Rosetta
|
Namespaces | |
helixAssembly | |
RelevantResiduesMode | |
strand_assembly | |
Typedefs | |
typedef utility::pointer::shared_ptr< AtomAtomPairFeatures > | AtomAtomPairFeaturesOP |
typedef utility::pointer::shared_ptr< AtomAtomPairFeatures const > | AtomAtomPairFeaturesCOP |
typedef utility::pointer::shared_ptr< AtomInResidueAtomInResiduePairFeatures > | AtomInResidueAtomInResiduePairFeaturesOP |
typedef utility::pointer::shared_ptr< AtomInResidueAtomInResiduePairFeatures const > | AtomInResidueAtomInResiduePairFeaturesCOP |
typedef utility::pointer::shared_ptr< AtomTypesFeatures > | AtomTypesFeaturesOP |
typedef utility::pointer::shared_ptr< AtomTypesFeatures const > | AtomTypesFeaturesCOP |
typedef utility::pointer::shared_ptr< BatchFeatures > | BatchFeaturesOP |
typedef utility::pointer::shared_ptr< BatchFeatures const > | BatchFeaturesCOP |
typedef utility::pointer::shared_ptr< BetaTurnDetection > | BetaTurnDetectionOP |
typedef utility::pointer::shared_ptr< BetaTurnDetection const > | BetaTurnDetectionCOP |
typedef utility::pointer::shared_ptr< BetaTurnDetectionFeatures > | BetaTurnDetectionFeaturesOP |
typedef utility::pointer::shared_ptr< BetaTurnDetectionFeatures const > | BetaTurnDetectionFeaturesCOP |
typedef utility::pointer::shared_ptr< ChargeChargeFeatures > | ChargeChargeFeaturesOP |
typedef utility::pointer::shared_ptr< ChargeChargeFeatures const > | ChargeChargeFeaturesCOP |
typedef utility::pointer::shared_ptr< DatabaseFilter > | DatabaseFilterOP |
typedef utility::pointer::shared_ptr< DatabaseFilter const > | DatabaseFilterCOP |
typedef std::pair< bool, utility::vector1< StructureID > > | WriteDeletePair |
typedef utility::pointer::shared_ptr< DatabaseJobInputter > | DatabaseJobInputterOP |
typedef utility::pointer::shared_ptr< DatabaseJobOutputter > | DatabaseJobOutputterOP |
typedef utility::pointer::shared_ptr< DdGFeatures > | DdGFeaturesOP |
typedef utility::pointer::shared_ptr< DdGFeatures const > | DdGFeaturesCOP |
typedef utility::pointer::shared_ptr< FeaturesReporter > | FeaturesReporterOP |
typedef utility::pointer::shared_ptr< FeaturesReporter const > | FeaturesReporterCOP |
typedef std::uint64_t | StructureID |
typedef utility::pointer::shared_ptr< FeaturesReporterCreator > | FeaturesReporterCreatorOP |
typedef utility::pointer::shared_ptr< FeaturesReporterCreator const > | FeaturesReporterCreatorCOP |
typedef utility::pointer::shared_ptr< GeometricSolvationFeatures > | GeometricSolvationFeaturesOP |
typedef utility::pointer::shared_ptr< GeometricSolvationFeatures const > | GeometricSolvationFeaturesCOP |
typedef utility::pointer::shared_ptr< HBondFeatures > | HBondFeaturesOP |
typedef utility::pointer::shared_ptr< HBondFeatures const > | HBondFeaturesCOP |
typedef utility::pointer::shared_ptr< HBondParameterFeatures > | HBondParameterFeaturesOP |
typedef utility::pointer::shared_ptr< HBondParameterFeatures const > | HBondParameterFeaturesCOP |
typedef utility::pointer::shared_ptr< InterfaceDdGMover > | InterfaceDdGMoverOP |
typedef utility::pointer::shared_ptr< InterfaceDdGMover const > | InterfaceDdGMoverCOP |
typedef utility::pointer::shared_ptr< protocols::features::InterfaceFeatures > | InterfaceFeaturesOP |
typedef utility::pointer::shared_ptr< InterfaceFeatures const > | InterfaceFeaturesCOP |
typedef utility::pointer::shared_ptr< JobDataFeatures > | JobDataFeaturesOP |
typedef utility::pointer::shared_ptr< JobDataFeatures const > | JobDataFeaturesCOP |
typedef utility::pointer::shared_ptr< LoopAnchorFeatures > | LoopAnchorFeaturesOP |
typedef utility::pointer::shared_ptr< LoopAnchorFeatures const > | LoopAnchorFeaturesCOP |
typedef utility::pointer::shared_ptr< ModelFeatures > | ModelFeaturesOP |
typedef utility::pointer::shared_ptr< ModelFeatures const > | ModelFeaturesCOP |
typedef boost::undirected_graph< core::Size > | SegmentGraph |
typedef boost::graph_traits< SegmentGraph >::vertex_descriptor | SegmentVertex |
typedef boost::graph_traits< SegmentGraph >::edge_descriptor | InteractionEdge |
typedef utility::pointer::shared_ptr< OrbitalsFeatures > | OrbitalsFeaturesOP |
