#include <SHT.hh>

Public Member Functions
	SO3coeffs ()
	Constructor. More...

void	init (int B)
	Construct with a given bandwidth, # of radial shells. More...

int	lm_index (int m, int l)

int	transposeRowSize (int row, int m)

int	sampLoc (int m1, int m2)

int	coefLoc (int m1, int m2)

void	Legendre (utility::vector0< double > &data, int coeffs_idx, int m, utility::vector0< double > &result, utility::vector0< double > &cos_pml, utility::vector0< double > &weights, utility::vector0< double > &scratch1, utility::vector0< double > &scratch2, kiss_dct_cfg dctPlan)

void	InvLegendre (utility::vector0< double > &coeffs, int coeffs_idx, int m, utility::vector0< double > &result, utility::vector0< double > &trans_cos_pml, utility::vector0< double > &sin_values, utility::vector0< double > &scratch, kiss_dct_cfg idctPlan)

void	genWigner_ds (int m1, int m2, utility::vector0< double > const &cosEval, utility::vector0< double > const &sinEval2, utility::vector0< double > const &cosEval2, utility::vector0< double > &result, int start_idx, utility::vector0< double > &scratch1, utility::vector0< double > &scratch2)

void	wignerSynthesis (int m1, int m2, ObjexxFCL::FArray3D< std::complex< double > > &coeffs, int coeffs_idx, utility::vector0< double > &wignersTrans, int wigners_idx, ObjexxFCL::FArray3D< std::complex< double > > &signal, int signal_idx)

void	wignerSynthesisSameSign (int m1, int m2, ObjexxFCL::FArray3D< std::complex< double > > &coeffs, int coeffs_idx, utility::vector0< double > &wignersTrans, int wigners_idx, ObjexxFCL::FArray3D< std::complex< double > > &signal, int signal_idx)

void	wignerSynthesisDiffSign (int m1, int m2, ObjexxFCL::FArray3D< std::complex< double > > &coeffs, int coeffs_idx, utility::vector0< double > &wignersTrans, int wigners_idx, ObjexxFCL::FArray3D< std::complex< double > > &signal, int signal_idx, ObjexxFCL::FArray3D< std::complex< double > > &scratch)

Private Attributes
int	bw

Constructor & Destructor Documentation

◆ SO3coeffs()

numeric::fourier::SO3coeffs::SO3coeffs ( )

inline

Constructor.

References bw.

Member Function Documentation

◆ coefLoc()

int numeric::fourier::SO3coeffs::coefLoc	(	int	m1,
		int	m2
	)

References bw, create_a3b_hbs::k, numeric::fourier::local_max(), and max().

Referenced by numeric::fourier::SHT::inverseSo3().

◆ genWigner_ds()

void numeric::fourier::SO3coeffs::genWigner_ds	(	int	m1,
		int	m2,
		utility::vector0< double > const &	cosEval,
		utility::vector0< double > const &	sinEval2,
		utility::vector0< double > const &	cosEval2,
		utility::vector0< double > &	result,
		int	start_idx,
		utility::vector0< double > &	scratch1,
		utility::vector0< double > &	scratch2
	)

References a, docking::a1, docking::a2, ObjexxFCL::abs(), compute_difference::b, docking::b1, bw, kmeans_adaptive_kernel_density_bb_dependent_rotlib::c, create_a3b_hbs::i, create_a3b_hbs::j, extract_by_sidechain_sasa_score::l, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, max(), min(), N, and ObjexxFCL::pow().

Referenced by numeric::fourier::SHT::setup_Wig().

◆ init()

void numeric::fourier::SO3coeffs::init ( int B )

inline

Construct with a given bandwidth, # of radial shells.

References bw.

Referenced by numeric::fourier::SHT::init().

◆ InvLegendre()

void numeric::fourier::SO3coeffs::InvLegendre	(	utility::vector0< double > &	coeffs,
		int	coeffs_idx,
		int	m,
		utility::vector0< double > &	result,
		utility::vector0< double > &	trans_cos_pml,
		utility::vector0< double > &	sin_values,
		utility::vector0< double > &	scratch,
		kiss_dct_cfg	idctPlan
	)

References bw, create_a3b_hbs::i, create_a3b_hbs::j, numeric::fourier::kiss_idct(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, basic::options::OptionKeys::out::path::scratch, and transposeRowSize().

Referenced by numeric::fourier::SHT::inverseS2().

