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protocols::features Namespace Reference

Namespaces

 helixAssembly
 
 RelevantResiduesMode
 
 strand_assembly
 

Classes

class  AtomAtomPairFeatures
 
class  AtomAtomPairFeaturesCreator
 creator for the AtomAtomPairFeatures class More...
 
class  AtomInResidueAtomInResiduePairFeatures
 
class  AtomInResidueAtomInResiduePairFeaturesCreator
 creator for the AtomInResidueAtomInResiduePairFeatures class More...
 
class  AtomTypesFeatures
 
class  AtomTypesFeaturesCreator
 creator for the AtomTypesFeatures class More...
 
class  BatchFeatures
 
class  BetaTurnDetection
 
class  BetaTurnDetectionFeatures
 
class  BetaTurnDetectionFeaturesCreator
 creator for the BetaTurnDetectionFeatures class More...
 
class  ChargeChargeFeatures
 
class  ChargeChargeFeaturesCreator
 creator for the ChargeChargeFeatures class More...
 
class  DatabaseFilter
 
class  TopCountOfEachInput
 
class  TopCountOfAllInputs
 
class  TopPercentOfEachInput
 
class  TopPercentOfAllInputs
 
class  DatabaseJobInputter
 
class  DatabaseJobInputterCreator
 
class  DatabaseJobOutputter
 
class  DatabaseJobOutputterCreator
 
class  DdGFeatures
 
class  DdGFeaturesCreator
 creator for the DdGFeatures class More...
 
class  FeaturesReporter
 
class  FeaturesReporterCreator
 The Creator class is responsible for creating a particular mover class. More...
 
class  FeaturesReporterFactory
 Create Features Reporters. More...
 
class  FeaturesReporterRegistrator
 This templated class will register an instance of an FeaturesReporterCreator (class T) with the FeaturesReporterFactory. It will ensure that no FeaturesReporterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place. More...
 
class  GeometricSolvationFeatures
 
class  GeometricSolvationFeaturesCreator
 creator for the GeometricSolvationFeatures class More...
 
class  HBondFeatures
 
class  HBondFeaturesCreator
 creator for the HBondFeatures class More...
 
class  HBondParameterFeatures
 
class  HBondParameterFeaturesCreator
 creator for the HBondParameterFeatures class More...
 
class  HelixCapFeatures
 
class  HelixCapFeaturesCreator
 creator for the HelixCapFeaturesCreator class More...
 
class  InterfaceDdGMover
 Calculates ddG of binding. More...
 
class  InterfaceDdGMoverCreator
 
class  InterfaceFeatures
 Analyzes interfaces and interface residues of a pose mainly using InterfaceAnalayzerMover. By default, will analyze every interface with and report any that have dSASA > cutoff. Interfaces to report can be set via code or RS. More...
 
class  InterfaceFeaturesCreator
 creator for the HBondParameterFeatures class More...
 
class  JobDataFeatures
 
class  JobDataFeaturesCreator
 creator for the JobDataFeatures class More...
 
class  LoopAnchorFeatures
 
class  LoopAnchorFeaturesCreator
 creator for the LoopAnchorFeatures class More...
 
struct  clique_saver
 
struct  Segment
 
class  ModelFeatures
 
class  ModelFeaturesCreator
 creator for the ModelFeatures class More...
 
class  OrbitalsFeatures
 
class  OrbitalsFeaturesCreator
 creator for the OrbitalsFeatures class More...
 
class  PairFeatures
 
class  PairFeaturesCreator
 creator for the PairFeatures class More...
 
class  PdbDataFeatures
 
class  PdbDataFeaturesCreator
 creator for the PdbDataFeatures class More...
 
class  PoseCommentsFeatures
 
class  PoseCommentsFeaturesCreator
 creator for the PoseCommentsFeatures class More...
 
class  PoseConformationFeatures
 
class  PoseConformationFeaturesCreator
 creator for the PoseConformationFeatures class More...
 
class  ProteinBackboneAtomAtomPairFeatures
 
class  ProteinBackboneAtomAtomPairFeaturesCreator
 creator for the ProteinBackboneAtomAtomPairFeatures class More...
 
class  ProteinBackboneTorsionAngleFeatures
 
class  ProteinBackboneTorsionAngleFeaturesCreator
 creator for the ProteinBackboneTorsionAngleFeatures class More...
 
class  ProteinBondGeometryFeatures
 
class  ProteinBondGeometryFeaturesCreator
 creator for the ProteinBondGeometryFeatures class More...
 
class  ProteinResidueConformationFeatures
 
class  ProteinResidueConformationFeaturesCreator
 creator for the ProteinResidueConformationFeatures class More...
 
class  ProteinRMSDFeatures
 
class  ProteinRMSDFeaturesCreator
 creator for the ProteinRMSDFeatures class More...
 
class  ProteinRMSDNoSuperpositionFeatures
 
class  ProteinRMSDNoSuperpositionFeaturesCreator
 creator for the ProteinRMSDNoSuperpositionFeatures class More...
 
class  ProteinSilentReport
 
class  ProtocolFeatures
 
class  RadiusOfGyrationFeatures
 
class  RadiusOfGyrationFeaturesCreator
 creator for the RadiusOfGyrationFeatures class More...
 
class  Report
 
class  ReportToDB
 
class  ReportToDBCreator
 
class  ResidueBurialFeatures
 
class  ResidueBurialFeaturesCreator
 creator for the ResidueBurialFeatures class More...
 
class  ResidueConformationFeatures
 
class  ResidueConformationFeaturesCreator
 creator for the ResidueConformationFeatures class More...
 
class  ResidueFeatures
 
class  ResidueFeaturesCreator
 creator for the ResidueFeatures class More...
 
class  ResidueGridScoresFeatures
 
class  ResidueGridScoresFeaturesCreator
 creator for the ResidueGridScoresFeatures class More...
 
class  ResidueScoresFeatures
 
class  ResidueScoresFeaturesCreator
 creator for the ResidueScoresFeatures class More...
 
class  ResidueSecondaryStructureFeatures
 
class  ResidueSecondaryStructureFeaturesCreator
 creator for the ResidueSecondaryStructureFeatures class More...
 
class  ResidueTotalScoresFeatures
 
class  ResidueTotalScoresFeaturesCreator
 creator for the ResidueTotalScoresFeatures class More...
 
class  ResidueTypesFeatures
 
class  ResidueTypesFeaturesCreator
 creator for the ResidueTypesFeatures class More...
 
class  RotamerBoltzmannWeightFeatures
 
class  RotamerBoltzmannWeightFeaturesCreator
 creator for the RotamerBoltzmannWeightFeatures class More...
 
class  RotamerInitializer
 
class  RotamerFeatures
 
class  RotamerFeaturesCreator
 creator for the RotamerFeatures class More...
 
class  RotamerRecoveryFeatures
 
class  RotamerRecoveryFeaturesCreator
 creator for the RotamerRecoveryFeatures class More...
 
class  RuntimeFeatures
 
class  RuntimeFeaturesCreator
 
class  SaltBridgeFeatures
 
class  SaltBridgeFeaturesCreator
 creator for the SaltBridgeFeatures class More...
 
class  ScoreFunctionFeatures
 
class  ScoreFunctionFeaturesCreator
 creator for the ScoreFunctionFeatures class More...
 
class  ScoreTypeFeatures
 
class  ScoreTypeFeaturesCreator
 creator for the ScoreTypeFeatures class More...
 
class  ScreeningFeatures
 
class  ScreeningFeaturesCreator
 creator for the ScreeningFeaturesCreator class More...
 
class  SecondaryStructureSegmentFeatures
 
class  SecondaryStructureSegmentFeaturesCreator
 creator for the SecondaryStructureSegmentFeaturesCreator class More...
 
struct  MetricData
 
class  SimpleMetricFeatures
 
class  SimpleMetricFeaturesCreator
 creator for the SimpleMetricFeatures class More...
 
struct  SecondaryStructureSegment
 
class  SmotifFeatures
 
class  SmotifFeaturesCreator
 creator for the SmotifFeaturesCreator class More...
 
class  StructureFeatures
 
class  StructureFeaturesCreator
 creator for the StructureFeatures class More...
 
class  StructureScoresFeatures
 
class  StructureScoresFeaturesCreator
 creator for the StructureScoresFeatures class More...
 
class  TaskOperationFeatures
 
class  TaskOperationFeaturesCreator
 creator for the TaskOperationFeatures class More...
 
class  TotalScoreFeatures
 
class  TotalScoreFeaturesCreator
 
class  TrajectoryMapFeatures
 
class  TrajectoryMapFeaturesCreator
 creator for the TrajectoryMapFeatures class More...
 
class  TrajectoryReportToDB
 
class  TrajectoryReportToDBCreator
 
class  UnrecognizedAtomFeatures
 
class  UnrecognizedAtomFeaturesCreator
 creator for the UnrecognizedAtomFeatures class More...
 
class  WaterFeatures
 
class  WaterFeaturesCreator
 creator for the WaterFeatures class More...
 

