#include <InterpolatedPotential.hh>

Public Member Functions
	InterpolatedPotential ()

	~InterpolatedPotential ()=default

void	dimension (utility::fixedsizearray1< Size, N > const &dims)

utility::fixedsizearray1< Real,(1<< N) > &	operator() (Size i, Size j, Size k, Size l)

utility::fixedsizearray1< Real,(1<< N) > &	operator() (utility::fixedsizearray1< Size, N > const &indices)

utility::fixedsizearray1< Real,(1<< N) > const &	operator() (utility::fixedsizearray1< Size, N > const &indices) const

utility::fixedsizearray1< Size, N > const &	grid_size () const

std::pair< Real, Real > const &	axis_range (Size const n) const

utility::fixedsizearray1< Real, N > const &	bin_width () const

void	set_bin_width (utility::fixedsizearray1< Real, N > const &values)

void	get_indices (utility::fixedsizearray1< Real, N > const &values, utility::fixedsizearray1< Size, N > &bins, utility::fixedsizearray1< Size, N > &next_bins, utility::fixedsizearray1< Real, N > &partial) const

void	set_periodic (bool const setting)

void	set_periodic (utility::fixedsizearray1< bool, N > const &periodic)

Private Attributes
utility::fixedsizearray1< Size, N >	grid_size_

utility::fixedsizearray1< std::pair< Real, Real >, N >	axis_ranges_ = std::make_pair( 0.0, 0.0 )

utility::vector0< utility::fixedsizearray1< Real,(1<< N) > >	gridpoints_

utility::fixedsizearray1< Real, N >	bin_width_

utility::fixedsizearray1< bool, N >	periodic_

Constructor & Destructor Documentation

◆ InterpolatedPotential()

template<Size N>

numeric::interpolation::InterpolatedPotential< N >::InterpolatedPotential ( )

inline

References kmeans_adaptive_kernel_density_bb_dependent_rotlib::p, and numeric::interpolation::InterpolatedPotential< N >::periodic_.

◆ ~InterpolatedPotential()

template<Size N>

numeric::interpolation::InterpolatedPotential< N >::~InterpolatedPotential ( )

default

Member Function Documentation

◆ axis_range()

template<Size N>

std::pair< Real, Real > const& numeric::interpolation::InterpolatedPotential< N >::axis_range ( Size const n ) const

inline

References numeric::interpolation::InterpolatedPotential< N >::axis_ranges_, and kmeans_adaptive_kernel_density_bb_dependent_rotlib::n.

Referenced by numeric::interpolation::polycubic_interpolation().

◆ bin_width()

template<Size N>

utility::fixedsizearray1< Real, N > const& numeric::interpolation::InterpolatedPotential< N >::bin_width ( ) const

inline

References numeric::interpolation::InterpolatedPotential< N >::bin_width_.

Referenced by numeric::interpolation::polycubic_interpolation().

◆ dimension()

template<Size N>

void numeric::interpolation::InterpolatedPotential< N >::dimension ( utility::fixedsizearray1< Size, N > const & dims )

inline

References numeric::interpolation::InterpolatedPotential< N >::grid_size_, numeric::interpolation::InterpolatedPotential< N >::gridpoints_, create_a3b_hbs::ii, N, and numeric::product().

◆ get_indices()

template<Size N>

void numeric::interpolation::InterpolatedPotential< N >::get_indices	(	utility::fixedsizearray1< Real, N > const &	values,
		utility::fixedsizearray1< Size, N > &	bins,
		utility::fixedsizearray1< Size, N > &	next_bins,
		utility::fixedsizearray1< Real, N > &	partial
	)		const

References bin_torsions::bins, create_a3b_hbs::first, create_a3b_hbs::ii, numeric::mod(), N, and test.T040_Types::values.

Referenced by numeric::interpolation::polycubic_interpolation().

◆ grid_size()

template<Size N>

utility::fixedsizearray1< Size, N > const& numeric::interpolation::InterpolatedPotential< N >::grid_size ( ) const

inline

References numeric::interpolation::InterpolatedPotential< N >::grid_size_.

Referenced by numeric::interpolation::polycubic_interpolation().

◆ operator()() [1/3]

template<Size N>

utility::fixedsizearray1< Real,(1<< N) > & numeric::interpolation::InterpolatedPotential< N >::operator()	(	Size	i,
		Size	j,
		Size	k,
		Size	l
	)

References h, create_a3b_hbs::i, internal_coordinates::indices, create_a3b_hbs::j, create_a3b_hbs::k, and N.

◆ operator()() [2/3]

template<Size N>

utility::fixedsizearray1< Real,(1<< N) > & numeric::interpolation::InterpolatedPotential< N >::operator() ( utility::fixedsizearray1< Size, N > const & indices )

References create_a3b_hbs::ii, internal_coordinates::indices, and N.

◆ operator()() [3/3]

template<Size N>

utility::fixedsizearray1< Real,(1<< N) > const & numeric::interpolation::InterpolatedPotential< N >::operator() ( utility::fixedsizearray1< Size, N > const & indices ) const