FunctionFactory implements the named-parameter idiom for Function. More...

#include <function_factory.h>

Inheritance diagram for madness::FunctionFactory< T, NDIM >:

Collaboration diagram for madness::FunctionFactory< T, NDIM >:

[legend]

Public Member Functions
	FunctionFactory (World &world)

virtual	~FunctionFactory ()

FunctionFactory &	autorefine ()

FunctionFactory &	compressed (bool value=true)

FunctionFactory &	empty ()

FunctionFactory &	f (T(*f)(const coordT &))

FunctionFactory &	fence (bool fence=true)

template<typename opT >
std::enable_if< std::is_base_of< FunctionFunctorInterface< T, NDIM >, opT >::value, FunctionFactory & >::type	functor (const opT &op)
	pass in a functor that is derived from FunctionFunctorInterface More...

template<typename opT >
std::enable_if< not std::is_base_of< FunctionFunctorInterface< T, NDIM >, opT >::value, FunctionFactory & >::type	functor (const opT &op)
	pass in a functor that is not derived from FunctionFunctorInterface More...

FunctionFactory &	functor (const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > &f)

virtual std::shared_ptr< FunctionFunctorInterface< T, NDIM > >	get_functor () const
	return the functor; override this if the functor needs deferred construction More...

int	get_k () const

double	get_thresh () const

World &	get_world () const

FunctionFactory &	initial_level (int initial_level)

virtual FunctionFactory &	is_on_demand ()

virtual FunctionFactory &	k (int k)

FunctionFactory &	max_refine_level (int max_refine_level)

FunctionFactory &	no_functor ()

FunctionFactory &	noautorefine ()

FunctionFactory &	nofence ()

FunctionFactory &	norefine (bool norefine=true)

FunctionFactory &	notruncate_on_project ()

FunctionFactory &	pmap (const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > &pmap)

FunctionFactory &	refine (bool refine=true)

FunctionFactory &	self ()
	implement this in all derived classes for correct chaining More...

FunctionFactory &	special_level (int special_level)

FunctionFactory &	special_points (std::vector< Vector< double, NDIM > > &special_points)

virtual FunctionFactory &	thresh (double thresh)

FunctionFactory &	truncate_mode (int truncate_mode)

FunctionFactory &	truncate_on_project ()

Protected Attributes
bool	_autorefine

bool	_empty

bool	_fence

int	_initial_level = FunctionDefaults<NDIM>::get_initial_level()

int	_k

int	_max_refine_level

std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > >	_pmap

bool	_refine

int	_special_level = FunctionDefaults<NDIM>::get_special_level()

std::vector< Vector< double, NDIM > >	_special_points

double	_thresh

TreeState	_tree_state

int	_truncate_mode

bool	_truncate_on_project

World &	_world

Private Types
typedef Vector< double, NDIM >	coordT
	Type of vector holding coordinates. More...

Private Attributes
std::shared_ptr< FunctionFunctorInterface< T, NDIM > >	_functor

Friends
class	FunctionImpl< T, NDIM >

Detailed Description

template<typename T, std::size_t NDIM>
class madness::FunctionFactory< T, NDIM >

FunctionFactory implements the named-parameter idiom for Function.

C++ does not provide named arguments (as does, e.g., Python). This class provides something very close. Create functions as follows

double myfunc(const double x[]);

Function<double,3> f = FunctionFactory<double,3>(world).f(myfunc).k(11).thresh(1e-9).debug()

madness::FunctionFactory::f

FunctionFactory & f(T(*f)(const coordT &))

Definition: function_factory.h:180

madness::FunctionFactory::thresh

virtual FunctionFactory & thresh(double thresh)

Definition: function_factory.h:191

madness::FunctionFactory::k

virtual FunctionFactory & k(int k)

Definition: function_factory.h:186

e

void e()

Definition: test_sig.cc:75

where the methods of function factory, which specify the non-default arguments eventually passed to the Function constructor, can be used in any order.

Need to add a general functor for initial projection with a standard interface.