Typedefs

typedef utility::pointer::shared_ptr< AtomAtomPairFeaturesAtomAtomPairFeaturesOP
 
typedef utility::pointer::shared_ptr< AtomAtomPairFeatures const > AtomAtomPairFeaturesCOP
 
typedef utility::pointer::shared_ptr< AtomInResidueAtomInResiduePairFeaturesAtomInResidueAtomInResiduePairFeaturesOP
 
typedef utility::pointer::shared_ptr< AtomInResidueAtomInResiduePairFeatures const > AtomInResidueAtomInResiduePairFeaturesCOP
 
typedef utility::pointer::shared_ptr< AtomTypesFeaturesAtomTypesFeaturesOP
 
typedef utility::pointer::shared_ptr< AtomTypesFeatures const > AtomTypesFeaturesCOP
 
typedef utility::pointer::shared_ptr< BatchFeaturesBatchFeaturesOP
 
typedef utility::pointer::shared_ptr< BatchFeatures const > BatchFeaturesCOP
 
typedef utility::pointer::shared_ptr< BetaTurnDetectionBetaTurnDetectionOP
 
typedef utility::pointer::shared_ptr< BetaTurnDetection const > BetaTurnDetectionCOP
 
typedef utility::pointer::shared_ptr< BetaTurnDetectionFeaturesBetaTurnDetectionFeaturesOP
 
typedef utility::pointer::shared_ptr< BetaTurnDetectionFeatures const > BetaTurnDetectionFeaturesCOP
 
typedef utility::pointer::shared_ptr< ChargeChargeFeaturesChargeChargeFeaturesOP
 
typedef utility::pointer::shared_ptr< ChargeChargeFeatures const > ChargeChargeFeaturesCOP
 
typedef utility::pointer::shared_ptr< DatabaseFilterDatabaseFilterOP
 
typedef utility::pointer::shared_ptr< DatabaseFilter const > DatabaseFilterCOP
 
typedef std::pair< bool, utility::vector1< StructureID > > WriteDeletePair
 
typedef utility::pointer::shared_ptr< DatabaseJobInputterDatabaseJobInputterOP
 
typedef utility::pointer::shared_ptr< DatabaseJobOutputterDatabaseJobOutputterOP
 
typedef utility::pointer::shared_ptr< DdGFeaturesDdGFeaturesOP
 
typedef utility::pointer::shared_ptr< DdGFeatures const > DdGFeaturesCOP
 
typedef utility::pointer::shared_ptr< FeaturesReporterFeaturesReporterOP
 
typedef utility::pointer::shared_ptr< FeaturesReporter const > FeaturesReporterCOP
 
typedef std::uint64_t StructureID
 
typedef utility::pointer::shared_ptr< FeaturesReporterCreatorFeaturesReporterCreatorOP
 
typedef utility::pointer::shared_ptr< FeaturesReporterCreator const > FeaturesReporterCreatorCOP
 
typedef utility::pointer::shared_ptr< GeometricSolvationFeaturesGeometricSolvationFeaturesOP
 
typedef utility::pointer::shared_ptr< GeometricSolvationFeatures const > GeometricSolvationFeaturesCOP
 
typedef utility::pointer::shared_ptr< HBondFeaturesHBondFeaturesOP
 
typedef utility::pointer::shared_ptr< HBondFeatures const > HBondFeaturesCOP
 
typedef utility::pointer::shared_ptr< HBondParameterFeaturesHBondParameterFeaturesOP
 
typedef utility::pointer::shared_ptr< HBondParameterFeatures const > HBondParameterFeaturesCOP
 
typedef utility::pointer::shared_ptr< InterfaceDdGMoverInterfaceDdGMoverOP
 
typedef utility::pointer::shared_ptr< InterfaceDdGMover const > InterfaceDdGMoverCOP
 
typedef utility::pointer::shared_ptr< protocols::features::InterfaceFeaturesInterfaceFeaturesOP
 
typedef utility::pointer::shared_ptr< InterfaceFeatures const > InterfaceFeaturesCOP
 
typedef utility::pointer::shared_ptr< JobDataFeaturesJobDataFeaturesOP
 
typedef utility::pointer::shared_ptr< JobDataFeatures const > JobDataFeaturesCOP
 
typedef utility::pointer::shared_ptr< LoopAnchorFeaturesLoopAnchorFeaturesOP
 
typedef utility::pointer::shared_ptr< LoopAnchorFeatures const > LoopAnchorFeaturesCOP
 
typedef utility::pointer::shared_ptr< ModelFeaturesModelFeaturesOP
 
typedef utility::pointer::shared_ptr< ModelFeatures const > ModelFeaturesCOP
 
typedef boost::undirected_graph< core::SizeSegmentGraph
 
typedef boost::graph_traits< SegmentGraph >::vertex_descriptor SegmentVertex
 
typedef boost::graph_traits< SegmentGraph >::edge_descriptor InteractionEdge
 
typedef utility::pointer::shared_ptr< OrbitalsFeaturesOrbitalsFeaturesOP
 
typedef utility::pointer::shared_ptr< OrbitalsFeatures const > OrbitalsFeaturesCOP
 
typedef utility::pointer::shared_ptr< PairFeaturesPairFeaturesOP
 
typedef utility::pointer::shared_ptr< PairFeatures const > PairFeaturesCOP
 
typedef utility::pointer::shared_ptr< PdbDataFeaturesPdbDataFeaturesOP
 
typedef utility::pointer::shared_ptr< PoseCommentsFeaturesPoseCommentsFeaturesOP
 
typedef utility::pointer::shared_ptr< PoseCommentsFeatures const > PoseCommentsFeaturesCOP
 
typedef utility::pointer::shared_ptr< PoseConformationFeaturesPoseConformationFeaturesOP
 
typedef utility::pointer::shared_ptr< PoseConformationFeatures const > PoseConformationFeaturesCOP
 
typedef utility::pointer::shared_ptr< ProteinBackboneAtomAtomPairFeaturesProteinBackboneAtomAtomPairFeaturesOP
 
typedef utility::pointer::shared_ptr< ProteinBackboneAtomAtomPairFeatures const > ProteinBackboneAtomAtomPairFeaturesCOP
 
typedef utility::pointer::shared_ptr< ProteinBackboneTorsionAngleFeaturesProteinBackboneTorsionAngleFeaturesOP
 
typedef utility::pointer::shared_ptr< ProteinBackboneTorsionAngleFeatures const > ProteinBackboneTorsionAngleFeaturesCOP
 
typedef utility::pointer::shared_ptr< ProteinBondGeometryFeaturesProteinBondGeometryFeaturesOP
 
typedef utility::pointer::shared_ptr< ProteinBondGeometryFeatures const > ProteinBondGeometryFeaturesCOP
 
typedef utility::pointer::shared_ptr< BondAngleDatabase > BondAngleDatabaseOP
 
typedef utility::pointer::shared_ptr< ProteinResidueConformationFeaturesProteinResidueConformationFeaturesOP
 
typedef utility::pointer::shared_ptr< ProteinResidueConformationFeatures const > ProteinResidueConformationFeaturesCOP
 
typedef utility::pointer::shared_ptr< ProteinRMSDFeaturesProteinRMSDFeaturesOP
 
typedef utility::pointer::shared_ptr< ProteinRMSDFeatures const > ProteinRMSDFeaturesCOP
 
typedef utility::pointer::shared_ptr< ProteinRMSDNoSuperpositionFeaturesProteinRMSDNoSuperpositionFeaturesOP
 
typedef utility::pointer::shared_ptr< ProteinRMSDNoSuperpositionFeatures const > ProteinRMSDNoSuperpositionFeaturesCOP
 
typedef utility::pointer::shared_ptr< ProteinSilentReportProteinSilentReportOP
 
typedef utility::pointer::shared_ptr< ProteinSilentReport const > ProteinSilentReportCOP
 
typedef utility::pointer::shared_ptr< ProtocolFeaturesProtocolFeaturesOP
 
typedef utility::pointer::shared_ptr< ProtocolFeatures const > ProtocolFeaturesCOP
 
typedef utility::pointer::shared_ptr< RadiusOfGyrationFeaturesRadiusOfGyrationFeaturesOP
 
typedef utility::pointer::shared_ptr< RadiusOfGyrationFeatures const > RadiusOfGyrationFeaturesCOP
 
typedef utility::pointer::shared_ptr< ReportReportOP
 
typedef utility::pointer::shared_ptr< Report const > ReportCOP
 
typedef utility::pointer::shared_ptr< ReportToDBReportToDBOP
 
typedef utility::pointer::shared_ptr< ReportToDB const > ReportToDBCOP
 
typedef utility::pointer::shared_ptr< ResidueBurialFeaturesResidueBurialFeaturesOP
 
typedef utility::pointer::shared_ptr< ResidueBurialFeatures const > ResidueBurialFeaturesCOP
 
typedef utility::pointer::shared_ptr< ResidueConformationFeaturesResidueConformationFeaturesOP
 
typedef utility::pointer::shared_ptr< ResidueConformationFeatures const > ResidueConformationFeaturesCOP
 
