test_leerichards.cc File Reference

#include <core/types.hh>
#include <devel/init.hh>
#include <basic/options/option.hh>
#include <core/pose/Pose.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/packstat/types.hh>
#include <core/scoring/packstat/PackingScore.hh>
#include <core/scoring/packstat/compute_sasa.hh>
#include <core/scoring/packstat/LeeRichards.hh>
#include <core/scoring/packstat/AtomRadiusMap.hh>
#include <core/scoring/packstat/SimplePDB.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <core/kinematics/MoveMap.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <utility/file/file_sys_util.hh>
#include <numeric/xyz.io.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/random/random.hh>
#include <core/scoring/rms_util.hh>
#include <time.h>
#include <pthread.h>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/packstat.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>

Classes
struct	WorkDat

Functions
void	init_myuniform ()
Real	myuniform ()
numeric::xyzVector< Real >	randvec ()
numeric::xyzMatrix< Real >	rand_rot ()
Real	get_dots_area (core::scoring::packstat::Spheres spheres, Real probe_radius, Size N=10, bool csa=false)
void	test_known_value ()
void	test_vs_dots (std::string fname)
void *	do_work (void *dat)
void	test (std::string fname)
int	main (int argc, char *argv[])

Variables
vector1< Real >	uniforms
std::map< std::string, utility::io::ozstream * >	outs

Function Documentation

do_work()

void* do_work

(

void *

dat

)

References WorkDat::accum, compute_difference::alpha, WorkDat::alpha, utility::io::oc::cerr, utility::io::oc::cout, hist2d::dat, beta_nonlocal::pose, WorkDat::pose, WorkDat::pri, randvec(), basic::options::OptionKeys::frags::scoring::scoring, WorkDat::spacing, basic::options::OptionKeys::mp::visualize::spacing, and predPRE::t.

Referenced by test().

get_dots_area()

Real get_dots_area	(	core::scoring::packstat::Spheres	spheres,
		Real	probe_radius,
		Size	N = 10,
		bool	csa = false
	)

References create_a3b_hbs::i, N, bur_nodon_tyr::probe_radius, rand_rot(), rot, and docking::s.

Referenced by test_known_value().

init_myuniform()

void init_myuniform

(

)

References uniforms.

Referenced by test().

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, test.T009_Exceptions::e, PREcst::fname, create_a3b_hbs::i, basic::init(), subloop_histogram::iterator, in::file::l(), basic::options::OptionKeys::in::file::list, option, outs, in::file::s(), test(), and basic::options::OptionKeys::inout::dbms::user.

myuniform()

Real myuniform

(

)

References uniforms.

Referenced by randvec().

rand_rot()

numeric::xyzMatrix<Real> rand_rot

(

)

References numeric::xyzVector< T >::length(), numeric::NumericTraits< T >::pi(), and numeric::random::uniform().

Referenced by get_dots_area().

randvec()

numeric::xyzVector<Real> randvec

(

)

References myuniform(), and basic::options::OptionKeys::in::file::xyz.

Referenced by do_work(), test(), and test_vs_dots().

test()

void test

(

std::string

fname

)

References WorkDat::accum, compute_difference::alpha, WorkDat::alpha, utility::io::oc::cerr, detail::check(), utility::io::oc::cout, do_work(), utility::file::file_exists(), PREcst::fname, create_a3b_hbs::i, basic::options::OptionKeys::in::in, init_myuniform(), num_threads(), basic::options::option, option, outs, kic_runner::pdb, beta_nonlocal::pose, WorkDat::pose, pyrosetta.distributed.io::pose_from_file, spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::pr, basic::options::OptionKeys::out::prefix, WorkDat::pri, randvec(), basic::options::OptionKeys::frags::scoring::scoring, basic::options::OptionKeys::sc::sep, WorkDat::spacing, basic::options::OptionKeys::mp::visualize::spacing, predPRE::t, and basic::options::OptionKeys::gpu::threads.

Referenced by main().

test_known_value()

void test_known_value

(

)

References utility::io::oc::cerr, get_dots_area(), create_a3b_hbs::i, create_a3b_hbs::j, create_a3b_hbs::k, beta_nonlocal::pose, spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::pr, and basic::options::OptionKeys::frags::scoring::scoring.

test_vs_dots()

void test_vs_dots

(

std::string

fname

)

References utility::io::oc::cerr, PREcst::fname, create_a3b_hbs::i, basic::options::OptionKeys::in::in, create_a3b_hbs::j, kic_runner::pdb, beta_nonlocal::pose, randvec(), and basic::options::OptionKeys::frags::scoring::scoring.

Variable Documentation

outs

std::map<std::string,utility::io::ozstream*> outs

Referenced by main(), and test().

uniforms

vector1<Real> uniforms

Referenced by init_myuniform(), and myuniform().