◆ Legendre()

void numeric::fourier::SO3coeffs::Legendre	(	utility::vector0< double > &	data,
		int	coeffs_idx,
		int	m,
		utility::vector0< double > &	result,
		utility::vector0< double > &	cos_pml,
		utility::vector0< double > &	weights,
		utility::vector0< double > &	scratch1,
		utility::vector0< double > &	scratch2,
		kiss_dct_cfg	dctPlan
	)

References bw, data, create_a3b_hbs::i, create_a3b_hbs::j, numeric::fourier::kiss_dct(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, and weights().

Referenced by numeric::fourier::SHT::forwardS2().

◆ lm_index()

int numeric::fourier::SO3coeffs::lm_index	(	int	m,
		int	l
	)

References ObjexxFCL::abs(), bw, extract_by_sidechain_sasa_score::l, and kmeans_adaptive_kernel_density_bb_dependent_rotlib::m.

Referenced by numeric::fourier::SHT::forwardS2(), and numeric::fourier::SHT::so3CombineCoef().

◆ sampLoc()

int numeric::fourier::SO3coeffs::sampLoc	(	int	m1,
		int	m2
	)

References bw.

Referenced by numeric::fourier::SHT::inverseSo3().

◆ transposeRowSize()

int numeric::fourier::SO3coeffs::transposeRowSize	(	int	row,
		int	m
	)

References bw, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, and dummy-distribution::row.

Referenced by InvLegendre(), and numeric::fourier::SHT::setup_Pmls().

◆ wignerSynthesis()

void numeric::fourier::SO3coeffs::wignerSynthesis	(	int	m1,
		int	m2,
		ObjexxFCL::FArray3D< std::complex< double > > &	coeffs,
		int	coeffs_idx,
		utility::vector0< double > &	wignersTrans,
		int	wigners_idx,
		ObjexxFCL::FArray3D< std::complex< double > > &	signal,
		int	signal_idx
	)

References ObjexxFCL::abs(), bw, create_a3b_hbs::i, create_a3b_hbs::j, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, max(), and kmeans_adaptive_kernel_density_bb_dependent_rotlib::n.

Referenced by numeric::fourier::SHT::inverseSo3().

◆ wignerSynthesisDiffSign()

void numeric::fourier::SO3coeffs::wignerSynthesisDiffSign	(	int	m1,
		int	m2,
		ObjexxFCL::FArray3D< std::complex< double > > &	coeffs,
		int	coeffs_idx,
		utility::vector0< double > &	wignersTrans,
		int	wigners_idx,
		ObjexxFCL::FArray3D< std::complex< double > > &	signal,
		int	signal_idx,
		ObjexxFCL::FArray3D< std::complex< double > > &	scratch
	)

References ObjexxFCL::abs(), bw, create_a3b_hbs::i, create_a3b_hbs::j, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, max(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, and basic::options::OptionKeys::out::path::scratch.

Referenced by numeric::fourier::SHT::inverseSo3().

◆ wignerSynthesisSameSign()

void numeric::fourier::SO3coeffs::wignerSynthesisSameSign	(	int	m1,
		int	m2,
		ObjexxFCL::FArray3D< std::complex< double > > &	coeffs,
		int	coeffs_idx,
		utility::vector0< double > &	wignersTrans,
		int	wigners_idx,
		ObjexxFCL::FArray3D< std::complex< double > > &	signal,
		int	signal_idx
	)

References ObjexxFCL::abs(), bw, create_a3b_hbs::i, create_a3b_hbs::j, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, max(), and kmeans_adaptive_kernel_density_bb_dependent_rotlib::n.

Referenced by numeric::fourier::SHT::inverseSo3().

Member Data Documentation

◆ bw

int numeric::fourier::SO3coeffs::bw

private

Referenced by coefLoc(), genWigner_ds(), init(), InvLegendre(), Legendre(), lm_index(), sampLoc(), SO3coeffs(), transposeRowSize(), wignerSynthesis(), wignerSynthesisDiffSign(), and wignerSynthesisSameSign().

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

src/numeric/fourier/SHT.hh
src/numeric/fourier/SHT.cc

Public Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ SO3coeffs()

Member Function Documentation

◆ coefLoc()

◆ genWigner_ds()

◆ init()

◆ InvLegendre()

◆ Legendre()

◆ lm_index()

◆ sampLoc()

◆ transposeRowSize()

◆ wignerSynthesis()

◆ wignerSynthesisDiffSign()

◆ wignerSynthesisSameSign()

Member Data Documentation

◆ bw