typedef utility::pointer::shared_ptr< ResidueFeaturesResidueFeaturesOP
 
typedef utility::pointer::shared_ptr< ResidueFeatures const > ResidueFeaturesCOP
 
typedef utility::pointer::shared_ptr< ResidueGridScoresFeaturesResidueGridScoresFeaturesOP
 
typedef utility::pointer::shared_ptr< ResidueGridScoresFeatures const > ResidueGridScoresFeaturesCOP
 
typedef utility::pointer::shared_ptr< ResidueScoresFeaturesResidueScoresFeaturesOP
 
typedef utility::pointer::shared_ptr< ResidueScoresFeatures const > ResidueScoresFeaturesCOP
 
typedef utility::pointer::shared_ptr< ResidueSecondaryStructureFeaturesResidueSecondaryStructureFeaturesOP
 
typedef utility::pointer::shared_ptr< ResidueSecondaryStructureFeatures const > ResidueSecondaryStructureFeaturesCOP
 
typedef utility::pointer::shared_ptr< ResidueTotalScoresFeaturesResidueTotalScoresFeaturesOP
 
typedef utility::pointer::shared_ptr< ResidueTotalScoresFeatures const > ResidueTotalScoresFeaturesCOP
 
typedef utility::pointer::shared_ptr< ResidueTypesFeaturesResidueTypesFeaturesOP
 
typedef utility::pointer::shared_ptr< ResidueTypesFeatures const > ResidueTypesFeaturesCOP
 
typedef utility::pointer::shared_ptr< RotamerBoltzmannWeightFeaturesRotamerBoltzmannWeightFeaturesOP
 
typedef utility::pointer::shared_ptr< RotamerBoltzmannWeightFeatures const > RotamerBoltzmannWeightFeaturesCOP
 
typedef utility::pointer::shared_ptr< RotamerFeaturesRotamerFeaturesOP
 
typedef utility::pointer::shared_ptr< RotamerFeatures const > RotamerFeaturesCOP
 
typedef utility::pointer::shared_ptr< RotamerRecoveryFeaturesRotamerRecoveryFeaturesOP
 
typedef utility::pointer::shared_ptr< RotamerRecoveryFeatures const > RotamerRecoveryFeaturesCOP
 
typedef utility::pointer::shared_ptr< RuntimeFeaturesRuntimeFeaturesOP
 
typedef utility::pointer::shared_ptr< RuntimeFeatures const > RuntimeFeaturesCOP
 
typedef utility::pointer::shared_ptr< SaltBridgeFeaturesSaltBridgeFeaturesOP
 
typedef utility::pointer::shared_ptr< SaltBridgeFeatures const > SaltBridgeFeaturesCOP
 
typedef utility::pointer::shared_ptr< ScoreFunctionFeaturesScoreFunctionFeaturesOP
 
typedef utility::pointer::shared_ptr< ScoreFunctionFeatures const > ScoreFunctionFeaturesCOP
 
typedef utility::pointer::shared_ptr< ScoreTypeFeaturesScoreTypeFeaturesOP
 
typedef utility::pointer::shared_ptr< ScoreTypeFeatures const > ScoreTypeFeaturesCOP
 
typedef utility::pointer::shared_ptr< ScreeningFeaturesScreeningFeaturesOP
 
typedef utility::pointer::shared_ptr< ScreeningFeatures const > ScreeningFeaturesCOP
 
typedef utility::pointer::shared_ptr< SecondaryStructureSegmentFeaturesSecondaryStructureSegmentFeaturesOP
 
typedef utility::pointer::shared_ptr< SecondaryStructureSegmentFeatures const > SecondaryStructureSegmentFeaturesCOP
 
typedef utility::pointer::shared_ptr< SimpleMetricFeaturesSimpleMetricFeaturesOP
 
typedef utility::pointer::shared_ptr< SimpleMetricFeatures const > SimpleMetricFeaturesCOP
 
typedef utility::pointer::shared_ptr< StructureFeaturesStructureFeaturesOP
 
typedef utility::pointer::shared_ptr< StructureFeatures const > StructureFeaturesCOP
 
typedef utility::pointer::shared_ptr< StructureScoresFeaturesStructureScoresFeaturesOP
 
typedef utility::pointer::shared_ptr< StructureScoresFeatures const > StructureScoresFeaturesCOP
 
typedef utility::pointer::shared_ptr< TaskOperationFeaturesTaskOperationFeaturesOP
 
typedef utility::pointer::shared_ptr< TaskOperationFeatures const > TaskOperationFeaturesCOP
 
typedef utility::pointer::shared_ptr< TotalScoreFeaturesTotalScoreFeaturesOP
 
typedef utility::pointer::shared_ptr< TotalScoreFeatures const > TotalScoreFeaturesCOP
 
typedef utility::pointer::shared_ptr< TrajectoryMapFeaturesTrajectoryMapFeaturesOP
 
typedef utility::pointer::shared_ptr< TrajectoryMapFeatures const > TrajectoryMapFeaturesCOP
 
typedef utility::pointer::shared_ptr< TrajectoryReportToDBTrajectoryReportToDBOP
 
typedef utility::pointer::shared_ptr< TrajectoryReportToDB const > TrajectoryReportToDBCOP
 
typedef utility::pointer::shared_ptr< UnrecognizedAtomFeaturesUnrecognizedAtomFeaturesOP
 
typedef utility::pointer::shared_ptr< UnrecognizedAtomFeatures const > UnrecognizedAtomFeaturesCOP
 
typedef utility::pointer::shared_ptr< WaterFeaturesWaterFeaturesOP
 
typedef utility::pointer::shared_ptr< WaterFeatures const > WaterFeaturesCOP
 

Enumerations

enum  RamachandranHash {
  A = 1 , B , L , E ,
  number_of_ramachandran_hashes = E
}
 
enum  HBDefType { hbdef_NONE = 1 , hbdef_ENERGY , hbdef_AHDIST , hbdef_MAX = hbdef_AHDIST }
 How a hydrogen bond should be defined See note for definition_type_ below. More...
 

Functions

static Tracer TR ("protocols.features.AtomAtomPairFeatures")
 
static Tracer TR ("protocols.features.AtomTypesFeatures")
 
static basic::Tracer TR ("protocols.features.BatchFeatures")
 
static basic::Tracer TR ("protocols.features.DatabaseFilters")
 
core::Real get_current_model_score (core::pose::Pose const &pose, core::Size score_type_id)
 
DatabaseFilterOP get_DB_filter_ptr ()
 
WriteDeletePair get_write_delete_pair (core::pose::Pose const &pose, utility::sql_database::sessionOP db_session, core::Size const &protocol_id, core::Size const &count, std::string const &score_term, std::string current_input="")
 
template<class T >
get_something_from_database (cppdb::statement statement, T)
 
cppdb::statement get_structure_count_statement (utility::sql_database::sessionOP db_session, std::string const &input_tag, core::Size const &protocol_id)
 
core::Size get_score_type_id_from_score_term (utility::sql_database::sessionOP db_session, core::Size const &protocol_id, std::string const &score_term)
 
cppdb::statement get_nth_lowest_score_from_job_data_statement (utility::sql_database::sessionOP db_session, std::string const &score_term, core::Size const &cutoff_index, std::string const &input_tag, core::Size const &protocol_id)
 
cppdb::statement get_nth_lowest_score_from_score_data_statement (utility::sql_database::sessionOP db_session, core::Size const &score_type_id, core::Size const &cutoff_index, std::string const &input_tag, core::Size const &protocol_id)
 
cppdb::statement get_highest_score_from_job_data_statement (utility::sql_database::sessionOP db_session, std::string const &score_term, std::string const &input_tag, core::Size const &protocol_id)
 
cppdb::statement get_highest_score_from_score_data_statement (utility::sql_database::sessionOP db_session, core::Size const &score_type_id, std::string const &input_tag, core::Size const &protocol_id)
 
core::Size get_current_structure_count (utility::sql_database::sessionOP db_session, core::Size const &protocol_id, std::string const &input_tag)
 
StructureID get_struct_id_with_nth_lowest_score_from_job_data (utility::sql_database::sessionOP db_session, std::string const &score_term, core::Size const &cutoff_index, core::Size const &protocol_id, std::string const &input_tag)
 
StructureID get_struct_id_with_nth_lowest_score_from_score_data (utility::sql_database::sessionOP db_session, core::Size const &score_type_id, core::Size const &cutoff_index, core::Size const &protocol_id, std::string const &input_tag)
 
StructureID get_struct_id_with_lowest_score_from_job_data (utility::sql_database::sessionOP db_session, std::string const &score_term, core::Size const &protocol_id, std::string const &input_tag)
 
StructureID get_struct_id_with_lowest_score_from_score_data (utility::sql_database::sessionOP db_session, core::Size const &score_type_id, core::Size const &protocol_id, std::string const &input_tag)
 
StructureID get_struct_id_with_highest_score_from_job_data (utility::sql_database::sessionOP db_session, std::string const &score_term, core::Size const &protocol_id, std::string const &input_tag)
 