typedef utility::pointer::shared_ptr< OrbitalsFeatures const > | OrbitalsFeaturesCOP |
typedef utility::pointer::shared_ptr< PairFeatures > | PairFeaturesOP |
typedef utility::pointer::shared_ptr< PairFeatures const > | PairFeaturesCOP |
typedef utility::pointer::shared_ptr< PdbDataFeatures > | PdbDataFeaturesOP |
typedef utility::pointer::shared_ptr< PoseCommentsFeatures > | PoseCommentsFeaturesOP |
typedef utility::pointer::shared_ptr< PoseCommentsFeatures const > | PoseCommentsFeaturesCOP |
typedef utility::pointer::shared_ptr< PoseConformationFeatures > | PoseConformationFeaturesOP |
typedef utility::pointer::shared_ptr< PoseConformationFeatures const > | PoseConformationFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinBackboneAtomAtomPairFeatures > | ProteinBackboneAtomAtomPairFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinBackboneAtomAtomPairFeatures const > | ProteinBackboneAtomAtomPairFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinBackboneTorsionAngleFeatures > | ProteinBackboneTorsionAngleFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinBackboneTorsionAngleFeatures const > | ProteinBackboneTorsionAngleFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinBondGeometryFeatures > | ProteinBondGeometryFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinBondGeometryFeatures const > | ProteinBondGeometryFeaturesCOP |
typedef utility::pointer::shared_ptr< BondAngleDatabase > | BondAngleDatabaseOP |
typedef utility::pointer::shared_ptr< ProteinResidueConformationFeatures > | ProteinResidueConformationFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinResidueConformationFeatures const > | ProteinResidueConformationFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinRMSDFeatures > | ProteinRMSDFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinRMSDFeatures const > | ProteinRMSDFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinRMSDNoSuperpositionFeatures > | ProteinRMSDNoSuperpositionFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinRMSDNoSuperpositionFeatures const > | ProteinRMSDNoSuperpositionFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinSilentReport > | ProteinSilentReportOP |
typedef utility::pointer::shared_ptr< ProteinSilentReport const > | ProteinSilentReportCOP |
typedef utility::pointer::shared_ptr< ProtocolFeatures > | ProtocolFeaturesOP |
typedef utility::pointer::shared_ptr< ProtocolFeatures const > | ProtocolFeaturesCOP |
typedef utility::pointer::shared_ptr< RadiusOfGyrationFeatures > | RadiusOfGyrationFeaturesOP |
typedef utility::pointer::shared_ptr< RadiusOfGyrationFeatures const > | RadiusOfGyrationFeaturesCOP |
typedef utility::pointer::shared_ptr< Report > | ReportOP |
typedef utility::pointer::shared_ptr< Report const > | ReportCOP |
typedef utility::pointer::shared_ptr< ReportToDB > | ReportToDBOP |
typedef utility::pointer::shared_ptr< ReportToDB const > | ReportToDBCOP |
typedef utility::pointer::shared_ptr< ResidueBurialFeatures > | ResidueBurialFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueBurialFeatures const > | ResidueBurialFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueConformationFeatures > | ResidueConformationFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueConformationFeatures const > | ResidueConformationFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueFeatures > | ResidueFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueFeatures const > | ResidueFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueGridScoresFeatures > | ResidueGridScoresFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueGridScoresFeatures const > | ResidueGridScoresFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueScoresFeatures > | ResidueScoresFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueScoresFeatures const > | ResidueScoresFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueSecondaryStructureFeatures > | ResidueSecondaryStructureFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueSecondaryStructureFeatures const > | ResidueSecondaryStructureFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueTotalScoresFeatures > | ResidueTotalScoresFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueTotalScoresFeatures const > | ResidueTotalScoresFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueTypesFeatures > | ResidueTypesFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueTypesFeatures const > | ResidueTypesFeaturesCOP |
