madness::FunctionFactory< T, NDIM > Class Template Reference

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 >:

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
template<typename opT >
std::enable_if< notstd::is_base_of< FunctionFunctorInterface< T, NDIM >, opT >::value, FunctionFactory & >::type	functor (const opT &op)
	pass in a functor that is not derived from FunctionFunctorInterface
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
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
FunctionFactory &	special_level (int special_level)
FunctionFactory &	special_points (const std::vector< Vector< double, NDIM > > &special_points)
virtual FunctionFactory &	thresh (double thresh)
FunctionFactory &	treestate (const TreeState state)
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.

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()

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, and madness::FunctionFactory< T, NDIM >::self().

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, madness::reconstructed, and madness::FunctionFactory< T, NDIM >::self().

Referenced by madness::MP2::add_local_coupling(), 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, and madness::FunctionFactory< T, NDIM >::self().

Referenced by madness::apply(), madness::hartree_product(), 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::f, madness::FunctionFactory< T, NDIM >::functor(), and madness::FunctionFactory< T, NDIM >::self().

Referenced by compute_update(), cplxfunc0(), cplxfunc1(), cplxfunc2(), data< T, NDIM >::initialize(), main(), madness::smooth< T, NDIM >::make_inv_mask(), madness::LRFunctorF12< T, NDIM, LDIM >::norm2(), 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_multiply(), test_per(), test_periodic(), test_periodic1(), test_periodic2(), test_periodic_bsh(), test_projector_outer(), test_swap_particles(), test_vector_composite(), test_with_function(), test_with_function_vector(), test_xc2(), testNavierStokes(), and testPeriodicCoulomb3d().

fence()

template<typename T , std::size_t NDIM>

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

inline

References madness::FunctionFactory< T, NDIM >::_fence, madness::FunctionFactory< T, NDIM >::fence(), and madness::FunctionFactory< T, NDIM >::self().

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

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

functor() [2/3]

template<typename T , std::size_t NDIM>

template<typename opT >

std::enable_if< notstd::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, op(), and madness::FunctionFactory< T, NDIM >::self().

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

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(), test_dot(), madness::test_exchange(), test_exchange(), test_fock(), test_full_rank_functor(), test_hermiticity(), test_hf_he(), test_inner(), 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_size(), test_transform(), test_unaryop(), test_XCOperator(), and madness::LowRankFunctionFactory< T, NDIM, LDIM >::Yformer().

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

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, madness::FunctionFactory< T, NDIM >::initial_level(), and madness::FunctionFactory< T, NDIM >::self().

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

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

Referenced by madness::apply(), madness::Function< T, NDIM >::dirac_convolution(), madness::hartree_product(), 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, madness::FunctionFactory< T, NDIM >::max_refine_level(), and madness::FunctionFactory< T, NDIM >::self().

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

noautorefine()

template<typename T , std::size_t NDIM>

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

inline

References madness::FunctionFactory< T, NDIM >::_autorefine, and madness::FunctionFactory< T, NDIM >::self().

nofence()

template<typename T , std::size_t NDIM>

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

inline

References madness::FunctionFactory< T, NDIM >::_fence, and madness::FunctionFactory< T, NDIM >::self().

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, madness::FunctionFactory< T, NDIM >::norefine(), and madness::FunctionFactory< T, NDIM >::self().

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

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, madness::FunctionFactory< T, NDIM >::pmap(), and madness::FunctionFactory< T, NDIM >::self().

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

Referenced by 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

Referenced by madness::FunctionFactory< T, NDIM >::autorefine(), madness::FunctionFactory< T, NDIM >::compressed(), madness::FunctionFactory< T, NDIM >::empty(), madness::FunctionFactory< T, NDIM >::f(), madness::FunctionFactory< T, NDIM >::fence(), madness::FunctionFactory< T, NDIM >::functor(), madness::FunctionFactory< T, NDIM >::functor(), madness::FunctionFactory< T, NDIM >::initial_level(), madness::FunctionFactory< T, NDIM >::is_on_demand(), madness::FunctionFactory< T, NDIM >::k(), madness::FunctionFactory< T, NDIM >::max_refine_level(), madness::FunctionFactory< T, NDIM >::no_functor(), madness::FunctionFactory< T, NDIM >::noautorefine(), madness::FunctionFactory< T, NDIM >::nofence(), madness::FunctionFactory< T, NDIM >::norefine(), madness::FunctionFactory< T, NDIM >::notruncate_on_project(), madness::FunctionFactory< T, NDIM >::pmap(), madness::FunctionFactory< T, NDIM >::refine(), madness::FunctionFactory< T, NDIM >::special_level(), madness::FunctionFactory< T, NDIM >::special_points(), madness::FunctionFactory< T, NDIM >::thresh(), madness::FunctionFactory< T, NDIM >::treestate(), madness::FunctionFactory< T, NDIM >::truncate_mode(), and madness::FunctionFactory< T, NDIM >::truncate_on_project().

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, madness::FunctionFactory< T, NDIM >::self(), and madness::FunctionFactory< T, NDIM >::special_level().

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

special_points()

template<typename T , std::size_t NDIM>

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

inline

References madness::FunctionFactory< T, NDIM >::_special_points, madness::FunctionFactory< T, NDIM >::self(), and madness::FunctionFactory< T, NDIM >::special_points().

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

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, madness::FunctionFactory< T, NDIM >::self(), and thresh.

Referenced by madness::apply(), madness::exchange_anchor_test(), exchange_anchor_test(), madness::MP2::guess_mp1_3(), madness::hartree_product(), madness::hartree_product(), madness::innerXX(), madness::MP2::make_Uphi0(), madness::MP2::multiply_with_0th_order_Hamiltonian(), madness::project(), madness::Function< T, NDIM >::project_out(), test_coulomb(), madness::test_exchange(), test_exchange(), test_he(), test_hf_be(), and test_hydro().

treestate()

template<typename T , std::size_t NDIM>

FunctionFactory & madness::FunctionFactory< T, NDIM >::treestate ( const TreeState  state )

inline

References madness::FunctionFactory< T, NDIM >::_tree_state, madness::compressed, MADNESS_CHECK_THROW, madness::reconstructed, and madness::FunctionFactory< T, NDIM >::self().

Referenced by madness::NonlinearSolverND< NDIM >::update().

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, madness::FunctionFactory< T, NDIM >::self(), and 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, and madness::FunctionFactory< T, NDIM >::self().

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 Symbol 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 >::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(), madness::FunctionFactory< T, NDIM >::is_on_demand(), and madness::FunctionFactory< T, NDIM >::treestate().

_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:

• funcimpl.h
• function_factory.h