Member Typedef Documentation

◆ coordT

template<typename T , std::size_t NDIM>

typedef Vector<double, NDIM> madness::FunctionFactory< T, NDIM >::coordT

private

Type of vector holding coordinates.

Constructor & Destructor Documentation

◆ FunctionFactory()

template<typename T , std::size_t NDIM>

madness::FunctionFactory< T, NDIM >::FunctionFactory ( World & world )

inline

◆ ~FunctionFactory()

template<typename T , std::size_t NDIM>

virtual madness::FunctionFactory< T, NDIM >::~FunctionFactory ( )

inlinevirtual

Member Function Documentation

◆ autorefine()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::autorefine ( )

inline

References madness::FunctionFactory< T, NDIM >::_autorefine.

◆ compressed()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::compressed ( bool value = true )

inline

References madness::FunctionFactory< T, NDIM >::_tree_state, madness::compressed, and madness::reconstructed.

Referenced by molresponseExchange(), and madness::sum().

◆ empty()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::empty ( )

inline

References madness::FunctionFactory< T, NDIM >::_empty.

Referenced by madness::apply(), madness::hartree_product(), madness::innerXX(), and madness::project().

◆ f()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::f ( T(*)(const coordT &) f )

inline

References madness::FunctionFactory< T, NDIM >::functor().

Referenced by cplxfunc0(), cplxfunc1(), cplxfunc2(), madness::FunctionFactory< T, NDIM >::functor(), madness::CompositeFactory< T, NDIM, MDIM >::g12(), data< T, NDIM >::initialize(), madness::CompositeFactory< T, NDIM, MDIM >::ket(), main(), madness::smooth< T, NDIM >::make_inv_mask(), madness::LRFunctorF12< T, NDIM, LDIM >::norm2(), madness::CompositeFactory< T, NDIM, MDIM >::particle1(), madness::CompositeFactory< T, NDIM, MDIM >::particle2(), realfunc0(), realfunc1(), realfunc2(), test_add(), test_hartree_product(), test_he(), test_he_potential(), test_hf_be(), test_hf_h2(), test_hf_he(), test_hydro(), test_per(), test_periodic(), test_periodic1(), test_periodic2(), test_periodic_bsh(), test_projector_outer(), test_swap_particles(), test_vector_composite(), test_xc2(), testNavierStokes(), testPeriodicCoulomb3d(), madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle1(), and madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle2().

◆ fence()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::fence ( bool fence = true )

inline

References madness::FunctionFactory< T, NDIM >::_fence.

Referenced by madness::apply().

◆ functor() [1/3]

template<typename T , std::size_t NDIM>

template<typename opT >

std::enable_if<std::is_base_of<FunctionFunctorInterface<T, NDIM>, opT>::value, FunctionFactory&>::type madness::FunctionFactory< T, NDIM >::functor ( const opT & op )

inline

pass in a functor that is derived from FunctionFunctorInterface

similar to the first version of functor, but easy-to-use FunctionFunctorInterface must be a public base of opT

References madness::FunctionFactory< T, NDIM >::_functor, and op().

◆ functor() [2/3]

template<typename T , std::size_t NDIM>

template<typename opT >

std::enable_if<not std::is_base_of<FunctionFunctorInterface<T, NDIM>, opT>::value, FunctionFactory&>::type madness::FunctionFactory< T, NDIM >::functor ( const opT & op )

inline

pass in a functor that is not derived from FunctionFunctorInterface

similar to the first version of functor, but easy-to-use

References madness::FunctionFactory< T, NDIM >::_functor, and op().

◆ functor() [3/3]

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::functor ( const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > & f )

inline

References madness::FunctionFactory< T, NDIM >::_functor, and madness::FunctionFactory< T, NDIM >::f().