typedef utility::pointer::shared_ptr< RotamerBoltzmannWeightFeatures > | RotamerBoltzmannWeightFeaturesOP |
typedef utility::pointer::shared_ptr< RotamerBoltzmannWeightFeatures const > | RotamerBoltzmannWeightFeaturesCOP |
typedef utility::pointer::shared_ptr< RotamerFeatures > | RotamerFeaturesOP |
typedef utility::pointer::shared_ptr< RotamerFeatures const > | RotamerFeaturesCOP |
typedef utility::pointer::shared_ptr< RotamerRecoveryFeatures > | RotamerRecoveryFeaturesOP |
typedef utility::pointer::shared_ptr< RotamerRecoveryFeatures const > | RotamerRecoveryFeaturesCOP |
typedef utility::pointer::shared_ptr< RuntimeFeatures > | RuntimeFeaturesOP |
typedef utility::pointer::shared_ptr< RuntimeFeatures const > | RuntimeFeaturesCOP |
typedef utility::pointer::shared_ptr< SaltBridgeFeatures > | SaltBridgeFeaturesOP |
typedef utility::pointer::shared_ptr< SaltBridgeFeatures const > | SaltBridgeFeaturesCOP |
typedef utility::pointer::shared_ptr< ScoreFunctionFeatures > | ScoreFunctionFeaturesOP |
typedef utility::pointer::shared_ptr< ScoreFunctionFeatures const > | ScoreFunctionFeaturesCOP |
typedef utility::pointer::shared_ptr< ScoreTypeFeatures > | ScoreTypeFeaturesOP |
typedef utility::pointer::shared_ptr< ScoreTypeFeatures const > | ScoreTypeFeaturesCOP |
typedef utility::pointer::shared_ptr< ScreeningFeatures > | ScreeningFeaturesOP |
typedef utility::pointer::shared_ptr< ScreeningFeatures const > | ScreeningFeaturesCOP |
typedef utility::pointer::shared_ptr< SecondaryStructureSegmentFeatures > | SecondaryStructureSegmentFeaturesOP |
typedef utility::pointer::shared_ptr< SecondaryStructureSegmentFeatures const > | SecondaryStructureSegmentFeaturesCOP |
typedef utility::pointer::shared_ptr< SimpleMetricFeatures > | SimpleMetricFeaturesOP |
typedef utility::pointer::shared_ptr< SimpleMetricFeatures const > | SimpleMetricFeaturesCOP |
typedef utility::pointer::shared_ptr< StructureFeatures > | StructureFeaturesOP |
typedef utility::pointer::shared_ptr< StructureFeatures const > | StructureFeaturesCOP |
typedef utility::pointer::shared_ptr< StructureScoresFeatures > | StructureScoresFeaturesOP |
typedef utility::pointer::shared_ptr< StructureScoresFeatures const > | StructureScoresFeaturesCOP |
typedef utility::pointer::shared_ptr< TaskOperationFeatures > | TaskOperationFeaturesOP |
typedef utility::pointer::shared_ptr< TaskOperationFeatures const > | TaskOperationFeaturesCOP |
typedef utility::pointer::shared_ptr< TotalScoreFeatures > | TotalScoreFeaturesOP |
typedef utility::pointer::shared_ptr< TotalScoreFeatures const > | TotalScoreFeaturesCOP |
typedef utility::pointer::shared_ptr< TrajectoryMapFeatures > | TrajectoryMapFeaturesOP |
typedef utility::pointer::shared_ptr< TrajectoryMapFeatures const > | TrajectoryMapFeaturesCOP |
typedef utility::pointer::shared_ptr< TrajectoryReportToDB > | TrajectoryReportToDBOP |
typedef utility::pointer::shared_ptr< TrajectoryReportToDB const > | TrajectoryReportToDBCOP |
typedef utility::pointer::shared_ptr< UnrecognizedAtomFeatures > | UnrecognizedAtomFeaturesOP |
typedef utility::pointer::shared_ptr< UnrecognizedAtomFeatures const > | UnrecognizedAtomFeaturesCOP |
typedef utility::pointer::shared_ptr< WaterFeatures > | WaterFeaturesOP |
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 > | |
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::Size > | 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. 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::Size > | deserialize_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< StructureID > | struct_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::Size > | 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. More... | |
core::Size | get_batch_id (StructureID struct_id, utility::sql_database::sessionOP db_session) |
