Full subspace. More...

#include <IXSpace.h>

Detailed Description

template<class RT, class QT, class PT>
class molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >

Full subspace.

Public Types
using	R = RT

using	Q = QT

using	P = PT

using	value_type = typename array::ArrayHandler< R, R >::value_type

using	value_type_abs = typename array::ArrayHandler< R, R >::value_type_abs

Public Member Functions
	IXSpace ()=default

virtual	~IXSpace ()=default

size_t	size () const
	Number of vectors forming the subspace.

virtual void	erase (size_t i)=0
	Removes parameter i from the full subspace.

virtual void	eraseq (size_t i)=0
	Removes parameter i from Q subspace.

virtual void	erasep (size_t i)=0
	Removes parameter i from P subspace.

virtual void	erased (size_t i)=0
	Removes parameter i from D subspace.

virtual void	update_pspace (const CVecRef< P > &params, const array::Span< value_type > &pp_action_matrix, const array::Span< value_type > &pp_metric_matrix={})=0
	Adds parameters to the P space.

virtual void	set_metric (MetricKind kind, MetricStorage storage=MetricStorage::Stored)=0
	Declares the metric of the subspace. Anything other than MetricKind::Identity creates the metric matrix EqnData::M. Only possible while the subspace is empty, unless it does not change anything.

virtual MetricKind	metric_kind () const =0
	The kind of metric declared with set_metric()

virtual MetricStorage	metric_storage () const =0
	How the actions of the metric declared with set_metric() are obtained.

bool	stores_metric_actions () const
	Whether the actions of the metric on the Q and D vectors are kept.

virtual void	update_qspace (const CVecRef< R > &params, const CVecRef< R > &actions, const CVecRef< R > &metric_actions={})=0
	Adds parameters to the Q space.

virtual void	update_dspace (VecRef< Q > &params, VecRef< Q > &actions, const VecRef< Q > &metric_actions={}, const std::vector< size_t > &q_delete={}, const Matrix< value_type > &coefficients={})=0
	Replaces the old D space and the Q vectors q_delete by new D vectors, which are linear combinations of them.

virtual VecRef< P >	paramsp ()=0

virtual VecRef< Q >	paramsq ()=0

virtual VecRef< Q >	actionsq ()=0

virtual VecRef< Q >	paramsd ()=0

virtual VecRef< Q >	actionsd ()=0

virtual CVecRef< P >	paramsp () const =0

virtual CVecRef< Q >	paramsq () const =0

virtual CVecRef< Q >	actionsq () const =0

virtual CVecRef< Q >	paramsd () const =0

virtual CVecRef< Q >	actionsd () const =0

virtual CVecRef< P >	cparamsp () const =0

virtual CVecRef< Q >	cparamsq () const =0

virtual CVecRef< Q >	cactionsq () const =0

virtual CVecRef< Q >	cparamsd () const =0

virtual CVecRef< Q >	cactionsd () const =0

virtual CVecRef< Q >	cmetric_actionsq () const =0
	Actions of the metric on the Q space parameters, empty unless there is a metric.

virtual CVecRef< Q >	cmetric_actionsd () const =0
	Actions of the metric on the D space parameters, empty unless there is a metric.

virtual const Dimensions &	dimensions () const =0

virtual void	set_logger (std::shared_ptr< Logger > logger)=0

Public Attributes
SubspaceData< value_type >	data
	Equation data in the subspace.

Member Typedef Documentation

◆ P

template<class RT , class QT , class PT >

using molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::P = PT

◆ Q

template<class RT , class QT , class PT >

using molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::Q = QT

◆ R

template<class RT , class QT , class PT >

using molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::R = RT

◆ value_type

template<class RT , class QT , class PT >

using molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::value_type = typename array::ArrayHandler<R, R>::value_type

◆ value_type_abs

template<class RT , class QT , class PT >

using molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::value_type_abs = typename array::ArrayHandler<R, R>::value_type_abs

Constructor & Destructor Documentation

◆ IXSpace()

template<class RT , class QT , class PT >

molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::IXSpace ( )

default

◆ ~IXSpace()

template<class RT , class QT , class PT >

virtual molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::~IXSpace ( )

virtualdefault

Member Function Documentation

◆ actionsd() [1/2]

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::actionsd ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ actionsd() [2/2]

template<class RT , class QT , class PT >

virtual VecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::actionsd ( )

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ actionsq() [1/2]

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::actionsq ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ actionsq() [2/2]

template<class RT , class QT , class PT >

virtual VecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::actionsq ( )

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ cactionsd()

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::cactionsd ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ cactionsq()

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::cactionsq ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ cmetric_actionsd()

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::cmetric_actionsd ( ) const

pure virtual

Actions of the metric on the D space parameters, empty unless there is a metric.

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ cmetric_actionsq()

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::cmetric_actionsq ( ) const

pure virtual

Actions of the metric on the Q space parameters, empty unless there is a metric.

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ cparamsd()

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::cparamsd ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ cparamsp()

template<class RT , class QT , class PT >

virtual CVecRef< P > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::cparamsp ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ cparamsq()

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::cparamsq ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ dimensions()

template<class RT , class QT , class PT >

virtual const Dimensions & molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::dimensions ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ erase()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::erase ( size_t i )

pure virtual

Removes parameter i from the full subspace.

