Rosetta 3.4
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src/core/import_pose/atom_tree_diffs/atom_tree_diff.hh File Reference
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <fstream>
#include <map>
#include <utility/vector1.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

namespace  core
 

A class for defining atom parameters, known as atom_types.


namespace  core::import_pose
namespace  core::import_pose::atom_tree_diffs

Typedefs

typedef
utility::pointer::owning_ptr
< AtomTreeDiff > 
core::import_pose::atom_tree_diffs::AtomTreeDiffOP
typedef
utility::pointer::owning_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.
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.
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.
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().
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.
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.
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.
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.
bool core::import_pose::atom_tree_diffs::file_is_atom_tree_diff (std::istream &in)
 Test if given stream is an atom_tree_diff.
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