get_info.cc File Reference

#include <core/types.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/id/NamedAtomID.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <devel/init.hh>
#include <core/options/option.hh>
#include <core/util/Tracer.hh>
#include <core/util/datacache/BasicDataCache.hh>
#include <core/util/datacache/CacheableString.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/io/pose_stream/PoseInputStream.fwd.hh>
#include <core/io/pose_stream/PDBPoseInputStream.hh>
#include <core/io/pose_stream/SilentFilePoseInputStream.hh>
#include <utility/io/ozstream.hh>
#include <utility/exit.hh>
#include <protocols/jumping/Dssp.hh>
#include <protocols/viewer/viewers.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include <core/options/option_macros.hh>
#include <core/options/keys/in.OptionKeys.gen.hh>
#include <core/options/keys/out.OptionKeys.gen.hh>
#include <core/options/keys/score.OptionKeys.gen.hh>
#include <numeric/xyzVector.hh>
#include <string>

Functions
void	save_ss_info (FArray2D< Real > &ds, pose::Pose &pose)
void	save_contact_info (FArray2D< Real > &ds, pose::Pose &pose)
void	normalize_info (FArray2D< Real > &ds, Size const count)
void	output_ss_info (FArray2D< Real > &ds, utility::io::ozstream &out)
void	output_native_ss_info (pose::Pose &pose, utility::io::ozstream &out)
void	output_contact_info (FArray2D< Real > &dc, utility::io::ozstream &out, std::string const tag="DC")
void	output_csts (FArray2D< Real > &dc, utility::io::ozstream &out)
void	get_info_test ()
void *	my_main (void *)
int	main (int argc, char *argv[])

Variables
Distance const	DIST_CUTOFF = 9.0
Distance const	FADE = 4.0

Function Documentation

get_info_test()

void get_info_test

(

)

References basic::options::OptionKeys::chemical::chemical, count, basic::options::OptionKeys::dc::dc, ObjexxFCL::FArray2D< T >::dimension(), gaussian-sampling::input, in::file::native(), normalize_info(), create_a3b_hbs::nres, out::file::o(), option, erraser_single_res_analysis::out, lactamize::outfile, output_contact_info(), output_csts(), output_native_ss_info(), output_ss_info(), beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, out::file::residue_type_set(), in::file::s(), save_contact_info(), save_ss_info(), in::file::silent(), in::file::tags(), basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.

Referenced by my_main().

main()

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

References argv, test.T009_Exceptions::e, utility::options::OptionKeys::options::exit, basic::init(), my_main(), NEW_OPT, and viewer_main().

my_main()

void* my_main

(

void *

)

References utility::options::OptionKeys::options::exit, and get_info_test().

Referenced by main().

normalize_info()

void normalize_info	(	FArray2D< Real > &	ds,
		Size const	count
	)

References count, create_a3b_hbs::i, create_a3b_hbs::j, ObjexxFCL::FArray2< T >::size1(), and ObjexxFCL::FArray2D< T >::size2().

Referenced by get_info_test().

output_contact_info()

void output_contact_info	(	FArray2D< Real > &	dc,
		utility::io::ozstream &	out,
		std::string const	tag = "DC"
	)

References basic::options::OptionKeys::dc::dc, create_a3b_hbs::i, create_a3b_hbs::j, and tag.

Referenced by get_info_test().

output_csts()

void output_csts	(	FArray2D< Real > &	dc,
		utility::io::ozstream &	out
	)

References basic::options::OptionKeys::dc::dc, DIST_CUTOFF, ObjexxFCL::format::F(), FADE, create_a3b_hbs::i, test.T110_numeric::I, create_a3b_hbs::j, and option.

Referenced by get_info_test().

output_native_ss_info()

void output_native_ss_info	(	pose::Pose &	pose,
		utility::io::ozstream &	out
	)

References create_a3b_hbs::i, and beta_nonlocal::pose.

Referenced by get_info_test().

output_ss_info()

void output_ss_info	(	FArray2D< Real > &	ds,
		utility::io::ozstream &	out
	)

References create_a3b_hbs::i, and ObjexxFCL::FArray2< T >::size1().

Referenced by get_info_test().

save_contact_info()

void save_contact_info	(	FArray2D< Real > &	ds,
		pose::Pose &	pose
	)

References DIST_CUTOFF, basic::options::OptionKeys::mp::scoring::hbond, test.T200_Scoring::hbond_set, create_a3b_hbs::i, create_a3b_hbs::j, oop_conformations::length, beta_nonlocal::pose, oop_conformations::scorefxn, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by get_info_test().

save_ss_info()

void save_ss_info	(	FArray2D< Real > &	ds,
		pose::Pose &	pose
	)

References create_a3b_hbs::i, and beta_nonlocal::pose.

Referenced by get_info_test().

Variable Documentation

DIST_CUTOFF

Distance const DIST_CUTOFF = 9.0

Referenced by aro_pack_pdbstats_from_pose(), check_contact(), check_hydrophobic_contact(), check_steric_overlap(), fa_cenpack_pdbstats_from_pose(), mg_pdbstats_from_pose(), output_csts(), proline_rama_pdbstats_from_pose(), rna_stack_pdbstats_from_pose(), save_contact_info(), and search_other_atoms().

FADE

Distance const FADE = 4.0

Referenced by output_csts().