utility::vector1< StructureID > | struct_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::Size > | static_batch_id_map_ |
typedef utility::pointer::shared_ptr< AtomAtomPairFeatures const > protocols::features::AtomAtomPairFeaturesCOP |
typedef utility::pointer::shared_ptr< AtomAtomPairFeatures > protocols::features::AtomAtomPairFeaturesOP |
typedef utility::pointer::shared_ptr< AtomInResidueAtomInResiduePairFeatures const > protocols::features::AtomInResidueAtomInResiduePairFeaturesCOP |
typedef utility::pointer::shared_ptr< AtomInResidueAtomInResiduePairFeatures > protocols::features::AtomInResidueAtomInResiduePairFeaturesOP |
typedef utility::pointer::shared_ptr< AtomTypesFeatures const > protocols::features::AtomTypesFeaturesCOP |
typedef utility::pointer::shared_ptr< AtomTypesFeatures > protocols::features::AtomTypesFeaturesOP |
typedef utility::pointer::shared_ptr< BatchFeatures const > protocols::features::BatchFeaturesCOP |
typedef utility::pointer::shared_ptr< BatchFeatures > protocols::features::BatchFeaturesOP |
typedef utility::pointer::shared_ptr< BetaTurnDetection const > protocols::features::BetaTurnDetectionCOP |
typedef utility::pointer::shared_ptr< BetaTurnDetectionFeatures const > protocols::features::BetaTurnDetectionFeaturesCOP |
typedef utility::pointer::shared_ptr< BetaTurnDetectionFeatures > protocols::features::BetaTurnDetectionFeaturesOP |
typedef utility::pointer::shared_ptr< BetaTurnDetection > protocols::features::BetaTurnDetectionOP |
typedef utility::pointer::shared_ptr< BondAngleDatabase > protocols::features::BondAngleDatabaseOP |
typedef utility::pointer::shared_ptr< ChargeChargeFeatures const > protocols::features::ChargeChargeFeaturesCOP |
typedef utility::pointer::shared_ptr< ChargeChargeFeatures > protocols::features::ChargeChargeFeaturesOP |
typedef utility::pointer::shared_ptr< DatabaseFilter const > protocols::features::DatabaseFilterCOP |
typedef utility::pointer::shared_ptr< DatabaseFilter > protocols::features::DatabaseFilterOP |
typedef utility::pointer::shared_ptr< DatabaseJobInputter > protocols::features::DatabaseJobInputterOP |
typedef utility::pointer::shared_ptr< DatabaseJobOutputter > protocols::features::DatabaseJobOutputterOP |
typedef utility::pointer::shared_ptr< DdGFeatures const > protocols::features::DdGFeaturesCOP |
typedef utility::pointer::shared_ptr< DdGFeatures > protocols::features::DdGFeaturesOP |
typedef utility::pointer::shared_ptr< FeaturesReporter const > protocols::features::FeaturesReporterCOP |
typedef utility::pointer::shared_ptr< FeaturesReporterCreator const > protocols::features::FeaturesReporterCreatorCOP |
typedef utility::pointer::shared_ptr< FeaturesReporterCreator > protocols::features::FeaturesReporterCreatorOP |
typedef utility::pointer::shared_ptr< FeaturesReporter > protocols::features::FeaturesReporterOP |
typedef utility::pointer::shared_ptr< GeometricSolvationFeatures const > protocols::features::GeometricSolvationFeaturesCOP |
typedef utility::pointer::shared_ptr< GeometricSolvationFeatures > protocols::features::GeometricSolvationFeaturesOP |
typedef utility::pointer::shared_ptr< HBondFeatures const > protocols::features::HBondFeaturesCOP |
typedef utility::pointer::shared_ptr< HBondFeatures > protocols::features::HBondFeaturesOP |
typedef utility::pointer::shared_ptr< HBondParameterFeatures const > protocols::features::HBondParameterFeaturesCOP |
typedef utility::pointer::shared_ptr< HBondParameterFeatures > protocols::features::HBondParameterFeaturesOP |
typedef boost::graph_traits<SegmentGraph>::edge_descriptor protocols::features::InteractionEdge |
typedef utility::pointer::shared_ptr< InterfaceDdGMover const > protocols::features::InterfaceDdGMoverCOP |
typedef utility::pointer::shared_ptr< InterfaceDdGMover > protocols::features::InterfaceDdGMoverOP |
typedef utility::pointer::shared_ptr< InterfaceFeatures const > protocols::features::InterfaceFeaturesCOP |
typedef utility::pointer::shared_ptr< protocols::features::InterfaceFeatures > protocols::features::InterfaceFeaturesOP |
typedef utility::pointer::shared_ptr<JobDataFeatures const> protocols::features::JobDataFeaturesCOP |