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ erased()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::erased ( size_t i )

pure virtual

Removes parameter i from D subspace.

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ erasep()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::erasep ( size_t i )

pure virtual

Removes parameter i from P subspace.

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ eraseq()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::eraseq ( size_t i )

pure virtual

Removes parameter i from Q subspace.

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ metric_kind()

template<class RT , class QT , class PT >

virtual MetricKind molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::metric_kind ( ) const

pure virtual

The kind of metric declared with set_metric()

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ metric_storage()

template<class RT , class QT , class PT >

virtual MetricStorage molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::metric_storage ( ) const

pure virtual

How the actions of the metric declared with set_metric() are obtained.

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ paramsd() [1/2]

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::paramsd ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ paramsd() [2/2]

template<class RT , class QT , class PT >

virtual VecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::paramsd ( )

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ paramsp() [1/2]

template<class RT , class QT , class PT >

virtual CVecRef< P > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::paramsp ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ paramsp() [2/2]

template<class RT , class QT , class PT >

virtual VecRef< P > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::paramsp ( )

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ paramsq() [1/2]

template<class RT , class QT , class PT >

virtual CVecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::paramsq ( ) const

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ paramsq() [2/2]

template<class RT , class QT , class PT >

virtual VecRef< Q > molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::paramsq ( )

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ set_logger()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::set_logger ( std::shared_ptr< Logger > logger )

pure virtual

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ set_metric()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::set_metric	(	MetricKind	kind,
		MetricStorage	storage = `MetricStorage::Stored`
	)

pure virtual

Declares the metric of the subspace. Anything other than MetricKind::Identity creates the metric matrix EqnData::M. Only possible while the subspace is empty, unless it does not change anything.

Parameters

kind	the kind of metric
storage	whether the actions of the metric on the Q and D vectors are kept

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ size()

template<class RT , class QT , class PT >

size_t molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::size ( ) const

inline

Number of vectors forming the subspace.

◆ stores_metric_actions()

template<class RT , class QT , class PT >

bool molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::stores_metric_actions ( ) const

inline

Whether the actions of the metric on the Q and D vectors are kept.

◆ update_dspace()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::update_dspace	(	VecRef< Q > &	params,
		VecRef< Q > &	actions,
		const VecRef< Q > &	metric_actions = `{}`,
		const std::vector< size_t > &	q_delete = `{}`,
		const Matrix< value_type > &	coefficients = `{}`
	)

pure virtual

Replaces the old D space and the Q vectors q_delete by new D vectors, which are linear combinations of them.

Parameters

params	the new D vectors
actions	their actions
metric_actions	their actions of the metric, given exactly if they are stored
q_delete	indices of the Q vectors to delete
coefficients	if there is a metric and there are new D vectors, the coefficients of the new D vectors (rows) in the deleted Q vectors (in the order of q_delete) followed by the old D vectors, from which their metric matrix elements are obtained without operations on vectors

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ update_pspace()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::update_pspace	(	const CVecRef< P > &	params,
		const array::Span< value_type > &	pp_action_matrix,
		const array::Span< value_type > &	pp_metric_matrix = `{}`
	)

pure virtual

Adds parameters to the P space.

Parameters

params	the P space vectors
pp_action_matrix	the kernel matrix in the P space
pp_metric_matrix	the metric matrix in the P space, given exactly if there is a metric

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

◆ update_qspace()

template<class RT , class QT , class PT >

virtual void molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::update_qspace	(	const CVecRef< R > &	params,
		const CVecRef< R > &	actions,
		const CVecRef< R > &	metric_actions = `{}`
	)

pure virtual

Adds parameters to the Q space.

Parameters

params	new parameters
actions	their actions
metric_actions	their actions of the metric, given exactly if there is a metric

Implemented in molpro::linalg::itsolv::subspace::XSpace< R, Q, P >.

Member Data Documentation

◆ data

template<class RT , class QT , class PT >

SubspaceData<value_type> molpro::linalg::itsolv::subspace::IXSpace< RT, QT, PT >::data

Equation data in the subspace.

Detailed Description

Public Types

Public Member Functions

Public Attributes

Member Typedef Documentation

◆ P

◆ Q

◆ R

◆ value_type

◆ value_type_abs

Constructor & Destructor Documentation

◆ IXSpace()

◆ ~IXSpace()

Member Function Documentation

◆ actionsd() [1/2]

◆ actionsd() [2/2]

◆ actionsq() [1/2]

◆ actionsq() [2/2]

◆ cactionsd()

◆ cactionsq()

◆ cmetric_actionsd()

◆ cmetric_actionsq()

◆ cparamsd()

◆ cparamsp()

◆ cparamsq()

◆ dimensions()

◆ erase()

◆ erased()

◆ erasep()

◆ eraseq()

◆ metric_kind()

◆ metric_storage()

◆ paramsd() [1/2]

◆ paramsd() [2/2]

◆ paramsp() [1/2]

◆ paramsp() [2/2]

◆ paramsq() [1/2]

◆ paramsq() [2/2]

◆ set_logger()

◆ set_metric()

◆ size()

◆ stores_metric_actions()

◆ update_dspace()

◆ update_pspace()

◆ update_qspace()

Member Data Documentation

◆ data