StructureID get_struct_id_with_highest_score_from_score_data (utility::sql_database::sessionOP db_session, core::Size const &score_type_id, core::Size const &protocol_id, std::string const &input_tag)
 
core::Real get_score_for_struct_id_and_score_term_from_job_data (utility::sql_database::sessionOP db_session, StructureID const &struct_id, std::string const &score_term)
 
core::Real get_score_for_struct_id_and_score_term_from_score_data (utility::sql_database::sessionOP db_session, StructureID const &struct_id, core::Size const &score_type_id)
 
static basic::Tracer TR ("protocols.features.DdGFeatures")
 
std::string complex_type_name_for_features_reporter (std::string const &features_reporter_name)
 
void xsd_type_definition_w_attributes (utility::tag::XMLSchemaDefinition &xsd, std::string const &features_reporter_type, std::string const &description, utility::tag::AttributeList const &attributes)
 Define the XML schema definition for a Features_Reporter that contains no subtags but may contain any number of attributes (aka options). More...
 
void xsd_type_definition_w_attributes_and_repeatable_subelements (utility::tag::XMLSchemaDefinition &xsd, std::string const &features_reporter_type, std::string const &description, utility::tag::AttributeList const &attributes, utility::tag::XMLSchemaSimpleSubelementList const &subelements)
 
static Tracer TR ("protocols.features.FeaturesReporter")
 
static basic::Tracer tr ("protocols.features.FeaturesReporterFactory")
 
static Tracer TR ("protocols.features.HBondFeatures")
 
static Tracer TR ("protocols.features.HBondParameterFeatures")
 
static basic::Tracer TR ("protocols.features.LoopAnchorFeatures")
 
static basic::Tracer TR ("protocols.features.PdbDataFeatures")
 
static basic::Tracer TR ("protocols.features.PoseConformationFeatures")
 
static basic::Tracer TR ("protocols.features.ProteinBondGeometry")
 
static basic::Tracer TR ("protocols.features.ProteinResidueConformationFeatures")
 
static basic::Tracer tr ("protocols.features.ProteinRMSDFeatures")
 
static basic::Tracer tr ("protocols.features.ProteinRMSDNoSuperpositionFeatures")
 
static basic::Tracer TR ("protocols.features.ProteinSilentReport")
 
static Tracer TR ("protocols.features.ReportToDB")
 
static basic::Tracer TR ("protocols.features.ResidueFeatures")
 
static Tracer TR ("protocols.features.ResidueSecondaryStructureFeatures")
 
static basic::Tracer TR ("protocols.features.ResidueTotalScoresFeatures")
 
static Tracer TR ("protocols.features.ResidueTypesFeatures")
 
static basic::Tracer TR ("protocols.features.RotamerFeatures")
 
static Tracer TR ("protocols.features.RotamerRecoveryFeatures")
 
static basic::Tracer TR ("protocols.features.SimpleMetricFeatures")
 
static basic::Tracer TR ("protocols.features.SmotifFeatures")
 
static basic::Tracer TR ("protocols.features.StructureScoresFeatures")
 
static Tracer TR ("protocols.features.TaskOperationFeatures")
 
static basic::Tracer TR ("protocols.features.TrajectoryMapFeatures")
 
static basic::Tracer TR ("protocols.features.TrajectoryReportToDB")
 
static basic::Tracer TR ("protocols.features.UnrecognizedAtomFeatures")
 
static Tracer TR ("protocols.features.util")
 
void set_protocol_and_batch_id (core::Size protocol_id, core::Size batch_id, string const &batch_name, string const &batch_description, utility::vector1< FeaturesReporterOP > features_reporters, sessionOP db_session)
 write the given protocol and batch ids to the database. The protocol and batches features reporters will check for an existing entry with the same key, and write if one does not exist. Not recommended for parallel use as it is subject to race conditions (due to the nature of 'insert or ignore' type database writing) More...
 
pair< core::Size, core::Sizeget_protocol_and_batch_id (string const &batch_name, string const &batch_description, utility::vector1< FeaturesReporterOP > features_reporters, sessionOP db_session)
 Get the protocol and batch ids or create them if they don't yet exist. For MPI protocols, only allow the head node to create protocol or batch ids and have the other nodes ask the head node for the info. More...
 
void write_features_reporters_table (utility::vector1< FeaturesReporterOP > features_reporters, utility::sql_database::sessionOP db_session)
 
void write_batch_reports_table (utility::vector1< FeaturesReporterOP > features_reporters, core::Size batch_id, utility::sql_database::sessionOP db_session)
 write the linking table between features reporters and batches. This happens here so that the protocol/batch id framework can be used to prevent duplicate key entries. This function gets called when the batch id is written. More...
 
pair< core::Size, core::Sizedeserialize_db_listener_data (string data)
 
string serialize_ids (int protocol_id, string batch_name, core::Size batch_id)
 
Size get_batch_id (StructureID struct_id, sessionOP db_session)
 
utility::vector1< StructureIDstruct_ids_from_tag (sessionOP db_session, string const &tag)
 
std::string serialize_residue_xyz_coords (core::conformation::Residue const &residue)
 
utility::vector1< numeric::xyzVector< core::Real > > deserialize_xyz_coords (std::string const &data, core::Size natoms)
 
std::string get_question_mark_string (core::Size const n)
 Returns (?,?,?) With question marks of length n to help create database query. More...
 
void set_protocol_and_batch_id (core::Size protocol_id, core::Size batch_id, std::string const &batch_name, std::string const &batch_description, utility::vector1< FeaturesReporterOP > features_reporters, utility::sql_database::sessionOP db_session)
 write the given protocol and batch ids to the database. The protocol and batches features reporters will check for an existing entry with the same key, and write if one does not exist. Not recommended for parallel use as it is subject to race conditions (due to the nature of 'insert or ignore' type database writing) More...
 
std::pair< core::Size, core::Sizeget_protocol_and_batch_id (std::string const &batch_name, std::string const &batch_description, utility::vector1< FeaturesReporterOP > features_reporters, utility::sql_database::sessionOP db_session)
 Get the protocol and batch ids or create them if they don't yet exist. For MPI protocols, only allow the head node to create protocol or batch ids and have the other nodes ask the head node for the info. More...
 
core::Size get_batch_id (StructureID struct_id, utility::sql_database::sessionOP db_session)
 
utility::vector1< StructureIDstruct_ids_from_tag (utility::sql_database::sessionOP db_session, std::string const &tag)
 

Variables

Size static_protocol_id_ = 0
 
bool protocol_table_initialized_ = false
 
map< string, core::Sizestatic_batch_id_map_
 

Typedef Documentation

◆ AtomAtomPairFeaturesCOP

typedef utility::pointer::shared_ptr< AtomAtomPairFeatures const > protocols::features::AtomAtomPairFeaturesCOP

◆ AtomAtomPairFeaturesOP

typedef utility::pointer::shared_ptr< AtomAtomPairFeatures > protocols::features::AtomAtomPairFeaturesOP

◆ AtomInResidueAtomInResiduePairFeaturesCOP

◆ AtomInResidueAtomInResiduePairFeaturesOP

◆ AtomTypesFeaturesCOP

typedef utility::pointer::shared_ptr< AtomTypesFeatures const > protocols::features::AtomTypesFeaturesCOP

◆ AtomTypesFeaturesOP

typedef utility::pointer::shared_ptr< AtomTypesFeatures > protocols::features::AtomTypesFeaturesOP

◆ BatchFeaturesCOP

typedef utility::pointer::shared_ptr< BatchFeatures const > protocols::features::BatchFeaturesCOP

◆ BatchFeaturesOP

typedef utility::pointer::shared_ptr< BatchFeatures > protocols::features::BatchFeaturesOP

◆ BetaTurnDetectionCOP

typedef utility::pointer::shared_ptr< BetaTurnDetection const > protocols::features::BetaTurnDetectionCOP

◆ BetaTurnDetectionFeaturesCOP

◆ BetaTurnDetectionFeaturesOP

◆ BetaTurnDetectionOP

typedef utility::pointer::shared_ptr< BetaTurnDetection > protocols::features::BetaTurnDetectionOP

◆ BondAngleDatabaseOP

typedef utility::pointer::shared_ptr< BondAngleDatabase > protocols::features::BondAngleDatabaseOP

◆ ChargeChargeFeaturesCOP

typedef utility::pointer::shared_ptr< ChargeChargeFeatures const > protocols::features::ChargeChargeFeaturesCOP

◆ ChargeChargeFeaturesOP

typedef utility::pointer::shared_ptr< ChargeChargeFeatures > protocols::features::ChargeChargeFeaturesOP

◆ DatabaseFilterCOP

typedef utility::pointer::shared_ptr< DatabaseFilter const > protocols::features::DatabaseFilterCOP

◆ DatabaseFilterOP

typedef utility::pointer::shared_ptr< DatabaseFilter > protocols::features::DatabaseFilterOP

◆ DatabaseJobInputterOP

typedef utility::pointer::shared_ptr< DatabaseJobInputter > protocols::features::DatabaseJobInputterOP