Referenced by dnuclear_anchor_test(), madness::exchange_anchor_test(), exchange_anchor_test(), madness::FunctionFactory< T, NDIM >::f(), nuclear_anchor_test(), madness::InitParameters::readnw(), test_add(), test_apply_push_1d(), test_arithmetic(), test_asymmetric(), test_basic(), test_bsh(), test_combined_operators(), test_construction_optimization(), test_conv(), test_converged_function(), test_convergence(), test_coulomb(), test_cross(), test_diff(), madness::test_exchange(), test_exchange(), test_fock(), test_full_rank_functor(), test_hermiticity(), test_hf_he(), test_inner(), test_io(), test_kinetic(), test_lowrank_function(), test_math(), test_matrix_mul_sparse(), test_molecular_grid(), test_multi_to_multi_op(), test_op(), test_operator_apply(), test_plot(), test_proj(), test_projector(), test_Q12_projector(), test_rot(), test_transform(), test_unaryop(), and test_XCOperator().

◆ get_functor()

template<typename T , std::size_t NDIM>

virtual std::shared_ptr<FunctionFunctorInterface<T, NDIM> > madness::FunctionFactory< T, NDIM >::get_functor ( ) const

inlinevirtual

return the functor; override this if the functor needs deferred construction

Reimplemented in madness::TwoElectronFactory< T, NDIM >, and madness::CompositeFactory< T, NDIM, MDIM >.

References madness::FunctionFactory< T, NDIM >::_functor.

◆ get_k()

template<typename T , std::size_t NDIM>

int madness::FunctionFactory< T, NDIM >::get_k ( ) const

inline

References madness::FunctionFactory< T, NDIM >::_k.

◆ get_thresh()

template<typename T , std::size_t NDIM>

double madness::FunctionFactory< T, NDIM >::get_thresh ( ) const

inline

References madness::FunctionFactory< T, NDIM >::_thresh.

◆ get_world()

template<typename T , std::size_t NDIM>

World& madness::FunctionFactory< T, NDIM >::get_world ( ) const

inline

References madness::FunctionFactory< T, NDIM >::_world.

◆ initial_level()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::initial_level ( int initial_level )

inline

References madness::FunctionFactory< T, NDIM >::_initial_level.

Referenced by main(), test_conv(), test_coulomb(), test_hf_be(), test_hydro(), and test_per().

◆ is_on_demand()

template<typename T , std::size_t NDIM>

virtual FunctionFactory& madness::FunctionFactory< T, NDIM >::is_on_demand ( )

inlinevirtual

References madness::FunctionFactory< T, NDIM >::_tree_state, and madness::on_demand.

Referenced by test_vector_composite().

◆ k()

template<typename T , std::size_t NDIM>

virtual FunctionFactory& madness::FunctionFactory< T, NDIM >::k ( int k )

inlinevirtual

References madness::FunctionFactory< T, NDIM >::_k.

Referenced by madness::apply(), madness::Function< T, NDIM >::dirac_convolution(), madness::hartree_product(), madness::innerXX(), madness::project(), madness::Function< T, NDIM >::project_out(), and test_conv().

◆ max_refine_level()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::max_refine_level ( int max_refine_level )

inline

References madness::FunctionFactory< T, NDIM >::_max_refine_level.

◆ no_functor()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::no_functor ( )

inline

References madness::FunctionFactory< T, NDIM >::_functor.

◆ noautorefine()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::noautorefine ( )

inline

References madness::FunctionFactory< T, NDIM >::_autorefine.

◆ nofence()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::nofence ( )

inline

References madness::FunctionFactory< T, NDIM >::_fence.

Referenced by madness::innerXX().

◆ norefine()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::norefine ( bool norefine = true )

inline

References madness::FunctionFactory< T, NDIM >::_refine.

Referenced by test_conv(), and test_per().

◆ notruncate_on_project()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::notruncate_on_project ( )

inline

References madness::FunctionFactory< T, NDIM >::_truncate_on_project.

◆ pmap()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::pmap ( const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > & pmap )

inline

References madness::FunctionFactory< T, NDIM >::_pmap.

◆ refine()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::refine ( bool refine = true )

inline

References madness::FunctionFactory< T, NDIM >::_refine.

