MADNESS: PyFunctor< T, NDIM > Class Template Reference

MADNESS 0.10.1

#include <py_functor.h>

Inheritance diagram for PyFunctor< T, NDIM >:

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Collaboration diagram for PyFunctor< T, NDIM >:

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Public Member Functions
	PyFunctor (py::object f)

	~PyFunctor ()

void	operator() (const madness::Vector< double , 1 > &xvals, T fvals, int npts) const override

void	operator() (const madness::Vector< double , 2 > &xvals, T fvals, int npts) const override

void	operator() (const madness::Vector< double , 3 > &xvals, T fvals, int npts) const override

void	operator() (const madness::Vector< double , 4 > &xvals, T fvals, int npts) const override

void	operator() (const madness::Vector< double , 5 > &xvals, T fvals, int npts) const override

void	operator() (const madness::Vector< double , 6 > &xvals, T fvals, int npts) const override

T	operator() (const madness::Vector< double, NDIM > &r) const override
	You should implement this to return `f(x)`

bool	supports_vectorized () const override
	Does the interface support a vectorized operator()?

Public Member Functions inherited from madness::FunctionFunctorInterface< T, NDIM >
	FunctionFunctorInterface ()

virtual	~FunctionFunctorInterface ()

virtual coeffT	coeff (const keyT &) const

virtual bool	provides_coeff () const
	does this functor directly provide sum coefficients? or only function values?

virtual bool	screened (const Vector< double, NDIM > &c1, const Vector< double, NDIM > &c2) const
	Can we screen this function based on the bounding box information?

void	set_length_scale (double lo)
	adapt the special level to resolve the smallest length scale

virtual Level	special_level () const
	Override this to change the minimum level of refinement at special points (default is 6)

virtual std::vector< Vector< double, NDIM > >	special_points () const
	Override this to return list of special points to be refined more deeply.

virtual coeffT	values (const keyT &key, const Tensor< double > &tensor) const

Private Member Functions
void	eval_scalar_loop (const py::array_t< double > &coords, T *fvals, int npts) const
	Evaluate the callable per-point using scalar convention (still 1 GIL acquisition).

void	eval_vectorized (const madness::Vector< double , NDIM > &xvals, T fvals, int npts) const

Private Attributes
py::object	py_callable_

std::atomic< int >	vectorized_mode_ {0}

Additional Inherited Members
Public Types inherited from madness::FunctionFunctorInterface< T, NDIM >
typedef GenTensor< T >	coeffT

typedef Key< NDIM >	keyT

typedef T	value_type

Public Attributes inherited from madness::FunctionFunctorInterface< T, NDIM >
Level	special_level_

Detailed Description

template<typename T, std::size_t NDIM>
class PyFunctor< T, NDIM >

Wraps a Python callable as a MADNESS FunctionFunctorInterface<T,NDIM>.

Supports two calling conventions:

Scalar: f(r) where r has shape (NDIM,), returns scalar
Vectorized: f(r) where r has shape (npts, NDIM), returns array of shape (npts,)

The vectorized path is always used (supports_vectorized() returns true). On the first batch call, we probe the callable to detect which convention it uses and cache the result.

Constructor & Destructor Documentation

◆ PyFunctor()

template<typename T , std::size_t NDIM>

PyFunctor< T, NDIM >::PyFunctor ( py::object f )

inlineexplicit

◆ ~PyFunctor()

template<typename T , std::size_t NDIM>

PyFunctor< T, NDIM >::~PyFunctor ( )

inline

References PyFunctor< T, NDIM >::py_callable_.

Member Function Documentation

◆ eval_scalar_loop()

template<typename T , std::size_t NDIM>

void PyFunctor< T, NDIM >::eval_scalar_loop	(	const py::array_t< double > &	coords,
		T *	fvals,
		int	npts
	)		const

inlineprivate

Evaluate the callable per-point using scalar convention (still 1 GIL acquisition).

References d, NDIM, npts, PyFunctor< T, NDIM >::py_callable_, and T().

Referenced by PyFunctor< T, NDIM >::eval_vectorized().

◆ eval_vectorized()

template<typename T , std::size_t NDIM>

void PyFunctor< T, NDIM >::eval_vectorized	(	const madness::Vector< double *, NDIM > &	xvals,
		T *	fvals,
		int	npts
	)		const

inlineprivate

Core vectorized evaluation: builds numpy array from coordinate pointers, calls the Python callable once, and fills fvals.

