atom_tree_diff.hh File Reference

#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <utility/VirtualBase.hh>
#include <utility/vector1.hh>
#include <fstream>
#include <map>

Classes
class	core::import_pose::atom_tree_diffs::AtomTreeDiff
	An object wrapper for reading atom_tree_diff files, complete with embedded reference structures. More...

Namespaces
	core
	A class for reading in the atom type properties.
	core::import_pose
	core::import_pose::atom_tree_diffs

Typedefs
typedef utility::pointer::shared_ptr< AtomTreeDiff >	core::import_pose::atom_tree_diffs::AtomTreeDiffOP
typedef utility::pointer::shared_ptr< AtomTreeDiff const >	core::import_pose::atom_tree_diffs::AtomTreeDiffCOP
typedef std::pair< std::string, core::Real >	core::import_pose::atom_tree_diffs::ScorePair
typedef std::map< std::string, core::Real >	core::import_pose::atom_tree_diffs::Scores
typedef std::pair< std::string, Scores >	core::import_pose::atom_tree_diffs::ScoresPair
typedef utility::vector1< ScoresPair >	core::import_pose::atom_tree_diffs::ScoresPairList
typedef std::pair< std::string, int >	core::import_pose::atom_tree_diffs::RefTag
typedef std::map< std::string, int >	core::import_pose::atom_tree_diffs::RefTags
typedef std::pair< std::string, Size >	core::import_pose::atom_tree_diffs::TagScorePair
typedef std::map< std::string, Size >	core::import_pose::atom_tree_diffs::TagScoreMap

Functions
void	core::import_pose::atom_tree_diffs::dump_score_line (std::ostream &out, std::string const &pose_tag, std::map< std::string, core::Real > const &scores)
	Helper function for writing entries – not usually called by clients. More...
void	core::import_pose::atom_tree_diffs::dump_reference_pose (std::ostream &out, std::string const &pose_tag, std::map< std::string, core::Real > const &scores, core::pose::Pose const &pose)
	Helper function for writing entries – not usually called by clients. More...
void	core::import_pose::atom_tree_diffs::dump_atom_tree_diff (std::ostream &out, std::string const &pose_tag, std::map< std::string, core::Real > const &scores, core::pose::Pose const &ref_pose_in, core::pose::Pose const &pose, int bb_precision=6, int sc_precision=4, int bondlen_precision=2)
	Encodes pose relative to ref_pose by noting which atom_tree DOFs are different. More...
bool	core::import_pose::atom_tree_diffs::header_from_atom_tree_diff (std::istream &in, std::string &pose_tag_out, std::map< std::string, core::Real > &scores_out)
	Gets next tag and scores from the stream, or returns false if none. Call this to find desired structure, then call pose_from_atom_tree_diff(). More...
bool	core::import_pose::atom_tree_diffs::pose_from_atom_tree_diff (std::istream &in, core::pose::Pose const &ref_pose, core::pose::Pose &pose)
	Sets pose = ref_pose and then starts modifying DOFs in pose to recreate a saved structure. Call after header_from_atom_tree_diff(). Returns false on error. More...
void	core::import_pose::atom_tree_diffs::map_of_weighted_scores (core::pose::Pose &pose, core::scoring::ScoreFunction const &sfxn, std::map< std::string, core::Real > &scores_out)
	Helper for dump_atom_tree_diff(), fills map with weighted score terms. More...
void	core::import_pose::atom_tree_diffs::rms_error_with_noise (core::pose::Pose const &ref_pose, int bb_precision=6, int sc_precision=4)
	For use in deciding how many digits of precision you need when diffing an atom tree. More...
bool	core::import_pose::atom_tree_diffs::file_is_atom_tree_diff (std::string const &filename)
	Test if given file is an atom_tree_diff. More...
bool	core::import_pose::atom_tree_diffs::file_is_atom_tree_diff (std::istream &in)
	Test if given stream is an atom_tree_diff. More...