected

◆ funit

double PLMD::DataPassingObject::funit

protected

The units of the force on this quantity.

◆ hasbackup

bool PLMD::DataPassingObject::hasbackup

protected

The backup value of the quantity (used if the value is passed directly)

◆ start

unsigned PLMD::DataPassingObject::start

protected

The start of the data in the input pointer.

◆ stride

unsigned PLMD::DataPassingObject::stride

protected

The spacing between values in the input arrays.

◆ unit

double PLMD::DataPassingObject::unit

protected

The units of the quantity.

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

core/DataPassingObject.h
core/DataPassingObject.cpp

Public Member Functions

Static Public Member Functions

Protected Attributes

Constructor & Destructor Documentation

◆ DataPassingObject()

◆ ~DataPassingObject()

Member Function Documentation

◆ add_force() [1/3]

◆ add_force() [2/3]

◆ add_force() [3/3]

◆ create()

◆ MD2double()

◆ rescale_force()

◆ saveValueAsDouble()

◆ setData()

◆ setForcePointer()

◆ setForceUnit()

◆ setStart()

◆ setStride()

◆ setUnit()

◆ setValuePointer()

◆ share_data() [1/3]

◆ share_data() [2/3]

◆ share_data() [3/3]

Member Data Documentation

◆ bvalue

◆ funit

◆ hasbackup

◆ start

◆ stride

◆ unit