test_gradient.cc File Reference

#include <basic/options/keys/holes.OptionKeys.gen.hh>

Functions
vector1< Real >	get_area (vector1< Ball > const &balls)
Real	get_area_tot (vector1< Ball > const &balls)
vector1< xyzVector< Real > >	get_deriv (vector1< Ball > const &balls)
void	test_deriv (Real d, Real &max_mag_diff, Real &max_frac_diff)
numeric::xyzVector< Real >	get_numeric_deriv (id::AtomID aid, pose::Pose &pose, PoseBalls &pb, HolesParams &params, Real score0)
void	test_deriv_pose (pose::Pose &pose)
core::Real	balls_rms (PoseBalls &a, PoseBalls &b)
void	balls_pdb (PoseBalls &pb, std::string fname)
void	test_gradient ()

Function Documentation

balls_pdb()

void balls_pdb	(	PoseBalls &	pb,
		std::string	fname
	)

References ObjexxFCL::format::F(), PREcst::fname, create_a3b_hbs::i, test.T110_numeric::I, min(), and erraser_single_res_analysis::out.

balls_rms()

core::Real balls_rms	(	PoseBalls &	a,
		PoseBalls &	b
	)

References a, compute_difference::b, create_a3b_hbs::i, and numeric::model_quality::rms_wrapper().

Referenced by test_gradient().

get_area()

vector1<Real> get_area

(

vector1< Ball > const &

balls

)

References a, basic::options::OptionKeys::holes::dalphaball, create_a3b_hbs::i, subloop_histogram::iterator, and basic::options::option.

Referenced by get_area_tot().

get_area_tot()

Real get_area_tot

(

vector1< Ball > const &

balls

)

References get_area(), create_a3b_hbs::i, and sum().

Referenced by test_deriv().

get_deriv()

vector1<xyzVector<Real> > get_deriv

(

vector1< Ball > const &

balls

)

References a, basic::options::OptionKeys::holes::dalphaball, 3d_histogram::dx, 3d_histogram::dy, 3d_histogram::dz, create_a3b_hbs::i, subloop_histogram::iterator, and basic::options::option.

Referenced by test_deriv().

get_numeric_deriv()

numeric::xyzVector<Real> get_numeric_deriv	(	id::AtomID	aid,
		pose::Pose &	pose,
		PoseBalls &	pb,
		HolesParams &	params,
		Real	score0
	)

References get_holes_score(), ndx, basic::options::OptionKeys::dna::specificity::params, beta_nonlocal::pose, and score0.

Referenced by test_deriv_pose().

test_deriv()

void test_deriv	(	Real	d,
		Real &	max_mag_diff,
		Real &	max_frac_diff
	)

References utility::io::oc::cout, numeric::random::gaussian(), get_area_tot(), get_deriv(), create_a3b_hbs::i, and oop_conformations::length.

test_deriv_pose()

void test_deriv_pose

(

pose::Pose &

pose

)

References utility::io::oc::cerr, utility::io::oc::cout, get_holes_score(), get_numeric_deriv(), create_a3b_hbs::i, enumerate_junctions::int, oop_conformations::length, basic::options::OptionKeys::dna::specificity::params, beta_nonlocal::pose, create_a3b_hbs::r, and score0.

test_gradient()

void test_gradient

(

)

References compute_difference::b, balls_rms(), utility::io::oc::cerr, pyrosetta.distributed.cluster.base::G, get_holes_score(), min(), basic::options::OptionKeys::dna::specificity::params, kic_runner::pdb, beta_nonlocal::pose, and pyrosetta.distributed.io::pose_from_file.