References d, PyFunctor< T, NDIM >::eval_scalar_loop(), NDIM, npts, PyFunctor< T, NDIM >::py_callable_, and PyFunctor< T, NDIM >::vectorized_mode_.

Referenced by PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), PyFunctor< T, NDIM >::operator()(), and PyFunctor< T, NDIM >::operator()().

◆ operator()() [1/7]

template<typename T , std::size_t NDIM>

void PyFunctor< T, NDIM >::operator()	(	const madness::Vector< double *, 1 > &	xvals,
		T *	fvals,
		int	npts
	)		const

inlineoverridevirtual

Reimplemented from madness::FunctionFunctorInterface< T, NDIM >.

References PyFunctor< T, NDIM >::eval_vectorized(), NDIM, and npts.

◆ operator()() [2/7]

template<typename T , std::size_t NDIM>

void PyFunctor< T, NDIM >::operator()	(	const madness::Vector< double *, 2 > &	xvals,
		T *	fvals,
		int	npts
	)		const

inlineoverridevirtual

Reimplemented from madness::FunctionFunctorInterface< T, NDIM >.

References PyFunctor< T, NDIM >::eval_vectorized(), NDIM, and npts.

◆ operator()() [3/7]

template<typename T , std::size_t NDIM>

void PyFunctor< T, NDIM >::operator()	(	const madness::Vector< double *, 3 > &	xvals,
		T *	fvals,
		int	npts
	)		const

inlineoverridevirtual

Reimplemented from madness::FunctionFunctorInterface< T, NDIM >.

References PyFunctor< T, NDIM >::eval_vectorized(), NDIM, and npts.

◆ operator()() [4/7]

template<typename T , std::size_t NDIM>

void PyFunctor< T, NDIM >::operator()	(	const madness::Vector< double *, 4 > &	xvals,
		T *	fvals,
		int	npts
	)		const

inlineoverridevirtual

Reimplemented from madness::FunctionFunctorInterface< T, NDIM >.

References PyFunctor< T, NDIM >::eval_vectorized(), NDIM, and npts.

◆ operator()() [5/7]

template<typename T , std::size_t NDIM>

void PyFunctor< T, NDIM >::operator()	(	const madness::Vector< double *, 5 > &	xvals,
		T *	fvals,
		int	npts
	)		const

inlineoverridevirtual

Reimplemented from madness::FunctionFunctorInterface< T, NDIM >.

References PyFunctor< T, NDIM >::eval_vectorized(), NDIM, and npts.

◆ operator()() [6/7]

template<typename T , std::size_t NDIM>

void PyFunctor< T, NDIM >::operator()	(	const madness::Vector< double *, 6 > &	xvals,
		T *	fvals,
		int	npts
	)		const

inlineoverridevirtual

Reimplemented from madness::FunctionFunctorInterface< T, NDIM >.

References PyFunctor< T, NDIM >::eval_vectorized(), NDIM, and npts.

◆ operator()() [7/7]

template<typename T , std::size_t NDIM>

T PyFunctor< T, NDIM >::operator() ( const madness::Vector< double, NDIM > & x ) const

inlineoverridevirtual

You should implement this to return f(x)

Implements madness::FunctionFunctorInterface< T, NDIM >.

References NDIM, PyFunctor< T, NDIM >::py_callable_, and T().

◆ supports_vectorized()

template<typename T , std::size_t NDIM>

bool PyFunctor< T, NDIM >::supports_vectorized ( ) const

inlineoverridevirtual

Does the interface support a vectorized operator()?

Reimplemented from madness::FunctionFunctorInterface< T, NDIM >.

Member Data Documentation

◆ py_callable_

template<typename T , std::size_t NDIM>

py::object PyFunctor< T, NDIM >::py_callable_

private

Referenced by PyFunctor< T, NDIM >::~PyFunctor(), PyFunctor< T, NDIM >::eval_scalar_loop(), PyFunctor< T, NDIM >::eval_vectorized(), and PyFunctor< T, NDIM >::operator()().

◆ vectorized_mode_

template<typename T , std::size_t NDIM>

std::atomic<int> PyFunctor< T, NDIM >::vectorized_mode_ {0}

mutableprivate

Referenced by PyFunctor< T, NDIM >::eval_vectorized().

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

py_functor.h