◆ self()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::self ( )

inline

implement this in all derived classes for correct chaining

◆ special_level()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::special_level ( int special_level )

inline

References madness::FunctionFactory< T, NDIM >::_special_level.

◆ special_points()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::special_points ( std::vector< Vector< double, NDIM > > & special_points )

inline

References madness::FunctionFactory< T, NDIM >::_special_points.

Referenced by main().

◆ thresh()

template<typename T , std::size_t NDIM>

virtual FunctionFactory& madness::FunctionFactory< T, NDIM >::thresh ( double thresh )

inlinevirtual

Reimplemented in madness::TwoElectronFactory< T, NDIM >.

References madness::FunctionFactory< T, NDIM >::_thresh.

Referenced by madness::apply(), madness::exchange_anchor_test(), exchange_anchor_test(), madness::hartree_product(), madness::innerXX(), madness::MP2::make_Uphi0(), madness::project(), madness::Function< T, NDIM >::project_out(), test_coulomb(), madness::test_exchange(), test_exchange(), test_he(), test_hf_be(), and test_hydro().

◆ truncate_mode()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::truncate_mode ( int truncate_mode )

inline

References madness::FunctionFactory< T, NDIM >::_truncate_mode.

◆ truncate_on_project()

template<typename T , std::size_t NDIM>

FunctionFactory& madness::FunctionFactory< T, NDIM >::truncate_on_project ( )

inline

References madness::FunctionFactory< T, NDIM >::_truncate_on_project.

Referenced by dnuclear_anchor_test(), madness::exchange_anchor_test(), exchange_anchor_test(), nuclear_anchor_test(), test_asymmetric(), test_coulomb(), madness::test_exchange(), test_exchange(), test_fock(), test_hermiticity(), test_kinetic(), and testNavierStokes().

Friends And Related Function Documentation

◆ FunctionImpl< T, NDIM >

template<typename T , std::size_t NDIM>

friend class FunctionImpl< T, NDIM >

friend

Member Data Documentation

◆ _autorefine

template<typename T , std::size_t NDIM>

bool madness::FunctionFactory< T, NDIM >::_autorefine

protected

Referenced by madness::FunctionFactory< T, NDIM >::autorefine(), and madness::FunctionFactory< T, NDIM >::noautorefine().

◆ _empty

template<typename T , std::size_t NDIM>

bool madness::FunctionFactory< T, NDIM >::_empty

protected

Referenced by madness::FunctionImpl< T, NDIM >::FunctionImpl(), and madness::FunctionFactory< T, NDIM >::empty().

◆ _fence

template<typename T , std::size_t NDIM>

bool madness::FunctionFactory< T, NDIM >::_fence

protected

Referenced by madness::FunctionImpl< T, NDIM >::FunctionImpl(), madness::FunctionFactory< T, NDIM >::fence(), and madness::FunctionFactory< T, NDIM >::nofence().

◆ _functor

template<typename T , std::size_t NDIM>

std::shared_ptr<FunctionFunctorInterface<T, NDIM> > madness::FunctionFactory< T, NDIM >::_functor

private

Referenced by madness::FunctionFactory< T, NDIM >::functor(), madness::FunctionFactory< T, NDIM >::get_functor(), and madness::FunctionFactory< T, NDIM >::no_functor().

◆ _initial_level

template<typename T , std::size_t NDIM>

int madness::FunctionFactory< T, NDIM >::_initial_level = FunctionDefaults<NDIM>::get_initial_level()

protected

Referenced by madness::FunctionFactory< T, NDIM >::initial_level().

◆ _k

template<typename T , std::size_t NDIM>

int madness::FunctionFactory< T, NDIM >::_k

protected

Referenced by madness::FunctionFactory< T, NDIM >::get_k(), and madness::FunctionFactory< T, NDIM >::k().

◆ _max_refine_level

template<typename T , std::size_t NDIM>

int madness::FunctionFactory< T, NDIM >::_max_refine_level

protected

Referenced by madness::FunctionFactory< T, NDIM >::max_refine_level().