typedef utility::pointer::shared_ptr<JobDataFeatures> protocols::features::JobDataFeaturesOP |
typedef utility::pointer::shared_ptr< LoopAnchorFeatures const > protocols::features::LoopAnchorFeaturesCOP |
typedef utility::pointer::shared_ptr< LoopAnchorFeatures > protocols::features::LoopAnchorFeaturesOP |
typedef utility::pointer::shared_ptr< ModelFeatures const > protocols::features::ModelFeaturesCOP |
typedef utility::pointer::shared_ptr< ModelFeatures > protocols::features::ModelFeaturesOP |
typedef utility::pointer::shared_ptr< OrbitalsFeatures const > protocols::features::OrbitalsFeaturesCOP |
typedef utility::pointer::shared_ptr< OrbitalsFeatures > protocols::features::OrbitalsFeaturesOP |
typedef utility::pointer::shared_ptr< PairFeatures const > protocols::features::PairFeaturesCOP |
typedef utility::pointer::shared_ptr< PairFeatures > protocols::features::PairFeaturesOP |
typedef utility::pointer::shared_ptr< PdbDataFeatures > protocols::features::PdbDataFeaturesOP |
typedef utility::pointer::shared_ptr< PoseCommentsFeatures const > protocols::features::PoseCommentsFeaturesCOP |
typedef utility::pointer::shared_ptr< PoseCommentsFeatures > protocols::features::PoseCommentsFeaturesOP |
typedef utility::pointer::shared_ptr< PoseConformationFeatures const > protocols::features::PoseConformationFeaturesCOP |
typedef utility::pointer::shared_ptr< PoseConformationFeatures > protocols::features::PoseConformationFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinBackboneAtomAtomPairFeatures const > protocols::features::ProteinBackboneAtomAtomPairFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinBackboneAtomAtomPairFeatures > protocols::features::ProteinBackboneAtomAtomPairFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinBackboneTorsionAngleFeatures const > protocols::features::ProteinBackboneTorsionAngleFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinBackboneTorsionAngleFeatures > protocols::features::ProteinBackboneTorsionAngleFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinBondGeometryFeatures const > protocols::features::ProteinBondGeometryFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinBondGeometryFeatures > protocols::features::ProteinBondGeometryFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinResidueConformationFeatures const > protocols::features::ProteinResidueConformationFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinResidueConformationFeatures > protocols::features::ProteinResidueConformationFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinRMSDFeatures const > protocols::features::ProteinRMSDFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinRMSDFeatures > protocols::features::ProteinRMSDFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinRMSDNoSuperpositionFeatures const > protocols::features::ProteinRMSDNoSuperpositionFeaturesCOP |
typedef utility::pointer::shared_ptr< ProteinRMSDNoSuperpositionFeatures > protocols::features::ProteinRMSDNoSuperpositionFeaturesOP |
typedef utility::pointer::shared_ptr< ProteinSilentReport const > protocols::features::ProteinSilentReportCOP |
typedef utility::pointer::shared_ptr< ProteinSilentReport > protocols::features::ProteinSilentReportOP |
typedef utility::pointer::shared_ptr< ProtocolFeatures const > protocols::features::ProtocolFeaturesCOP |
typedef utility::pointer::shared_ptr< ProtocolFeatures > protocols::features::ProtocolFeaturesOP |
typedef utility::pointer::shared_ptr< RadiusOfGyrationFeatures const > protocols::features::RadiusOfGyrationFeaturesCOP |
typedef utility::pointer::shared_ptr< RadiusOfGyrationFeatures > protocols::features::RadiusOfGyrationFeaturesOP |
typedef utility::pointer::shared_ptr< Report const > protocols::features::ReportCOP |
typedef utility::pointer::shared_ptr< Report > protocols::features::ReportOP |
typedef utility::pointer::shared_ptr< ReportToDB const > protocols::features::ReportToDBCOP |
typedef utility::pointer::shared_ptr< ReportToDB > protocols::features::ReportToDBOP |
