#include <StructureScoresFeatures.hh>

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::TagCOP tag, basic::datacache::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, StructureID struct_id, utility::sql_database::sessionOP db_session)
	collect all the feature data for the pose More...

void	delete_record (StructureID struct_id, utility::sql_database::sessionOP db_session)

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

Public Member Functions inherited from protocols::features::FeaturesReporter
	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 &, StructureID, utility::sql_database::sessionOP)
	collect all the feature data for the pose. More...

virtual void	load_into_pose (utility::sql_database::sessionOP, StructureID, core::pose::Pose &)

void	set_relevant_residues_mode (RelevantResiduesMode::T setting)

RelevantResiduesMode::T	get_relevant_residues_mode () const

bool	check_relevant_residues (utility::vector1< bool > const &relevant_residues, core::Size res1) const

bool	check_relevant_residues (utility::vector1< bool > const &relevant_residues, core::Size res1, core::Size res2) const

bool	check_relevant_residues_range (utility::vector1< bool > const &relevant_residues, core::Size res1, core::Size res2) const

bool	check_relevant_residues (utility::vector1< bool > const &relevant_residues, utility::vector1< core::Size > const &residues) const

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, StructureID 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...

Protected Attributes inherited from protocols::features::FeaturesReporter
RelevantResiduesMode::T	relevant_residues_mode_

Constructor & Destructor Documentation

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

References get_score_function().

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

References scfxn_, and utility_exit_with_message.

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

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

virtual

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

References core::conformation::Residue::aa(), aa_vrt, core::pose::Pose::energies(), protocols::features::RelevantResiduesMode::Inclusive, protocols::features::FeaturesReporter::relevant_residues_mode_, core::pose::Pose::residue(), scfxn_, core::scoring::Energies::total_energies(), core::pose::Pose::total_residue(), and protocols::features::TR.

Referenced by insert_structure_score_rows().

void protocols::features::StructureScoresFeatures::delete_record	(	StructureID	struct_id,
		utility::sql_database::sessionOP	db_session
	)

virtual

Reimplemented from protocols::features::FeaturesReporter.

References basic::database::safely_prepare_statement(), and basic::database::safely_write_to_database().

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.

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

References basic::database::insert_statement_generator::InsertGenerator::add_column(), basic::database::insert_statement_generator::InsertGenerator::add_row(), compute_energies(), protocols::features::get_batch_id(), utility::tools::make_vector(), n_score_types, scfxn_, total_score, type, and basic::database::insert_statement_generator::InsertGenerator::write_to_database().

Referenced by report_features().

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

virtual

Reimplemented from protocols::features::FeaturesReporter.

References basic::datacache::DataMap::get(), scfxn_, and type_name().

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