◆ _pmap

template<typename T , std::size_t NDIM>

std::shared_ptr<WorldDCPmapInterface<Key<NDIM> > > madness::FunctionFactory< T, NDIM >::_pmap

protected

Referenced by madness::FunctionFactory< T, NDIM >::pmap().

◆ _refine

template<typename T , std::size_t NDIM>

bool madness::FunctionFactory< T, NDIM >::_refine

protected

Referenced by madness::FunctionImpl< T, NDIM >::FunctionImpl(), madness::FunctionFactory< T, NDIM >::norefine(), and madness::FunctionFactory< T, NDIM >::refine().

◆ _special_level

template<typename T , std::size_t NDIM>

int madness::FunctionFactory< T, NDIM >::_special_level = FunctionDefaults<NDIM>::get_special_level()

protected

Referenced by madness::FunctionFactory< T, NDIM >::special_level().

◆ _special_points

template<typename T , std::size_t NDIM>

std::vector<Vector<double, NDIM> > madness::FunctionFactory< T, NDIM >::_special_points

protected

Referenced by madness::FunctionFactory< T, NDIM >::special_points().

◆ _thresh

template<typename T , std::size_t NDIM>

double madness::FunctionFactory< T, NDIM >::_thresh

protected

Referenced by madness::FunctionFactory< T, NDIM >::get_thresh(), and madness::FunctionFactory< T, NDIM >::thresh().

◆ _tree_state

template<typename T , std::size_t NDIM>

TreeState madness::FunctionFactory< T, NDIM >::_tree_state

protected

Referenced by madness::FunctionFactory< T, NDIM >::compressed(), and madness::FunctionFactory< T, NDIM >::is_on_demand().

◆ _truncate_mode

template<typename T , std::size_t NDIM>

int madness::FunctionFactory< T, NDIM >::_truncate_mode

protected

Referenced by madness::FunctionFactory< T, NDIM >::truncate_mode().

◆ _truncate_on_project

template<typename T , std::size_t NDIM>

bool madness::FunctionFactory< T, NDIM >::_truncate_on_project

protected

Referenced by madness::FunctionFactory< T, NDIM >::notruncate_on_project(), and madness::FunctionFactory< T, NDIM >::truncate_on_project().

◆ _world

template<typename T , std::size_t NDIM>

World& madness::FunctionFactory< T, NDIM >::_world

protected

Referenced by madness::FunctionFactory< T, NDIM >::get_world().

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

Public Member Functions

Protected Attributes

Private Types

Private Attributes

Friends

Detailed Description

template<typename T, std::size_t NDIM> class madness::FunctionFactory< T, NDIM >

Member Typedef Documentation

◆ coordT

Constructor & Destructor Documentation

◆ FunctionFactory()

◆ ~FunctionFactory()

Member Function Documentation

◆ autorefine()

◆ compressed()

◆ empty()

◆ f()

◆ fence()

◆ functor() [1/3]

◆ functor() [2/3]

◆ functor() [3/3]

◆ get_functor()

◆ get_k()

◆ get_thresh()

◆ get_world()

◆ initial_level()

◆ is_on_demand()

◆ k()

◆ max_refine_level()

◆ no_functor()

◆ noautorefine()

◆ nofence()

◆ norefine()

◆ notruncate_on_project()

◆ pmap()

◆ refine()

◆ self()

◆ special_level()

◆ special_points()

◆ thresh()

◆ truncate_mode()

◆ truncate_on_project()

Friends And Related Function Documentation

◆ FunctionImpl< T, NDIM >

Member Data Documentation

◆ _autorefine

◆ _empty

◆ _fence

◆ _functor

◆ _initial_level

◆ _k

◆ _max_refine_level

◆ _pmap

◆ _refine

◆ _special_level

◆ _special_points

◆ _thresh

◆ _tree_state

◆ _truncate_mode

◆ _truncate_on_project

◆ _world

template<typename T, std::size_t NDIM>
class madness::FunctionFactory< T, NDIM >