◆ DatabaseJobOutputterOP

typedef utility::pointer::shared_ptr< DatabaseJobOutputter > protocols::features::DatabaseJobOutputterOP

◆ DdGFeaturesCOP

typedef utility::pointer::shared_ptr< DdGFeatures const > protocols::features::DdGFeaturesCOP

◆ DdGFeaturesOP

typedef utility::pointer::shared_ptr< DdGFeatures > protocols::features::DdGFeaturesOP

◆ FeaturesReporterCOP

typedef utility::pointer::shared_ptr< FeaturesReporter const > protocols::features::FeaturesReporterCOP

◆ FeaturesReporterCreatorCOP

typedef utility::pointer::shared_ptr< FeaturesReporterCreator const > protocols::features::FeaturesReporterCreatorCOP

◆ FeaturesReporterCreatorOP

◆ FeaturesReporterOP

typedef utility::pointer::shared_ptr< FeaturesReporter > protocols::features::FeaturesReporterOP

◆ GeometricSolvationFeaturesCOP

◆ GeometricSolvationFeaturesOP

◆ HBondFeaturesCOP

typedef utility::pointer::shared_ptr< HBondFeatures const > protocols::features::HBondFeaturesCOP

◆ HBondFeaturesOP

typedef utility::pointer::shared_ptr< HBondFeatures > protocols::features::HBondFeaturesOP

◆ HBondParameterFeaturesCOP

typedef utility::pointer::shared_ptr< HBondParameterFeatures const > protocols::features::HBondParameterFeaturesCOP

◆ HBondParameterFeaturesOP

◆ InteractionEdge

typedef boost::graph_traits<SegmentGraph>::edge_descriptor protocols::features::InteractionEdge

◆ InterfaceDdGMoverCOP

typedef utility::pointer::shared_ptr< InterfaceDdGMover const > protocols::features::InterfaceDdGMoverCOP

◆ InterfaceDdGMoverOP

typedef utility::pointer::shared_ptr< InterfaceDdGMover > protocols::features::InterfaceDdGMoverOP

◆ InterfaceFeaturesCOP

typedef utility::pointer::shared_ptr< InterfaceFeatures const > protocols::features::InterfaceFeaturesCOP

◆ InterfaceFeaturesOP

◆ JobDataFeaturesCOP

typedef utility::pointer::shared_ptr<JobDataFeatures const> protocols::features::JobDataFeaturesCOP

◆ JobDataFeaturesOP

typedef utility::pointer::shared_ptr<JobDataFeatures> protocols::features::JobDataFeaturesOP

◆ LoopAnchorFeaturesCOP

typedef utility::pointer::shared_ptr< LoopAnchorFeatures const > protocols::features::LoopAnchorFeaturesCOP

◆ LoopAnchorFeaturesOP

typedef utility::pointer::shared_ptr< LoopAnchorFeatures > protocols::features::LoopAnchorFeaturesOP

◆ ModelFeaturesCOP

typedef utility::pointer::shared_ptr< ModelFeatures const > protocols::features::ModelFeaturesCOP

◆ ModelFeaturesOP

typedef utility::pointer::shared_ptr< ModelFeatures > protocols::features::ModelFeaturesOP

◆ OrbitalsFeaturesCOP

typedef utility::pointer::shared_ptr< OrbitalsFeatures const > protocols::features::OrbitalsFeaturesCOP

◆ OrbitalsFeaturesOP

typedef utility::pointer::shared_ptr< OrbitalsFeatures > protocols::features::OrbitalsFeaturesOP

◆ PairFeaturesCOP

typedef utility::pointer::shared_ptr< PairFeatures const > protocols::features::PairFeaturesCOP

◆ PairFeaturesOP

typedef utility::pointer::shared_ptr< PairFeatures > protocols::features::PairFeaturesOP

◆ PdbDataFeaturesOP

typedef utility::pointer::shared_ptr< PdbDataFeatures > protocols::features::PdbDataFeaturesOP

◆ PoseCommentsFeaturesCOP

typedef utility::pointer::shared_ptr< PoseCommentsFeatures const > protocols::features::PoseCommentsFeaturesCOP

◆ PoseCommentsFeaturesOP

typedef utility::pointer::shared_ptr< PoseCommentsFeatures > protocols::features::PoseCommentsFeaturesOP

◆ PoseConformationFeaturesCOP

typedef utility::pointer::shared_ptr< PoseConformationFeatures const > protocols::features::PoseConformationFeaturesCOP

◆ PoseConformationFeaturesOP

◆ ProteinBackboneAtomAtomPairFeaturesCOP

◆ ProteinBackboneAtomAtomPairFeaturesOP

◆ ProteinBackboneTorsionAngleFeaturesCOP

◆ ProteinBackboneTorsionAngleFeaturesOP

◆ ProteinBondGeometryFeaturesCOP

◆ ProteinBondGeometryFeaturesOP

◆ ProteinResidueConformationFeaturesCOP

◆ ProteinResidueConformationFeaturesOP

◆ ProteinRMSDFeaturesCOP

typedef utility::pointer::shared_ptr< ProteinRMSDFeatures const > protocols::features::ProteinRMSDFeaturesCOP

◆ ProteinRMSDFeaturesOP

typedef utility::pointer::shared_ptr< ProteinRMSDFeatures > protocols::features::ProteinRMSDFeaturesOP

◆ ProteinRMSDNoSuperpositionFeaturesCOP

◆ ProteinRMSDNoSuperpositionFeaturesOP

◆ ProteinSilentReportCOP

typedef utility::pointer::shared_ptr< ProteinSilentReport const > protocols::features::ProteinSilentReportCOP

◆ ProteinSilentReportOP

typedef utility::pointer::shared_ptr< ProteinSilentReport > protocols::features::ProteinSilentReportOP

◆ ProtocolFeaturesCOP

typedef utility::pointer::shared_ptr< ProtocolFeatures const > protocols::features::ProtocolFeaturesCOP

◆ ProtocolFeaturesOP

typedef utility::pointer::shared_ptr< ProtocolFeatures > protocols::features::ProtocolFeaturesOP

◆ RadiusOfGyrationFeaturesCOP

typedef utility::pointer::shared_ptr< RadiusOfGyrationFeatures const > protocols::features::RadiusOfGyrationFeaturesCOP

◆ RadiusOfGyrationFeaturesOP

◆ ReportCOP

typedef utility::pointer::shared_ptr< Report const > protocols::features::ReportCOP

◆ ReportOP

typedef utility::pointer::shared_ptr< Report > protocols::features::ReportOP

◆ ReportToDBCOP

typedef utility::pointer::shared_ptr< ReportToDB const > protocols::features::ReportToDBCOP

◆ ReportToDBOP

typedef utility::pointer::shared_ptr< ReportToDB > protocols::features::ReportToDBOP

◆ ResidueBurialFeaturesCOP

typedef utility::pointer::shared_ptr< ResidueBurialFeatures const > protocols::features::ResidueBurialFeaturesCOP

◆ ResidueBurialFeaturesOP

◆ ResidueConformationFeaturesCOP

◆ ResidueConformationFeaturesOP

◆ ResidueFeaturesCOP

typedef utility::pointer::shared_ptr< ResidueFeatures const > protocols::features::ResidueFeaturesCOP

◆ ResidueFeaturesOP

typedef utility::pointer::shared_ptr< ResidueFeatures > protocols::features::ResidueFeaturesOP

◆ ResidueGridScoresFeaturesCOP

◆ ResidueGridScoresFeaturesOP

◆ ResidueScoresFeaturesCOP

typedef utility::pointer::shared_ptr< ResidueScoresFeatures const > protocols::features::ResidueScoresFeaturesCOP

◆ ResidueScoresFeaturesOP

◆ ResidueSecondaryStructureFeaturesCOP

◆ ResidueSecondaryStructureFeaturesOP

◆ ResidueTotalScoresFeaturesCOP

◆ ResidueTotalScoresFeaturesOP

◆ ResidueTypesFeaturesCOP

typedef utility::pointer::shared_ptr< ResidueTypesFeatures const > protocols::features::ResidueTypesFeaturesCOP

◆ ResidueTypesFeaturesOP

typedef utility::pointer::shared_ptr< ResidueTypesFeatures > protocols::features::ResidueTypesFeaturesOP

◆ RotamerBoltzmannWeightFeaturesCOP

◆ RotamerBoltzmannWeightFeaturesOP

◆ RotamerFeaturesCOP

typedef utility::pointer::shared_ptr< RotamerFeatures const > protocols::features::RotamerFeaturesCOP

◆ RotamerFeaturesOP

typedef utility::pointer::shared_ptr< RotamerFeatures > protocols::features::RotamerFeaturesOP

◆ RotamerRecoveryFeaturesCOP

typedef utility::pointer::shared_ptr< RotamerRecoveryFeatures const > protocols::features::RotamerRecoveryFeaturesCOP

◆ RotamerRecoveryFeaturesOP

◆ RuntimeFeaturesCOP

typedef utility::pointer::shared_ptr<RuntimeFeatures const> protocols::features::RuntimeFeaturesCOP

