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core::io::raw_data::ScoreMap Class Reference

#include <ScoreMap.hh>

Inheritance diagram for core::io::raw_data::ScoreMap:
Inheritance graph
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Public Member Functions

 ~ScoreMap () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 

Static Public Member Functions

static void score_and_add_energies_to_map (std::map< std::string, core::Real > &score_map, core::scoring::ScoreFunctionCOP score_fxn, core::pose::Pose &pose)
 full atom energies for output More...
 
static std::map< std::string,
core::Real
get_energies_map_from_scored_pose (core::pose::Pose const &pose)
 generates a (nonzero) (weighted) scoremap assuming the pose is already scored (note const w.r.t. pose) More...
 
static std::map< std::string,
std::string > 
get_arbitrary_string_data_from_pose (pose::Pose const &pose)
 Return by value version of extra string data. More...
 
static std::map< std::string,
core::Real
get_arbitrary_score_data_from_pose (pose::Pose const &pose)
 Return by value version of extra score data. More...
 
static void add_energies_data_from_scored_pose (core::pose::Pose const &pose, std::map< std::string, core::Real > &scores)
 Add energies to scores map. More...
 
static void add_arbitrary_string_data_from_pose (core::pose::Pose const &pose, std::map< std::string, std::string > &string_map)
 Add data set as PoseExtraScores (ARBITRARY_STRING_DATA) and SimpleMetrics (SIMPLE_METRIC_DATA). More...
 
static void add_arbitrary_score_data_from_pose (core::pose::Pose const &pose, std::map< std::string, core::Real > &score_map)
 Add data set as PoseExtraScores (ARBITRARY_FLOAT_DATA) and SimpleMetrics (SIMPLE_METRIC_DATA). More...
 
static void print (std::map< std::string, core::Real > const &score_map, std::ostream &out)
 print out the values in the scoremap More...
 

Constructor & Destructor Documentation

core::io::raw_data::ScoreMap::~ScoreMap ( )
overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

Member Function Documentation

void core::io::raw_data::ScoreMap::add_arbitrary_score_data_from_pose ( core::pose::Pose const &  pose,
std::map< std::string, core::Real > &  score_map 
)
static
void core::io::raw_data::ScoreMap::add_arbitrary_string_data_from_pose ( core::pose::Pose const &  pose,
std::map< std::string, std::string > &  string_map 
)
static
void core::io::raw_data::ScoreMap::add_energies_data_from_scored_pose ( core::pose::Pose const &  pose,
std::map< std::string, core::Real > &  scores 
)
static
std::map< std::string, core::Real > core::io::raw_data::ScoreMap::get_arbitrary_score_data_from_pose ( pose::Pose const &  pose)
static

Return by value version of extra score data.

Get data set as PoseExtraScores (ARBITRARY_FLOAT_DATA) and SimpleMetrics (SIMPLE_METRIC_DATA).

References add_arbitrary_score_data_from_pose().

Referenced by core::io::pose_to_sfr::PoseToStructFileRepConverter::grab_pose_cache_data().

std::map< std::string, std::string > core::io::raw_data::ScoreMap::get_arbitrary_string_data_from_pose ( pose::Pose const &  pose)
static

Return by value version of extra string data.

Get data set as PoseExtraScores (ARBITRARY_STRING_DATA) and SimpleMetrics (SIMPLE_METRIC_DATA).

References add_arbitrary_string_data_from_pose().

Referenced by core::io::pose_to_sfr::PoseToStructFileRepConverter::grab_pose_cache_data().

std::map< std::string, core::Real > core::io::raw_data::ScoreMap::get_energies_map_from_scored_pose ( core::pose::Pose const &  pose)
static

generates a (nonzero) (weighted) scoremap assuming the pose is already scored (note const w.r.t. pose)

References add_energies_data_from_scored_pose().

Referenced by protocols::canonical_sampling::PDBTrajectoryRecorder::write_model().

void core::io::raw_data::ScoreMap::print ( std::map< std::string, core::Real > const &  score_map,
std::ostream &  out 
)
static
void core::io::raw_data::ScoreMap::score_and_add_energies_to_map ( std::map< std::string, core::Real > &  score_map,
core::scoring::ScoreFunctionCOP  score_fxn,
core::pose::Pose pose 
)
static

full atom energies for output

Scores and grabs (nonzero, weighted) energies map.

Score output helper functions

creates a list of non zero weighted energies and adds them to the score_file information that is to be written out at the end of the protocol.

References add_energies_data_from_scored_pose().

Referenced by protocols::relax::ClassicRelax::apply().


The documentation for this class was generated from the following files: