protocols::jd2::ScoreMap Class Reference

#include <ScoreMap.hh>

Inheritance diagram for protocols::jd2::ScoreMap:

Collaboration diagram for protocols::jd2::ScoreMap:

Public Member Functions
virtual	~ScoreMap ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...

Static Public Member Functions
static void	nonzero_energies (std::map< std::string, core::Real > &score_map, core::scoring::ScoreFunctionOP score_fxn, core::pose::Pose &pose)
	full atom energies for output More...
static void	score_map_from_scored_pose (std::map< std::string, core::Real > &score_map, core::pose::Pose const &pose)
	generates a scoremap assuming the pose is already scored (note const w.r.t. pose) More...
static std::map< std::string, core::Real >	score_map_from_scored_pose (core::pose::Pose const &pose)
	return-by-value version of score_map_from_scored_pose More...
static void	print (std::map< std::string, core::Real > &score_map, std::ostream &out)
	print out the values in the scoremap More...

Detailed Description

Definition at line 31 of file ScoreMap.hh.

Constructor & Destructor Documentation

protocols::jd2::ScoreMap::~ScoreMap ( )

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

Definition at line 36 of file ScoreMap.cc.

Member Function Documentation

void protocols::jd2::ScoreMap::nonzero_energies ( std::map< std::string, core::Real > &  score_map, core::scoring::ScoreFunctionOP  score_fxn, core::pose::Pose &  pose  )

static

full atom energies for output

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.

Definition at line 44 of file ScoreMap.cc.

Referenced by protocols::ub_e2c::ubi_e2c_modeler::apply(), protocols::antibody::AntibodyModeler::apply(), protocols::simple_moves::ScoreMover::apply(), protocols::relax::ClassicRelax::apply(), protocols::symmetric_docking::SymDockProtocol::apply(), and protocols::ub_e2c::ubi_e2c_modeler::monoub_apply().

void protocols::jd2::ScoreMap::print ( std::map< std::string, core::Real > &  score_map, std::ostream &  out  )

static

print out the values in the scoremap

print out the contents of the ScoreMap

Definition at line 93 of file ScoreMap.cc.

References protocols::comparative_modeling::features::A, core::scoring::pair, and core::io::raw_data::precision().

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

void protocols::jd2::ScoreMap::score_map_from_scored_pose ( std::map< std::string, core::Real > &  score_map, core::pose::Pose const &  pose  )

static

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

creates score map from scored pdb; const so it can be used in job distributor

Definition at line 59 of file ScoreMap.cc.

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

Referenced by protocols::docking::DockingProtocol::apply(), protocols::jd2::FileJobOutputter::scorefile(), and protocols::canonical_sampling::PDBTrajectoryRecorder::write_model().

std::map< std::string, core::Real > protocols::jd2::ScoreMap::score_map_from_scored_pose ( core::pose::Pose const &  pose)

static

return-by-value version of score_map_from_scored_pose

Definition at line 84 of file ScoreMap.cc.

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

• src/protocols/jd2/ScoreMap.hh
• src/protocols/jd2/ScoreMap.cc