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Rosetta
3.8
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#include <WaterFeatures.hh>
Public Member Functions | |
WaterFeatures () | |
WaterFeatures (core::Real acc_dist_cutoff, core::Real don_dist_cutoff) | |
WaterFeatures (WaterFeatures const &src) | |
~WaterFeatures () override=default | |
core::Real | acc_dist_cutoff () const |
core::Real | don_dist_cutoff () const |
void | acc_dist_cutoff (core::Real d) |
void | don_dist_cutoff (core::Real d) |
void | write_schema_to_db (utility::sql_database::sessionOP db_session) const override |
return string with class name More... | |
void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &) override |
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... | |
core::Size | report_features (core::pose::Pose const &pose, utility::vector1< bool > const &, StructureID struct_id, utility::sql_database::sessionOP db_session) override |
collect all the feature data for the pose More... | |
std::string | type_name () const override |
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FeaturesReporter () | |
~FeaturesReporter () override | |
Automatically generated virtual destructor for class deriving directly from ReferenceCount. More... | |
virtual std::string | schema () const |
return sql statements that sets up the appropriate tables to contain the features. This should be removed once everything has been moved to the schema generator More... | |
core::Size | report_features (core::pose::Pose const &, StructureID, utility::sql_database::sessionOP) |
collect all the feature data for the pose. More... | |
virtual void | load_into_pose (utility::sql_database::sessionOP, StructureID, core::pose::Pose &) |
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 Member Functions | |
void | write_water_hbond_geom_table_schema (utility::sql_database::sessionOP db_session) const |
generate the salt_bridges table schema More... | |
Private Attributes | |
core::Real | acc_dist_cutoff_ |
core::Real | don_dist_cutoff_ |
core::Real | ahd_cutoff_ |
utility::vector1< std::pair < std::string, std::string > > | names_for_water_ |
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::WaterFeatures::WaterFeatures | ( | ) |
protocols::features::WaterFeatures::WaterFeatures | ( | core::Real | acc_dist_cutoff, |
core::Real | don_dist_cutoff | ||
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protocols::features::WaterFeatures::WaterFeatures | ( | WaterFeatures const & | src | ) |
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overridedefault |
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inline |
References acc_dist_cutoff_.
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inline |
References acc_dist_cutoff_.
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static |
Referenced by provide_xml_schema(), protocols::features::WaterFeaturesCreator::type_name(), and type_name().
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inline |
References don_dist_cutoff_.
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inline |
References don_dist_cutoff_.
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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.
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overridevirtual |
Reimplemented from protocols::features::FeaturesReporter.
References acc_dist_cutoff_, ahd_cutoff_, don_dist_cutoff_, names_for_water_, and protocols::features::TR().
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static |
References class_name(), and protocols::features::xsd_type_definition_w_attributes().
Referenced by protocols::features::WaterFeaturesCreator::provide_xml_schema().
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overridevirtual |
collect all the feature data for the pose
Implements protocols::features::FeaturesReporter.
References acc_dist_cutoff_, don_dist_cutoff_, names_for_water_, core::pose::Pose::pdb_info(), and protocols::features::TR().
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overridevirtual |
Reimplemented from protocols::features::FeaturesReporter.
References class_name().
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overridevirtual |
return string with class name
generate the table schemas and write them to the database
Implements protocols::features::FeaturesReporter.
References write_water_hbond_geom_table_schema().
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private |
generate the salt_bridges table schema
Referenced by write_schema_to_db().
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private |
Referenced by acc_dist_cutoff(), parse_my_tag(), and report_features().
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private |
Referenced by parse_my_tag().
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private |
Referenced by don_dist_cutoff(), parse_my_tag(), and report_features().
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private |
Referenced by parse_my_tag(), and report_features().