windowed_rmsd.cc File Reference

#include <iostream>
#include <string>
#include <basic/options/option.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/evaluation.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <devel/init.hh>
#include <utility/vector1.hh>
#include <core/types.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/rms_util.hh>

Functions
void	check_lengths (PoseCOP reference, const vector1< PoseCOP > &models)
	@detail Ensure that the lengths of the models to evaluate match the reference More...
void	compute_windowed_rmsd (const Pose &reference, const Pose &model, Size window, vector1< Real > *rmsds)
void	show (const string &filename, const vector1< Real > &rmsds)
int	main (int argc, char *argv[])

Detailed Description

Author

Christopher Miles (cmile.nosp@m.s@uw.nosp@m..edu)

Function Documentation

check_lengths()

void check_lengths	(	PoseCOP	reference,
		const vector1< PoseCOP > &	models
	)

@detail Ensure that the lengths of the models to evaluate match the reference

References utility::io::oc::cerr, create_a3b_hbs::i, kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, closure_error::models, kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, closure_error::reference, and utility_exit_with_message.

Referenced by main().

compute_windowed_rmsd()

void compute_windowed_rmsd	(	const Pose &	reference,
		const Pose &	model,
		Size	window,
		vector1< Real > *	rmsds
	)

References create_a3b_hbs::k, closure_error::model, kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, closure_error::reference, residue, and legacy_score_vs_rmsd::rmsds.

Referenced by main().

main()

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

References argv, check_lengths(), compute_windowed_rmsd(), utility::io::oc::cout, test.T009_Exceptions::e, lactamize::filename, create_a3b_hbs::i, basic::init(), closure_error::model, closure_error::models, basic::options::OptionKeys::in::file::native, basic::options::option, pyrosetta.distributed.io::pose_from_file, closure_error::reference, legacy_score_vs_rmsd::rmsds, basic::options::OptionKeys::in::file::s, show(), and basic::options::OptionKeys::evaluation::window_size.

show()

void show	(	const string &	filename,
		const vector1< Real > &	rmsds
	)

References utility::io::oc::cout, lactamize::filename, create_a3b_hbs::i, and legacy_score_vs_rmsd::rmsds.

Referenced by DesignGlycansProtocol::apply(), GlycomutagenesisProtocol::apply(), DockGlycansProtocol::apply(), percent_subangstrom::compare_benchmarks(), double_helix_test(), helix_ST(), main(), MC_run(), minimize_and_score(), one_chain_MC_sampling(), one_chain_ST_MC(), pdb_scoring(), pointGroupHit::show(), DesignGlycansProtocol::show(), GlycomutagenesisProtocol::show(), DockGlycansProtocol::show(), GlycanClashCheckMover::show(), and pyrosetta.tests.distributed.test_viewer.TestViewer::test_viewer_with_poses().