◆ RuntimeFeaturesOP

typedef utility::pointer::shared_ptr<RuntimeFeatures> protocols::features::RuntimeFeaturesOP

◆ SaltBridgeFeaturesCOP

typedef utility::pointer::shared_ptr< SaltBridgeFeatures const > protocols::features::SaltBridgeFeaturesCOP

◆ SaltBridgeFeaturesOP

typedef utility::pointer::shared_ptr< SaltBridgeFeatures > protocols::features::SaltBridgeFeaturesOP

◆ ScoreFunctionFeaturesCOP

typedef utility::pointer::shared_ptr< ScoreFunctionFeatures const > protocols::features::ScoreFunctionFeaturesCOP

◆ ScoreFunctionFeaturesOP

◆ ScoreTypeFeaturesCOP

typedef utility::pointer::shared_ptr< ScoreTypeFeatures const > protocols::features::ScoreTypeFeaturesCOP

◆ ScoreTypeFeaturesOP

typedef utility::pointer::shared_ptr< ScoreTypeFeatures > protocols::features::ScoreTypeFeaturesOP

◆ ScreeningFeaturesCOP

typedef utility::pointer::shared_ptr<ScreeningFeatures const> protocols::features::ScreeningFeaturesCOP

◆ ScreeningFeaturesOP

typedef utility::pointer::shared_ptr<ScreeningFeatures> protocols::features::ScreeningFeaturesOP

◆ SecondaryStructureSegmentFeaturesCOP

◆ SecondaryStructureSegmentFeaturesOP

◆ SegmentGraph

typedef boost::undirected_graph<core::Size> protocols::features::SegmentGraph

◆ SegmentVertex

typedef boost::graph_traits<SegmentGraph>::vertex_descriptor protocols::features::SegmentVertex

◆ SimpleMetricFeaturesCOP

typedef utility::pointer::shared_ptr< SimpleMetricFeatures const > protocols::features::SimpleMetricFeaturesCOP

◆ SimpleMetricFeaturesOP

typedef utility::pointer::shared_ptr< SimpleMetricFeatures > protocols::features::SimpleMetricFeaturesOP

◆ StructureFeaturesCOP

typedef utility::pointer::shared_ptr< StructureFeatures const > protocols::features::StructureFeaturesCOP

◆ StructureFeaturesOP

typedef utility::pointer::shared_ptr< StructureFeatures > protocols::features::StructureFeaturesOP

◆ StructureID

typedef std::uint64_t protocols::features::StructureID

◆ StructureScoresFeaturesCOP

typedef utility::pointer::shared_ptr< StructureScoresFeatures const > protocols::features::StructureScoresFeaturesCOP

◆ StructureScoresFeaturesOP

◆ TaskOperationFeaturesCOP

typedef utility::pointer::shared_ptr< TaskOperationFeatures const > protocols::features::TaskOperationFeaturesCOP

◆ TaskOperationFeaturesOP

◆ TotalScoreFeaturesCOP

typedef utility::pointer::shared_ptr<TotalScoreFeatures const> protocols::features::TotalScoreFeaturesCOP

◆ TotalScoreFeaturesOP

typedef utility::pointer::shared_ptr<TotalScoreFeatures> protocols::features::TotalScoreFeaturesOP

◆ TrajectoryMapFeaturesCOP

typedef utility::pointer::shared_ptr< TrajectoryMapFeatures const > protocols::features::TrajectoryMapFeaturesCOP

◆ TrajectoryMapFeaturesOP

◆ TrajectoryReportToDBCOP

typedef utility::pointer::shared_ptr< TrajectoryReportToDB const > protocols::features::TrajectoryReportToDBCOP

◆ TrajectoryReportToDBOP

typedef utility::pointer::shared_ptr< TrajectoryReportToDB > protocols::features::TrajectoryReportToDBOP

◆ UnrecognizedAtomFeaturesCOP

typedef utility::pointer::shared_ptr< UnrecognizedAtomFeatures const > protocols::features::UnrecognizedAtomFeaturesCOP

◆ UnrecognizedAtomFeaturesOP

◆ WaterFeaturesCOP

typedef utility::pointer::shared_ptr< WaterFeatures const > protocols::features::WaterFeaturesCOP

◆ WaterFeaturesOP

typedef utility::pointer::shared_ptr< WaterFeatures > protocols::features::WaterFeaturesOP

◆ WriteDeletePair

typedef std::pair<bool, utility::vector1<StructureID> > protocols::features::WriteDeletePair

Enumeration Type Documentation

◆ HBDefType

How a hydrogen bond should be defined See note for definition_type_ below.

Enumerator
hbdef_NONE 
hbdef_ENERGY 
hbdef_AHDIST 
hbdef_MAX 

◆ RamachandranHash

Enumerator
number_of_ramachandran_hashes 

Function Documentation

◆ complex_type_name_for_features_reporter()

std::string protocols::features::complex_type_name_for_features_reporter ( std::string const &  features_reporter_name)

◆ deserialize_db_listener_data()

std::pair< core::Size, core::Size > protocols::features::deserialize_db_listener_data ( string  data)

◆ deserialize_xyz_coords()

utility::vector1< numeric::xyzVector< core::Real > > protocols::features::deserialize_xyz_coords ( std::string const &  data,
core::Size  natoms 
)

◆ get_batch_id() [1/2]

Size protocols::features::get_batch_id ( StructureID  struct_id,
sessionOP  db_session 
)

@detail look up the batch id given a struct id. Note this should only be used once the structure's table has been created, eg in an average features reporter's report_features function.

Referenced by protocols::features::ResidueScoresFeatures::insert_residue_scores_rows(), protocols::features::StructureScoresFeatures::insert_structure_score_rows(), and protocols::features::ScoreFunctionFeatures::report_features().

◆ get_batch_id() [2/2]

core::Size protocols::features::get_batch_id ( StructureID  struct_id,
utility::sql_database::sessionOP  db_session 
)

◆ get_current_model_score()

core::Real protocols::features::get_current_model_score ( core::pose::Pose const &  pose,
core::Size  score_type_id 
)

◆ get_current_structure_count()

core::Size protocols::features::get_current_structure_count ( utility::sql_database::sessionOP  db_session,
core::Size const &  protocol_id,
std::string const &  input_tag 
)

◆ get_DB_filter_ptr()

DatabaseFilterOP protocols::features::get_DB_filter_ptr ( )

◆ get_highest_score_from_job_data_statement()

cppdb::statement protocols::features::get_highest_score_from_job_data_statement ( utility::sql_database::sessionOP  db_session,
std::string const &  score_term,
std::string const &  input_tag,
core::Size const &  protocol_id 
)

◆ get_highest_score_from_score_data_statement()

cppdb::statement protocols::features::get_highest_score_from_score_data_statement ( utility::sql_database::sessionOP  db_session,
core::Size const &  score_type_id,
std::string const &  input_tag,
core::Size const &  protocol_id 
)

◆ get_nth_lowest_score_from_job_data_statement()

cppdb::statement protocols::features::get_nth_lowest_score_from_job_data_statement ( utility::sql_database::sessionOP  db_session,
std::string const &  score_term,
core::Size const &  cutoff_index,
std::string const &  input_tag,
core::Size const &  protocol_id 
)

◆ get_nth_lowest_score_from_score_data_statement()

cppdb::statement protocols::features::get_nth_lowest_score_from_score_data_statement ( utility::sql_database::sessionOP  db_session,
core::Size const &  score_type_id,
core::Size const &  cutoff_index,
std::string const &  input_tag,
core::Size const &  protocol_id 
)

◆ get_protocol_and_batch_id() [1/2]

std::pair<core::Size, core::Size> protocols::features::get_protocol_and_batch_id ( std::string const &  batch_name,
std::string const &  batch_description,
utility::vector1< FeaturesReporterOP features_reporters,
utility::sql_database::sessionOP  db_session 
)

Get the protocol and batch ids or create them if they don't yet exist. For MPI protocols, only allow the head node to create protocol or batch ids and have the other nodes ask the head node for the info.

◆ get_protocol_and_batch_id() [2/2]

pair<core::Size, core::Size> protocols::features::get_protocol_and_batch_id ( string const &  batch_name,
string const &  batch_description,
utility::vector1< FeaturesReporterOP features_reporters,
sessionOP  db_session 
)

Get the protocol and batch ids or create them if they don't yet exist. For MPI protocols, only allow the head node to create protocol or batch ids and have the other nodes ask the head node for the info.

References deserialize_db_listener_data(), serialize_ids(), TR(), write_batch_reports_table(), and write_features_reporters_table().

Referenced by protocols::features::ReportToDB::apply(), and protocols::features::ProteinSilentReport::write_protocol_report().

