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

#include <ScoreMap.hh>

Inheritance diagram for core::io::raw_data::ScoreMap:

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

~ScoreMap()

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

overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

Member Function Documentation

add_arbitrary_score_data_from_pose()

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

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

References core::pose::datacache::CacheableDataType::ARBITRARY_FLOAT_DATA, core::pose::Pose::data(), core::scoring::pair, and core::pose::datacache::CacheableDataType::SIMPLE_METRIC_DATA.

Referenced by core::io::silent::SilentStruct::energies_from_pose(), get_arbitrary_score_data_from_pose(), protocols::jd2::FileJobOutputter::scorefile(), and protocols::jd3::pose_outputters::ScoreFileOutputter::write_output().

add_arbitrary_string_data_from_pose()

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

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

References protocols::cluster::calibur::aa, core::pose::datacache::CacheableDataType::ARBITRARY_STRING_DATA, core::pose::Pose::data(), core::scoring::pair, core::pose::datacache::CacheableDataType::SIMPLE_METRIC_DATA, and core::id::to_string().

Referenced by core::io::silent::SilentStruct::energies_from_pose(), get_arbitrary_string_data_from_pose(), protocols::jd2::FileJobOutputter::scorefile(), and protocols::jd3::pose_outputters::ScoreFileOutputter::write_output().

add_energies_data_from_scored_pose()

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

Add energies to scores map.

References core::pose::Pose::energies(), core::scoring::n_score_types, core::scoring::name_from_score_type(), protocols::analysis::total, core::scoring::Energies::total_energies(), core::scoring::total_score, and core::scoring::Energies::weights().

Referenced by protocols::docking::DockingProtocol::apply(), protocols::symmetric_docking::SymDockProtocol::apply(), protocols::antibody_legacy::AntibodyModeler::apply(), protocols::ub_e2c::ubi_e2c_modeler::apply(), protocols::simple_moves::ScoreMover::apply(), get_energies_map_from_scored_pose(), protocols::ub_e2c::ubi_e2c_modeler::monoub_apply(), score_and_add_energies_to_map(), protocols::jd2::FileJobOutputter::scorefile(), and protocols::jd3::pose_outputters::ScoreFileOutputter::write_output().

get_arbitrary_score_data_from_pose()

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().

get_arbitrary_string_data_from_pose()

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().

get_energies_map_from_scored_pose()

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().

print()

void core::io::raw_data::ScoreMap::print ( std::map< std::string, core::Real > const &  score_map, std::ostream &  out  )

static

print out the values in the scoremap

print out the contents of the ScoreMap

References protocols::comparative_modeling::features::A, core::chemical::element::F, core::conformation::membrane::out, core::scoring::pair, and core::io::raw_data::precision().

Referenced by protocols::simple_moves::ScoreMover::apply().

score_and_add_energies_to_map()

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:

• src/core/io/raw_data/ScoreMap.hh
• src/core/io/raw_data/ScoreMap.cc