Inheritance diagram for PLMD::DataPassingObjectTyped< T >:

Public Member Functions
void	add_force (const std::vector< AtomNumber > &index, const std::vector< unsigned > &i, Value *value) override

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

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

double	MD2double (const TypesafePtr &) const override
	This convers a number from the MD code into a double. More...

void	rescale_force (const unsigned &n, const double &factor, Value *value) override
	Rescale the force on the output value. More...

void	saveValueAsDouble (const TypesafePtr &val) override
	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...

void	setData (Value *value) override
	This transfers everything to the output. More...

void	setForcePointer (const TypesafePtr &p, const std::vector< unsigned > &shape) override
	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...

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

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

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

void	share_data (std::vector< double > &values) const override
	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...

Private Attributes
TypesafePtr	f
	A pointer to the force. More...

TypesafePtr	v
	A pointer to the value. More...

Member Function Documentation

◆ add_force() [1/3]

template<class T >

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

overridevirtual

Implements PLMD::DataPassingObject.

◆ add_force() [2/3]

template<class T >

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

overridevirtual

Implements PLMD::DataPassingObject.

◆ add_force() [3/3]

template<class T >

void PLMD::DataPassingObjectTyped< T >::add_force ( Value * vv )

overridevirtual

Pass the force from the value to the output value.

Implements PLMD::DataPassingObject.

◆ create()

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

staticinherited

◆ MD2double()

template<class T >

double PLMD::DataPassingObjectTyped< T >::MD2double ( const TypesafePtr & m ) const

overridevirtual

This convers a number from the MD code into a double.

Implements PLMD::DataPassingObject.

◆ rescale_force()

template<class T >

void PLMD::DataPassingObjectTyped< T >::rescale_force	(	const unsigned &	n,
		const double &	factor,
		Value *	value
	)

overridevirtual

Rescale the force on the output value.

Implements PLMD::DataPassingObject.

◆ saveValueAsDouble()

template<class T >

void PLMD::DataPassingObjectTyped< T >::saveValueAsDouble ( const TypesafePtr & val )

overridevirtual

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.

Implements PLMD::DataPassingObject.

◆ setData()

template<class T >

void PLMD::DataPassingObjectTyped< T >::setData ( Value * value )

overridevirtual

This transfers everything to the output.

Implements PLMD::DataPassingObject.

◆ setForcePointer()

template<class T >

void PLMD::DataPassingObjectTyped< T >::setForcePointer	(	const TypesafePtr &	p,
		const std::vector< unsigned > &	shape
	)

overridevirtual

Set the pointer to the force.

Implements PLMD::DataPassingObject.

◆ setForceUnit()

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

inlineinherited

Set the unit for the force.

◆ setStart()

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

inlineinherited

◆ setStride()

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

inlineinherited

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

◆ setUnit()

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

inlineinherited

Set the unit for the value.

◆ setValuePointer()

template<class T >

void PLMD::DataPassingObjectTyped< T >::setValuePointer	(	const TypesafePtr &	p,
		const std::vector< unsigned > &	shape,
		const bool &	isconst
	)

overridevirtual

Set the pointer to the value.

Implements PLMD::DataPassingObject.

◆ share_data() [1/3]

template<class T >

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

overridevirtual

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

Implements PLMD::DataPassingObject.

◆ share_data() [2/3]

template<class T >

void PLMD::DataPassingObjectTyped< T >::share_data	(	const unsigned &	j,
		const unsigned &	k,
		Value *	value
	)

overridevirtual

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

Implements PLMD::DataPassingObject.

◆ share_data() [3/3]

template<class T >

void PLMD::DataPassingObjectTyped< T >::share_data ( std::vector< double > & values ) const

overridevirtual

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

Implements PLMD::DataPassingObject.

Member Data Documentation

◆ bvalue

double PLMD::DataPassingObject::bvalue

protectedinherited

◆ f

template<class T >

TypesafePtr PLMD::DataPassingObjectTyped< T >::f

private

A pointer to the force.

◆ funit

double PLMD::DataPassingObject::funit

protectedinherited

The units of the force on this quantity.

◆ hasbackup

bool PLMD::DataPassingObject::hasbackup

protectedinherited

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

◆ start

unsigned PLMD::DataPassingObject::start

protectedinherited

The start of the data in the input pointer.

◆ stride

unsigned PLMD::DataPassingObject::stride

protectedinherited

The spacing between values in the input arrays.

◆ unit

double PLMD::DataPassingObject::unit

protectedinherited

The units of the quantity.

◆ v

template<class T >

TypesafePtr PLMD::DataPassingObjectTyped< T >::v

private

A pointer to the value.

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

core/DataPassingObject.cpp

Public Member Functions

Static Public Member Functions

Protected Attributes

Private Attributes

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

◆ f

◆ funit

◆ hasbackup

◆ start

◆ stride

◆ unit

◆ v