◆ get_question_mark_string()

std::string protocols::features::get_question_mark_string ( core::Size const  n)

◆ get_score_for_struct_id_and_score_term_from_job_data()

core::Real protocols::features::get_score_for_struct_id_and_score_term_from_job_data ( utility::sql_database::sessionOP  db_session,
StructureID const &  struct_id,
std::string const &  score_term 
)

◆ get_score_for_struct_id_and_score_term_from_score_data()

core::Real protocols::features::get_score_for_struct_id_and_score_term_from_score_data ( utility::sql_database::sessionOP  db_session,
StructureID const &  struct_id,
core::Size const &  score_type_id 
)

◆ get_score_type_id_from_score_term()

core::Size protocols::features::get_score_type_id_from_score_term ( utility::sql_database::sessionOP  db_session,
core::Size const &  protocol_id,
std::string const &  score_term 
)

◆ get_something_from_database()

template<class T >
T protocols::features::get_something_from_database ( cppdb::statement  statement,
 
)

◆ get_struct_id_with_highest_score_from_job_data()

StructureID protocols::features::get_struct_id_with_highest_score_from_job_data ( utility::sql_database::sessionOP  db_session,
std::string const &  score_term,
core::Size const &  protocol_id,
std::string const &  input_tag 
)

◆ get_struct_id_with_highest_score_from_score_data()

StructureID protocols::features::get_struct_id_with_highest_score_from_score_data ( utility::sql_database::sessionOP  db_session,
core::Size const &  score_type_id,
core::Size const &  protocol_id,
std::string const &  input_tag 
)

◆ get_struct_id_with_lowest_score_from_job_data()

StructureID protocols::features::get_struct_id_with_lowest_score_from_job_data ( utility::sql_database::sessionOP  db_session,
std::string const &  score_term,
core::Size const &  protocol_id,
std::string const &  input_tag 
)

◆ get_struct_id_with_lowest_score_from_score_data()

StructureID protocols::features::get_struct_id_with_lowest_score_from_score_data ( utility::sql_database::sessionOP  db_session,
core::Size const &  score_type_id,
core::Size const &  protocol_id,
std::string const &  input_tag 
)

◆ get_struct_id_with_nth_lowest_score_from_job_data()

StructureID protocols::features::get_struct_id_with_nth_lowest_score_from_job_data ( utility::sql_database::sessionOP  db_session,
std::string const &  score_term,
core::Size const &  cutoff_index,
core::Size const &  protocol_id,
std::string const &  input_tag 
)

◆ get_struct_id_with_nth_lowest_score_from_score_data()

StructureID protocols::features::get_struct_id_with_nth_lowest_score_from_score_data ( utility::sql_database::sessionOP  db_session,
core::Size const &  score_type_id,
core::Size const &  cutoff_index,
core::Size const &  protocol_id,
std::string const &  input_tag 
)

◆ get_structure_count_statement()

cppdb::statement protocols::features::get_structure_count_statement ( utility::sql_database::sessionOP  db_session,
std::string const &  input_tag,
core::Size const &  protocol_id 
)

◆ get_write_delete_pair()

WriteDeletePair protocols::features::get_write_delete_pair ( core::pose::Pose const &  pose,
utility::sql_database::sessionOP  db_session,
core::Size const &  protocol_id,
core::Size const &  count,
std::string const &  score_term,
std::string  current_input = "" 
)

◆ serialize_ids()

std::string protocols::features::serialize_ids ( int  protocol_id,
string  batch_name,
core::Size  batch_id 
)

◆ serialize_residue_xyz_coords()

std::string protocols::features::serialize_residue_xyz_coords ( core::conformation::Residue const &  residue)

◆ set_protocol_and_batch_id() [1/2]

void protocols::features::set_protocol_and_batch_id ( core::Size  protocol_id,
core::Size  batch_id,
std::string const &  batch_name,
std::string const &  batch_description,
utility::vector1< FeaturesReporterOP features_reporters,
utility::sql_database::sessionOP  db_session 
)

write the given protocol and batch ids to the database. The protocol and batches features reporters will check for an existing entry with the same key, and write if one does not exist. Not recommended for parallel use as it is subject to race conditions (due to the nature of 'insert or ignore' type database writing)

◆ set_protocol_and_batch_id() [2/2]

void protocols::features::set_protocol_and_batch_id ( core::Size  protocol_id,
core::Size  batch_id,
string const &  batch_name,
string const &  batch_description,
utility::vector1< FeaturesReporterOP features_reporters,
sessionOP  db_session 
)

write the given protocol and batch ids to the database. The protocol and batches features reporters will check for an existing entry with the same key, and write if one does not exist. Not recommended for parallel use as it is subject to race conditions (due to the nature of 'insert or ignore' type database writing)

References write_batch_reports_table(), and write_features_reporters_table().

Referenced by protocols::features::ReportToDB::apply().

◆ struct_ids_from_tag() [1/2]

utility::vector1<StructureID> protocols::features::struct_ids_from_tag ( sessionOP  db_session,
string const &  tag 
)

◆ struct_ids_from_tag() [2/2]

utility::vector1<StructureID> protocols::features::struct_ids_from_tag ( utility::sql_database::sessionOP  db_session,
std::string const &  tag 
)

◆ TR() [1/29]

static Tracer protocols::features::TR ( "protocols.features.AtomAtomPairFeatures"  )
static

Referenced by protocols::features::ReportToDB::apply(), protocols::features::ProteinResidueConformationFeatures::check_num_requested_atoms(), protocols::features::InterfaceDdGMover::compute(), protocols::features::StructureScoresFeatures::compute_energies(), protocols::features::ModelFeatures::find_segments(), protocols::features::InterfaceFeatures::get_all_pose_chains(), protocols::features::helixAssembly::HelixBundleFeatures::get_helices(), protocols::features::InterfaceDdGMover::get_movable_jumps(), get_protocol_and_batch_id(), get_write_delete_pair(), protocols::features::ReportToDB::initialize_pose(), protocols::features::ReportToDB::initialize_relevant_residues(), protocols::features::DdGFeatures::insert_ddG_rows(), protocols::features::ResidueTotalScoresFeatures::insert_residue_total_scores_rows(), protocols::features::TaskOperationFeatures::insert_task_operation_residue_effects_row(), protocols::features::TaskOperationFeatures::insert_task_operations_row(), protocols::features::PoseConformationFeatures::load_chain_endings(), protocols::features::ProteinResidueConformationFeatures::load_conformation(), protocols::features::PoseConformationFeatures::load_fold_tree(), protocols::features::PoseConformationFeatures::load_jumps(), protocols::features::PdbDataFeatures::load_residue_pdb_confidence(), protocols::features::PoseConformationFeatures::load_sequence(), protocols::features::InterfaceFeatures::make_interface_combos(), protocols::features::InterfaceDdGMover::mutation_list(), protocols::features::ReportToDB::parse_batch_name_tag_item(), protocols::features::InterfaceDdGMover::parse_my_tag(), protocols::features::ReportToDB::parse_my_tag(), protocols::features::RotamerRecoveryFeatures::parse_my_tag(), protocols::features::WaterFeatures::parse_my_tag(), protocols::features::InterfaceFeatures::report_all_interface_features(), protocols::features::AtomAtomPairFeatures::report_atom_pairs(), protocols::features::ReportToDB::report_features(), protocols::features::WaterFeatures::report_features(), protocols::features::ModelFeatures::report_features(), protocols::features::HBondFeatures::report_features(), protocols::features::helixAssembly::HelixBundleFeatures::report_features(), protocols::features::RotamerFeatures::report_features(), protocols::features::TaskOperationFeatures::report_features(), protocols::features::BatchFeatures::report_features(), protocols::features::ProtocolFeatures::report_features(), protocols::features::SimpleMetricFeatures::report_general_features(), protocols::features::ProteinResidueConformationFeatures::set_coords_for_residues(), protocols::features::UnrecognizedAtomFeatures::UnrecognizedAtomFeatures(), protocols::features::helixAssembly::HelixBundleFeatures::validate_bundle(), protocols::features::ProteinSilentReport::write_full_report(), protocols::features::SimpleMetricFeatures::write_per_residue_data_row(), protocols::features::StructureFeatures::write_schema_to_db(), protocols::features::TaskOperationFeatures::write_schema_to_db(), protocols::features::TaskOperationFeatures::write_task_operation_residue_effects_table_schema(), and protocols::features::TaskOperationFeatures::write_task_operations_table_schema().