typedef utility::pointer::shared_ptr< ResidueBurialFeatures const > protocols::features::ResidueBurialFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueBurialFeatures > protocols::features::ResidueBurialFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueConformationFeatures const > protocols::features::ResidueConformationFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueConformationFeatures > protocols::features::ResidueConformationFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueFeatures const > protocols::features::ResidueFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueFeatures > protocols::features::ResidueFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueGridScoresFeatures const > protocols::features::ResidueGridScoresFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueGridScoresFeatures > protocols::features::ResidueGridScoresFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueScoresFeatures const > protocols::features::ResidueScoresFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueScoresFeatures > protocols::features::ResidueScoresFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueSecondaryStructureFeatures const > protocols::features::ResidueSecondaryStructureFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueSecondaryStructureFeatures > protocols::features::ResidueSecondaryStructureFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueTotalScoresFeatures const > protocols::features::ResidueTotalScoresFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueTotalScoresFeatures > protocols::features::ResidueTotalScoresFeaturesOP |
typedef utility::pointer::shared_ptr< ResidueTypesFeatures const > protocols::features::ResidueTypesFeaturesCOP |
typedef utility::pointer::shared_ptr< ResidueTypesFeatures > protocols::features::ResidueTypesFeaturesOP |
typedef utility::pointer::shared_ptr< RotamerBoltzmannWeightFeatures const > protocols::features::RotamerBoltzmannWeightFeaturesCOP |
typedef utility::pointer::shared_ptr< RotamerBoltzmannWeightFeatures > protocols::features::RotamerBoltzmannWeightFeaturesOP |
typedef utility::pointer::shared_ptr< RotamerFeatures const > protocols::features::RotamerFeaturesCOP |
typedef utility::pointer::shared_ptr< RotamerFeatures > protocols::features::RotamerFeaturesOP |
typedef utility::pointer::shared_ptr< RotamerRecoveryFeatures const > protocols::features::RotamerRecoveryFeaturesCOP |
typedef utility::pointer::shared_ptr< RotamerRecoveryFeatures > protocols::features::RotamerRecoveryFeaturesOP |
typedef utility::pointer::shared_ptr<RuntimeFeatures const> protocols::features::RuntimeFeaturesCOP |
typedef utility::pointer::shared_ptr<RuntimeFeatures> protocols::features::RuntimeFeaturesOP |
typedef utility::pointer::shared_ptr< SaltBridgeFeatures const > protocols::features::SaltBridgeFeaturesCOP |
typedef utility::pointer::shared_ptr< SaltBridgeFeatures > protocols::features::SaltBridgeFeaturesOP |
typedef utility::pointer::shared_ptr< ScoreFunctionFeatures const > protocols::features::ScoreFunctionFeaturesCOP |
typedef utility::pointer::shared_ptr< ScoreFunctionFeatures > protocols::features::ScoreFunctionFeaturesOP |
typedef utility::pointer::shared_ptr< ScoreTypeFeatures const > protocols::features::ScoreTypeFeaturesCOP |
typedef utility::pointer::shared_ptr< ScoreTypeFeatures > protocols::features::ScoreTypeFeaturesOP |
typedef utility::pointer::shared_ptr<ScreeningFeatures const> protocols::features::ScreeningFeaturesCOP |
typedef utility::pointer::shared_ptr<ScreeningFeatures> protocols::features::ScreeningFeaturesOP |
typedef utility::pointer::shared_ptr< SecondaryStructureSegmentFeatures const > protocols::features::SecondaryStructureSegmentFeaturesCOP |
typedef utility::pointer::shared_ptr< SecondaryStructureSegmentFeatures > protocols::features::SecondaryStructureSegmentFeaturesOP |
typedef boost::undirected_graph<core::Size> protocols::features::SegmentGraph |
typedef boost::graph_traits<SegmentGraph>::vertex_descriptor protocols::features::SegmentVertex |
typedef utility::pointer::shared_ptr< SimpleMetricFeatures const > protocols::features::SimpleMetricFeaturesCOP |
