#include <StructureScoresFeatures.hh>

Inheritance diagram for protocols::features::StructureScoresFeatures:

Collaboration diagram for protocols::features::StructureScoresFeatures:

Public Member Functions
	StructureScoresFeatures ()

	StructureScoresFeatures (core::scoring::ScoreFunctionOP scfxn)

	StructureScoresFeatures (StructureScoresFeatures const &src)

virtual	~StructureScoresFeatures ()

std::string	type_name () const
	return string with class name More...

virtual void	write_schema_to_db (utility::sql_database::sessionOP db_session) const
	generate the table schemas and write them to the database More...

utility::vector1< std::string >	features_reporter_dependencies () const
	return the set of features reporters that are required to also already be extracted by the time this one is used. More...

void	parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &data, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)

void	compute_energies (core::pose::Pose const &pose_in, utility::vector1< bool > const &relevant_residues, core::scoring::EnergyMap &emap) const

core::Size	report_features (core::pose::Pose const &pose, utility::vector1< bool > const &relevant_residues, boost::uuids::uuid struct_id, utility::sql_database::sessionOP db_session)
	collect all the feature data for the pose More...

void	delete_record (boost::uuids::uuid struct_id, utility::sql_database::sessionOP db_session)

void	insert_structure_score_rows (core::pose::Pose const &pose, utility::vector1< bool > const &relevant_residues, boost::uuids::uuid struct_id, utility::sql_database::sessionOP db_session) const

Public Member Functions inherited from protocols::features::FeaturesReporter
virtual	~FeaturesReporter ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...

virtual std::string	schema () const
	return sql statements that sets up the appropriate tables to contain the features. This should be removed once everything has been moved to the schema generator More...

core::Size	report_features (core::pose::Pose const &, boost::uuids::uuid, utility::sql_database::sessionOP)
	collect all the feature data for the pose. More...

virtual void	load_into_pose (utility::sql_database::sessionOP, boost::uuids::uuid, core::pose::Pose &)

Private Attributes
core::scoring::ScoreFunctionOP	scfxn_

Additional Inherited Members
Protected Member Functions inherited from protocols::features::FeaturesReporter
std::string	find_tag (core::pose::Pose const &pose) const

void	delete_records_from_table (std::string const &table_name, boost::uuids::uuid struct_id, utility::sql_database::sessionOP db_session)
	a helper function for deleting data associated with a given structure from feature database WARNING table_name must be sanitized! More...

Detailed Description

Definition at line 44 of file StructureScoresFeatures.hh.

Constructor & Destructor Documentation

protocols::features::StructureScoresFeatures::StructureScoresFeatures ( )

Definition at line 100 of file StructureScoresFeatures.cc.

protocols::features::StructureScoresFeatures::StructureScoresFeatures ( core::scoring::ScoreFunctionOP scfxn)

protocols::features::StructureScoresFeatures::StructureScoresFeatures ( StructureScoresFeatures const & src)

Definition at line 114 of file StructureScoresFeatures.cc.

protocols::features::StructureScoresFeatures::~StructureScoresFeatures ( )

virtual

Definition at line 121 of file StructureScoresFeatures.cc.

Member Function Documentation

void protocols::features::StructureScoresFeatures::compute_energies	(	core::pose::Pose const &	pose_in,
		utility::vector1< bool > const &	relevant_residues,
		core::scoring::EnergyMap &	emap
	)		const

Definition at line 222 of file StructureScoresFeatures.cc.

References core::conformation::Residue::aa(), core::chemical::aa_vrt, core::pose::Pose::energies(), core::pose::Pose::residue(), scfxn_, core::scoring::Energies::total_energies(), and core::pose::Pose::total_residue().

Referenced by insert_structure_score_rows().

void protocols::features::StructureScoresFeatures::delete_record	(	boost::uuids::uuid	struct_id,
		utility::sql_database::sessionOP	db_session
	)

virtual

Reimplemented from protocols::features::FeaturesReporter.

Definition at line 209 of file StructureScoresFeatures.cc.

utility::vector1< std::string > protocols::features::StructureScoresFeatures::features_reporter_dependencies ( ) const

virtual

return the set of features reporters that are required to also already be extracted by the time this one is used.

Reimplemented from protocols::features::FeaturesReporter.

Definition at line 169 of file StructureScoresFeatures.cc.

void protocols::features::StructureScoresFeatures::insert_structure_score_rows	(	core::pose::Pose const &	pose,
		utility::vector1< bool > const &	relevant_residues,
		boost::uuids::uuid	struct_id,
		utility::sql_database::sessionOP	db_session
	)		const

Definition at line 261 of file StructureScoresFeatures.cc.

References compute_energies(), protocols::features::get_batch_id(), core::scoring::n_score_types, scfxn_, and core::scoring::total_score.

Referenced by report_features().

void protocols::features::StructureScoresFeatures::parse_my_tag	(	utility::tag::TagPtr const	tag,
		protocols::moves::DataMap &	data,
		protocols::filters::Filters_map const &	,
		protocols::moves::Movers_map const &	,
		core::pose::Pose const &
	)

virtual

Reimplemented from protocols::features::FeaturesReporter.

Definition at line 177 of file StructureScoresFeatures.cc.

References protocols::moves::DataMap::get(), scfxn_, and type_name().

Size protocols::features::StructureScoresFeatures::report_features	(	core::pose::Pose const &	pose,
		utility::vector1< bool > const &	relevant_residues,
		boost::uuids::uuid	struct_id,
		utility::sql_database::sessionOP	db_session
	)