numeric::UniformRotationSampler Class Reference

#include <UniformRotationSampler.hh>

Public Member Functions
Size	nrots () const
void	get (Size ii, numeric::xyzMatrix< Real > &R) const
void	generateIcosahedralSamples (utility::vector1< numeric::xyzVector< Real > > &ico, Size nsub)
	UniformRotationSampler (Real theta)
void	remove_redundant (numeric::xyzMatrix< numeric::Real > R0)

Private Attributes
utility::vector1< urs_Quat >	rotlist_
Real	theta_

Constructor & Destructor Documentation

UniformRotationSampler()

numeric::UniformRotationSampler::UniformRotationSampler ( Real  theta )

inline

References demo.D060_Folding::counter, test.T009_Exceptions::e, generateIcosahedralSamples(), create_a3b_hbs::i, enumerate_junctions::int, create_a3b_hbs::j, oop_conformations::phi, numeric::constants::d::pi, pi, oop_conformations::psi, rotlist_, theta_, w, x, predPRE::y, and predPRE::z.

Member Function Documentation

generateIcosahedralSamples()

void numeric::UniformRotationSampler::generateIcosahedralSamples ( utility::vector1< numeric::xyzVector< Real > > &  ico, Size  nsub  )

inline

References a, test.T400_Refinement::ab, compute_difference::b, kmeans_adaptive_kernel_density_bb_dependent_rotlib::c, create_a3b_hbs::i, enumerate_junctions::int, create_a3b_hbs::j, create_a3b_hbs::k, numeric::xyzVector< T >::length(), make_symmdef_file_denovo::nsub, oop_conformations::phi, numeric::constants::d::pi, and pi.

Referenced by UniformRotationSampler().

get()

void numeric::UniformRotationSampler::get ( Size  ii, numeric::xyzMatrix< Real > &  R  ) const

inline

References create_a3b_hbs::ii, docking::R, rotlist_, and numeric::xyzMatrix< T >::rows().

Referenced by CrystFFTDock::apply(), CrystFFTDock::dump_transformed_pdb(), CrystFFTDock::get_transform_distance(), InterfaceHit::to_string(), and CrystFFTDock::transform_pdb().

nrots()

Size numeric::UniformRotationSampler::nrots ( ) const

inline

References rotlist_.

Referenced by CrystFFTDock::apply().

remove_redundant()

void numeric::UniformRotationSampler::remove_redundant ( numeric::xyzMatrix< numeric::Real >  R0 )

inline

References create_a3b_hbs::i, enumerate_junctions::int, numeric::inverse(), create_a3b_hbs::j, rotlist_, theta_, and numeric::urs_R2ang().

Referenced by CrystFFTDock::apply().

Member Data Documentation

rotlist_

utility::vector1< urs_Quat > numeric::UniformRotationSampler::rotlist_

private

Referenced by get(), nrots(), remove_redundant(), and UniformRotationSampler().

theta_

Real numeric::UniformRotationSampler::theta_

private

Referenced by remove_redundant(), and UniformRotationSampler().

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

• src/numeric/UniformRotationSampler.hh