typedef utility::pointer::shared_ptr< SimpleMetricFeatures > protocols::features::SimpleMetricFeaturesOP |
typedef utility::pointer::shared_ptr< StructureFeatures const > protocols::features::StructureFeaturesCOP |
typedef utility::pointer::shared_ptr< StructureFeatures > protocols::features::StructureFeaturesOP |
typedef std::uint64_t protocols::features::StructureID |
typedef utility::pointer::shared_ptr< StructureScoresFeatures const > protocols::features::StructureScoresFeaturesCOP |
typedef utility::pointer::shared_ptr< StructureScoresFeatures > protocols::features::StructureScoresFeaturesOP |
typedef utility::pointer::shared_ptr< TaskOperationFeatures const > protocols::features::TaskOperationFeaturesCOP |
typedef utility::pointer::shared_ptr< TaskOperationFeatures > protocols::features::TaskOperationFeaturesOP |
typedef utility::pointer::shared_ptr<TotalScoreFeatures const> protocols::features::TotalScoreFeaturesCOP |
typedef utility::pointer::shared_ptr<TotalScoreFeatures> protocols::features::TotalScoreFeaturesOP |
typedef utility::pointer::shared_ptr< TrajectoryMapFeatures const > protocols::features::TrajectoryMapFeaturesCOP |
typedef utility::pointer::shared_ptr< TrajectoryMapFeatures > protocols::features::TrajectoryMapFeaturesOP |
typedef utility::pointer::shared_ptr< TrajectoryReportToDB const > protocols::features::TrajectoryReportToDBCOP |
typedef utility::pointer::shared_ptr< TrajectoryReportToDB > protocols::features::TrajectoryReportToDBOP |
typedef utility::pointer::shared_ptr< UnrecognizedAtomFeatures const > protocols::features::UnrecognizedAtomFeaturesCOP |
typedef utility::pointer::shared_ptr< UnrecognizedAtomFeatures > protocols::features::UnrecognizedAtomFeaturesOP |
typedef utility::pointer::shared_ptr< WaterFeatures const > protocols::features::WaterFeaturesCOP |
typedef utility::pointer::shared_ptr< WaterFeatures > protocols::features::WaterFeaturesOP |
typedef std::pair<bool, utility::vector1<StructureID> > protocols::features::WriteDeletePair |
std::string protocols::features::complex_type_name_for_features_reporter | ( | std::string const & | features_reporter_name | ) |
std::pair< core::Size, core::Size > protocols::features::deserialize_db_listener_data | ( | string | data | ) |
References protocols::sparta::split().
Referenced by get_protocol_and_batch_id().
utility::vector1< numeric::xyzVector< core::Real > > protocols::features::deserialize_xyz_coords | ( | std::string const & | data, |
core::Size | natoms | ||
) |
Referenced by protocols::features::ProteinResidueConformationFeatures::set_coords_for_residue_from_compact_schema(), and protocols::features::ResidueConformationFeatures::set_coords_for_residue_from_compact_schema().
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().
core::Size protocols::features::get_batch_id | ( | StructureID | struct_id, |
utility::sql_database::sessionOP | db_session | ||
) |
core::Real protocols::features::get_current_model_score | ( | core::pose::Pose const & | pose, |
core::Size | score_type_id | ||
) |
References core::pose::Pose::energies(), core::scoring::get_score_function(), core::pose::Pose::size(), and core::scoring::Energies::weights().
Referenced by get_write_delete_pair().
core::Size protocols::features::get_current_structure_count | ( | utility::sql_database::sessionOP | db_session, |
core::Size const & | protocol_id, | ||
std::string const & | input_tag | ||
) |
References get_something_from_database(), and get_structure_count_statement().
Referenced by get_write_delete_pair().
DatabaseFilterOP protocols::features::get_DB_filter_ptr | ( | ) |
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 | ||
) |
Referenced by get_struct_id_with_highest_score_from_job_data().
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 | ||
) |
Referenced by get_struct_id_with_highest_score_from_score_data().
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 | ||
) |
Referenced by get_struct_id_with_nth_lowest_score_from_job_data().
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 | ||
) |
Referenced by get_struct_id_with_nth_lowest_score_from_score_data().
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.