◆ TR() [2/29]

static Tracer protocols::features::TR ( "protocols.features.AtomTypesFeatures"  )
static

◆ TR() [3/29]

static basic::Tracer protocols::features::TR ( "protocols.features.BatchFeatures"  )
static

◆ TR() [4/29]

static basic::Tracer protocols::features::TR ( "protocols.features.DatabaseFilters"  )
static

◆ TR() [5/29]

static basic::Tracer protocols::features::TR ( "protocols.features.DdGFeatures"  )
static

◆ TR() [6/29]

static Tracer protocols::features::TR ( "protocols.features.FeaturesReporter"  )
static

◆ tr() [1/3]

static basic::Tracer protocols::features::tr ( "protocols.features.FeaturesReporterFactory"  )
static

◆ TR() [7/29]

static Tracer protocols::features::TR ( "protocols.features.HBondFeatures"  )
static

◆ TR() [8/29]

static Tracer protocols::features::TR ( "protocols.features.HBondParameterFeatures"  )
static

◆ TR() [9/29]

static basic::Tracer protocols::features::TR ( "protocols.features.LoopAnchorFeatures"  )
static

◆ TR() [10/29]

static basic::Tracer protocols::features::TR ( "protocols.features.PdbDataFeatures"  )
static

◆ TR() [11/29]

static basic::Tracer protocols::features::TR ( "protocols.features.PoseConformationFeatures"  )
static

◆ TR() [12/29]

static basic::Tracer protocols::features::TR ( "protocols.features.ProteinBondGeometry"  )
static

◆ TR() [13/29]

static basic::Tracer protocols::features::TR ( "protocols.features.ProteinResidueConformationFeatures"  )
static

◆ tr() [2/3]

static basic::Tracer protocols::features::tr ( "protocols.features.ProteinRMSDFeatures"  )
static

◆ tr() [3/3]

static basic::Tracer protocols::features::tr ( "protocols.features.ProteinRMSDNoSuperpositionFeatures"  )
static

◆ TR() [14/29]

static basic::Tracer protocols::features::TR ( "protocols.features.ProteinSilentReport"  )
static

◆ TR() [15/29]

static Tracer protocols::features::TR ( "protocols.features.ReportToDB"  )
static

◆ TR() [16/29]

static basic::Tracer protocols::features::TR ( "protocols.features.ResidueFeatures"  )
static

◆ TR() [17/29]

static Tracer protocols::features::TR ( "protocols.features.ResidueSecondaryStructureFeatures"  )
static

◆ TR() [18/29]

static basic::Tracer protocols::features::TR ( "protocols.features.ResidueTotalScoresFeatures"  )
static

◆ TR() [19/29]

static Tracer protocols::features::TR ( "protocols.features.ResidueTypesFeatures"  )
static

◆ TR() [20/29]

static basic::Tracer protocols::features::TR ( "protocols.features.RotamerFeatures"  )
static

◆ TR() [21/29]

static Tracer protocols::features::TR ( "protocols.features.RotamerRecoveryFeatures"  )
static

◆ TR() [22/29]

static basic::Tracer protocols::features::TR ( "protocols.features.SimpleMetricFeatures"  )
static

◆ TR() [23/29]

static basic::Tracer protocols::features::TR ( "protocols.features.SmotifFeatures"  )
static

◆ TR() [24/29]

static basic::Tracer protocols::features::TR ( "protocols.features.StructureScoresFeatures"  )
static

◆ TR() [25/29]

static Tracer protocols::features::TR ( "protocols.features.TaskOperationFeatures"  )
static

◆ TR() [26/29]

static basic::Tracer protocols::features::TR ( "protocols.features.TrajectoryMapFeatures"  )
static

◆ TR() [27/29]

static basic::Tracer protocols::features::TR ( "protocols.features.TrajectoryReportToDB"  )
static

◆ TR() [28/29]

static basic::Tracer protocols::features::TR ( "protocols.features.UnrecognizedAtomFeatures"  )
static

◆ TR() [29/29]

static Tracer protocols::features::TR ( "protocols.features.util"  )
static

◆ write_batch_reports_table()

void protocols::features::write_batch_reports_table ( utility::vector1< FeaturesReporterOP features_reporters,
core::Size  batch_id,
utility::sql_database::sessionOP  db_session 
)

write the linking table between features reporters and batches. This happens here so that the protocol/batch id framework can be used to prevent duplicate key entries. This function gets called when the batch id is written.

Referenced by get_protocol_and_batch_id(), and set_protocol_and_batch_id().

◆ write_features_reporters_table()

void protocols::features::write_features_reporters_table ( utility::vector1< FeaturesReporterOP features_reporters,
utility::sql_database::sessionOP  db_session 
)

@detail The 'features_reporters' table lists the type_names of the all defined features reporters. The 'batch_reports' table link the features reporters with each batch defined in the 'batches' table.

Referenced by get_protocol_and_batch_id(), and set_protocol_and_batch_id().

◆ xsd_type_definition_w_attributes()

void protocols::features::xsd_type_definition_w_attributes ( utility::tag::XMLSchemaDefinition &  xsd,
std::string const &  features_reporter_type,
std::string const &  description,
utility::tag::AttributeList const &  attributes 
)

Define the XML schema definition for a Features_Reporter that contains no subtags but may contain any number of attributes (aka options).

References complex_type_name_for_features_reporter().

Referenced by protocols::antibody::AntibodyFeatures::provide_xml_schema(), protocols::antibody::clusters::CDRClusterFeatures::provide_xml_schema(), protocols::features::AtomAtomPairFeatures::provide_xml_schema(), protocols::features::AtomInResidueAtomInResiduePairFeatures::provide_xml_schema(), protocols::features::AtomTypesFeatures::provide_xml_schema(), protocols::features::BetaTurnDetectionFeatures::provide_xml_schema(), protocols::features::ChargeChargeFeatures::provide_xml_schema(), protocols::features::DdGFeatures::provide_xml_schema(), protocols::features::GeometricSolvationFeatures::provide_xml_schema(), protocols::features::HBondFeatures::provide_xml_schema(), protocols::features::HBondParameterFeatures::provide_xml_schema(), protocols::features::helixAssembly::ConcurrencyTest::provide_xml_schema(), protocols::features::helixAssembly::HelixBundleFeatures::provide_xml_schema(), protocols::features::HelixCapFeatures::provide_xml_schema(), protocols::features::InterfaceFeatures::provide_xml_schema(), protocols::features::JobDataFeatures::provide_xml_schema(), protocols::features::LoopAnchorFeatures::provide_xml_schema(), protocols::features::ModelFeatures::provide_xml_schema(), protocols::features::OrbitalsFeatures::provide_xml_schema(), protocols::features::PairFeatures::provide_xml_schema(), protocols::features::PdbDataFeatures::provide_xml_schema(), protocols::features::PoseCommentsFeatures::provide_xml_schema(), protocols::features::PoseConformationFeatures::provide_xml_schema(), protocols::features::ProteinBackboneAtomAtomPairFeatures::provide_xml_schema(), protocols::features::ProteinBackboneTorsionAngleFeatures::provide_xml_schema(), protocols::features::ProteinBondGeometryFeatures::provide_xml_schema(), protocols::features::ProteinResidueConformationFeatures::provide_xml_schema(), protocols::features::ProteinRMSDFeatures::provide_xml_schema(), protocols::features::ProteinRMSDNoSuperpositionFeatures::provide_xml_schema(), protocols::features::RadiusOfGyrationFeatures::provide_xml_schema(), protocols::features::ResidueBurialFeatures::provide_xml_schema(), protocols::features::ResidueConformationFeatures::provide_xml_schema(), protocols::features::ResidueFeatures::provide_xml_schema(), protocols::features::ResidueGridScoresFeatures::provide_xml_schema(), protocols::features::ResidueScoresFeatures::provide_xml_schema(), protocols::features::ResidueSecondaryStructureFeatures::provide_xml_schema(), protocols::features::ResidueTotalScoresFeatures::provide_xml_schema(), protocols::features::ResidueTypesFeatures::provide_xml_schema(), protocols::features::RotamerBoltzmannWeightFeatures::provide_xml_schema(), protocols::features::RotamerFeatures::provide_xml_schema(), protocols::features::RotamerRecoveryFeatures::provide_xml_schema(), protocols::features::RuntimeFeatures::provide_xml_schema(), protocols::features::SaltBridgeFeatures::provide_xml_schema(), protocols::features::ScoreFunctionFeatures::provide_xml_schema(), protocols::features::ScoreTypeFeatures::provide_xml_schema(), protocols::features::SecondaryStructureSegmentFeatures::provide_xml_schema(), protocols::features::SmotifFeatures::provide_xml_schema(), protocols::features::strand_assembly::SandwichFeatures::provide_xml_schema(), protocols::features::strand_assembly::StrandBundleFeatures::provide_xml_schema(), protocols::features::StructureFeatures::provide_xml_schema(), protocols::features::StructureScoresFeatures::provide_xml_schema(), protocols::features::TaskOperationFeatures::provide_xml_schema(), protocols::features::TotalScoreFeatures::provide_xml_schema(), protocols::features::TrajectoryMapFeatures::provide_xml_schema(), protocols::features::UnrecognizedAtomFeatures::provide_xml_schema(), and protocols::features::WaterFeatures::provide_xml_schema().

◆ xsd_type_definition_w_attributes_and_repeatable_subelements()

void protocols::features::xsd_type_definition_w_attributes_and_repeatable_subelements ( utility::tag::XMLSchemaDefinition &  xsd,
std::string const &  features_reporter_type,
std::string const &  description,
utility::tag::AttributeList const &  attributes,
utility::tag::XMLSchemaSimpleSubelementList const &  subelements 
)

Variable Documentation

◆ protocol_table_initialized_

bool protocols::features::protocol_table_initialized_ = false

◆ static_batch_id_map_

map<string, core::Size> protocols::features::static_batch_id_map_

◆ static_protocol_id_

Size protocols::features::static_protocol_id_ = 0

Macros are not properly caught and passed along by my #inclusion cleanup script