Rosetta
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#include <ModelFeatures.hh>
Public Member Functions | |
ModelFeatures () | |
utility::vector1< std::string > | features_reporter_dependencies () const override |
return the set of features reporters that are required to also already be extracted by the time this one is used. More... | |
void | write_schema_to_db (utility::sql_database::sessionOP db_session) const override |
generate the table schemas and write them to the database More... | |
utility::vector1< Segment > | find_segments (protocols::features::StructureID struct_id, utility::sql_database::sessionOP db_session) |
get the vector of beginnings/ends of secondary structure segments More... | |
void | trim_pose (core::pose::Pose &pose, std::set< core::Size > resnums) const |
for testing purposes only More... | |
core::Size | report_features (core::pose::Pose const &pose, utility::vector1< bool > const &relevant_residues, protocols::features::StructureID struct_id, utility::sql_database::sessionOP db_session) override |
collect all the feature data for the pose More... | |
void | write_clique_to_db (std::set< core::Size > const &clique, protocols::features::StructureID struct_id, utility::sql_database::sessionOP db_session) const |
void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override |
std::string | type_name () const override |
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FeaturesReporter () | |
~FeaturesReporter () override | |
Automatically generated virtual destructor for class deriving directly from VirtualBase. More... | |
virtual std::string | schema () const |
return sql statements that sets up the appropriate tables to contain the features. This should be removed once everything has been moved to the schema generator More... | |
core::Size | report_features (core::pose::Pose const &, StructureID, utility::sql_database::sessionOP) |
collect all the feature data for the pose. More... | |
virtual void | load_into_pose (utility::sql_database::sessionOP, StructureID, core::pose::Pose &) |
virtual void | delete_record (StructureID, utility::sql_database::sessionOP) |
void | set_relevant_residues_mode (RelevantResiduesMode::T setting) |
RelevantResiduesMode::T | get_relevant_residues_mode () const |
bool | check_relevant_residues (utility::vector1< bool > const &relevant_residues, core::Size res1) const |
bool | check_relevant_residues (utility::vector1< bool > const &relevant_residues, core::Size res1, core::Size res2) const |
bool | check_relevant_residues_range (utility::vector1< bool > const &relevant_residues, core::Size res1, core::Size res2) const |
bool | check_relevant_residues (utility::vector1< bool > const &relevant_residues, utility::vector1< core::Size > const &residues) const |
Static Public Member Functions | |
static std::string | class_name () |
static void | provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd) |
Private Attributes | |
core::Size | min_helix_size_ |
core::Size | min_strand_size_ |
core::Size | min_ss_cluster_size_ |
core::Size | max_ss_cluster_size_ |
core::Real | distance_cutoff_ |
core::Real | angle_cutoff_ |
Additional Inherited Members | |
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std::string | find_tag (core::pose::Pose const &pose) const |
void | delete_records_from_table (std::string const &table_name, StructureID struct_id, utility::sql_database::sessionOP db_session) |
a helper function for deleting data associated with a given structure from feature database WARNING table_name must be sanitized! More... | |
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RelevantResiduesMode::T | relevant_residues_mode_ |
protocols::features::ModelFeatures::ModelFeatures | ( | ) |
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static |
Referenced by provide_xml_schema(), type_name(), and protocols::features::ModelFeaturesCreator::type_name().
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overridevirtual |
return the set of features reporters that are required to also already be extracted by the time this one is used.
Reimplemented from protocols::features::FeaturesReporter.
utility::vector1< Segment > protocols::features::ModelFeatures::find_segments | ( | protocols::features::StructureID | struct_id, |
utility::sql_database::sessionOP | db_session | ||
) |
get the vector of beginnings/ends of secondary structure segments
References protocols::features::Segment::begin, protocols::features::Segment::dssp, protocols::simple_filters::dssp(), protocols::features::Segment::end, protocols::features::Segment::id, min_helix_size_, min_strand_size_, and protocols::features::TR().
Referenced by report_features().
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overridevirtual |
Reimplemented from protocols::features::FeaturesReporter.
References angle_cutoff_, distance_cutoff_, max_ss_cluster_size_, min_helix_size_, min_ss_cluster_size_, min_strand_size_, and type_name().
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static |
References class_name(), and protocols::features::xsd_type_definition_w_attributes().
Referenced by protocols::features::ModelFeaturesCreator::provide_xml_schema().
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overridevirtual |
collect all the feature data for the pose
Implements protocols::features::FeaturesReporter.
References angle_cutoff_, core::conformation::Residue::atom(), distance_cutoff_, core::sequence::end, core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), core::scoring::fa_atr, find_segments(), core::pose::metrics::CalculatorFactory::Instance(), protocols::mean_field::max(), max_ss_cluster_size_, core::pose::Pose::metric(), protocols::mean_field::min(), min_helix_size_, min_ss_cluster_size_, min_strand_size_, core::pose::Pose::pdb_info(), core::pose::metrics::CalculatorFactory::register_calculator(), core::pose::metrics::CalculatorFactory::remove_calculator(), core::pose::Pose::residue(), core::pose::Pose::size(), core::id::to_string(), protocols::features::TR(), write_clique_to_db(), and core::conformation::Atom::xyz().
void protocols::features::ModelFeatures::trim_pose | ( | core::pose::Pose & | pose, |
std::set< core::Size > | resnums | ||
) | const |
for testing purposes only
References core::pose::Pose::conformation(), core::conformation::Conformation::delete_residue_slow(), and core::pose::Pose::size().
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overridevirtual |
Reimplemented from protocols::features::FeaturesReporter.
References class_name().
Referenced by parse_my_tag().
void protocols::features::ModelFeatures::write_clique_to_db | ( | std::set< core::Size > const & | clique, |
protocols::features::StructureID | struct_id, | ||
utility::sql_database::sessionOP | db_session | ||
) | const |
Referenced by report_features().
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overridevirtual |
generate the table schemas and write them to the database
Implements protocols::features::FeaturesReporter.
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private |
Referenced by parse_my_tag(), and report_features().
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private |
Referenced by parse_my_tag(), and report_features().
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private |
Referenced by parse_my_tag(), and report_features().
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private |
Referenced by find_segments(), parse_my_tag(), and report_features().
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private |
Referenced by parse_my_tag(), and report_features().
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private |
Referenced by find_segments(), parse_my_tag(), and report_features().