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().
std::string protocols::features::get_question_mark_string | ( | core::Size const | n | ) |
Returns (?,?,?) With question marks of length n to help create database query.
Referenced by protocols::antibody::AntibodyDatabaseManager::load_cdr_poses(), protocols::antibody::AntibodyFeatures::report_ab_H3_kink_metrics_features(), protocols::antibody::AntibodyFeatures::report_ab_metrics_features(), protocols::antibody::AntibodyFeatures::report_cdr_metrics_features(), protocols::antibody::AntibodyFeatures::report_cdr_residue_features_row(), protocols::features::SimpleMetricFeatures::report_general_features(), protocols::features::InterfaceFeatures::report_interface_features(), protocols::features::InterfaceFeatures::report_interface_side_features(), protocols::features::InterfaceFeatures::write_interface_residue_data_row_to_db(), and protocols::features::SimpleMetricFeatures::write_per_residue_data_row().
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 | ||
) |
References get_something_from_database().
Referenced by get_write_delete_pair().
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 | ||
) |
References get_something_from_database().
Referenced by get_write_delete_pair().
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 | ||
) |
References get_something_from_database().
Referenced by get_write_delete_pair().
T protocols::features::get_something_from_database | ( | cppdb::statement | statement, |
T | |||
) |
Referenced by get_current_structure_count(), get_score_for_struct_id_and_score_term_from_job_data(), get_score_for_struct_id_and_score_term_from_score_data(), get_score_type_id_from_score_term(), get_struct_id_with_highest_score_from_job_data(), get_struct_id_with_highest_score_from_score_data(), get_struct_id_with_nth_lowest_score_from_job_data(), and get_struct_id_with_nth_lowest_score_from_score_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 | ||
) |
References get_highest_score_from_job_data_statement(), and get_something_from_database().
Referenced by get_write_delete_pair().
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 | ||
) |
References get_highest_score_from_score_data_statement(), get_something_from_database(), and core::id::to_string().
Referenced by get_write_delete_pair().
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 | ||
) |
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 | ||
) |
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 | ||
) |
References get_nth_lowest_score_from_job_data_statement(), get_something_from_database(), and core::id::to_string().
Referenced by get_struct_id_with_lowest_score_from_job_data(), and get_write_delete_pair().
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 | ||
) |
cppdb::statement protocols::features::get_structure_count_statement | ( | utility::sql_database::sessionOP | db_session, |
std::string const & | input_tag, | ||
core::Size const & | protocol_id | ||
) |
Referenced by get_current_structure_count().
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 = "" |
||
) |
References get_current_model_score(), get_current_structure_count(), get_score_for_struct_id_and_score_term_from_job_data(), get_score_for_struct_id_and_score_term_from_score_data(), get_score_type_id_from_score_term(), protocols::jd2::get_string_real_pairs_from_current_job(), get_struct_id_with_highest_score_from_job_data(), get_struct_id_with_highest_score_from_score_data(), get_struct_id_with_nth_lowest_score_from_job_data(), get_struct_id_with_nth_lowest_score_from_score_data(), and TR().
Referenced by protocols::features::TopCountOfEachInput::operator()(), and protocols::features::TopCountOfAllInputs::operator()().
std::string protocols::features::serialize_ids | ( | int | protocol_id, |
string | batch_name, | ||
core::Size | batch_id | ||
) |
References core::id::to_string().
Referenced by get_protocol_and_batch_id().
std::string protocols::features::serialize_residue_xyz_coords | ( | core::conformation::Residue const & | residue | ) |
References core::conformation::Residue::natoms(), protocols::stepwise::modeler::rna::output_data(), and core::conformation::Residue::xyz().
Referenced by protocols::features::ProteinResidueConformationFeatures::report_features(), and protocols::features::ResidueConformationFeatures::report_features().
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)
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().
utility::vector1<StructureID> protocols::features::struct_ids_from_tag | ( | sessionOP | db_session, |
string const & | tag | ||
) |
utility::vector1<StructureID> protocols::features::struct_ids_from_tag | ( | utility::sql_database::sessionOP | db_session, |
std::string const & | tag | ||
) |
|
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().
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
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().
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().
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().
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 | ||
) |
bool protocols::features::protocol_table_initialized_ = false |
map<string, core::Size> protocols::features::static_batch_id_map_ |
Size protocols::features::static_protocol_id_ = 0 |
Macros are not properly caught and passed along by my #inclusion cleanup script