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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 <fstream>
#include <map>
#include <utility/vector1.fwd.hh>

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...