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Rosetta
2020.11
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A metric that outputs the layer of the glycan tree as measured by the residue distance to the root. More...
#include <PerResidueGlycanLayerMetric.hh>
Public Member Functions | |
PerResidueGlycanLayerMetric () | |
Constructors ///. More... | |
PerResidueGlycanLayerMetric (PerResidueGlycanLayerMetric const &src) | |
Copy constructor (not needed unless you need deep copies) More... | |
~PerResidueGlycanLayerMetric () override | |
Destructor (important for properly forward-declaring smart-pointer members) More... | |
std::map< core::Size, core::Real > | calculate (core::pose::Pose const &pose) const override |
Metric Methods ///. More... | |
std::string | name () const override |
Name of the class. More... | |
std::string | metric () const override |
Name of the metric. More... | |
void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override |
called by parse_my_tag – should not be used directly More... | |
core::simple_metrics::SimpleMetricOP | clone () const override |
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PerResidueRealMetric () | |
~PerResidueRealMetric () override | |
PerResidueRealMetric (PerResidueRealMetric const &other) | |
void | apply (pose::Pose &pose, std::string prefix="", std::string suffix="", bool override_existing_data=false) const override |
Calculate the metric and add it to the pose as a score. labeled as prefix+metric+suffix. More... | |
void | set_residue_selector (select::residue_selector::ResidueSelectorCOP selector) |
Set a ResidueSelector for which we will calculate values over. More... | |
void | set_output_as_pdb_nums (bool output_as_pdb_nums) |
Set to output in PDB numbering instead of Rosetta during the Apply function, which adds the data to pose as extra scores. More... | |
std::map< core::Size, core::Real > | cached_calculate (pose::Pose const &pose, bool use_cache, std::string prefix="", std::string suffix="", bool fail_on_missing_cache=true, bool use_ref_pose_for_cache=true) const |
Grab the data from the pose if it exists or calculate the metric. More... | |
utility::vector1< std::string > | get_metric_names () const override |
Get the submetric names that this Metric will calculate. More... | |
select::residue_selector::ResidueSelectorCOP | get_selector () const |
Get the set residue selector of this class. More... | |
virtual void | parse_per_residue_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) |
Parse the base class tag. Keep required interface for parse_my_tag. More... | |
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SimpleMetric (std::string const &simple_metric_type) | |
~SimpleMetric () override | |
SimpleMetric (SimpleMetric const &other) | |
void | set_custom_type (std::string const &custom_type) |
std::string | get_custom_type () const |
Additional setting to prefix/suffix. More... | |
virtual void | parse_base_tag (utility::tag::TagCOP tag) |
Parse the base class tag. Keep required interface for parse_my_tag. More... | |
std::string | simple_metric_type () const |
std::string | get_final_sm_type () const |
Get the final name of this metric including its simple_metric_type_ name and any set custom type. More... | |
virtual bool | simple_metric_provides_citation_info () const |
Does this simple metric provide information about how to cite it? More... | |
virtual utility::vector1 < basic::citation_manager::CitationCollectionCOP > | provide_citation_info () const |
Provide the citation. More... | |
virtual bool | simple_metric_is_unpublished () const |
Does this simple metric indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More... | |
virtual utility::vector1 < basic::citation_manager::UnpublishedModuleInfoCOP > | provide_authorship_info_for_unpublished () const |
Provide a list of authors and their e-mail addresses, as strings. More... | |
Static Public Member Functions | |
static std::string | name_static () |
Name of the class for creator. More... | |
static void | provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd) |
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static void | add_schema (utility::tag::XMLSchemaComplexTypeGeneratorOP complex_schema) |
Add options to the schema from this base class. More... | |
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static utility::tag::XMLSchemaComplexTypeGeneratorOP | complex_type_generator_for_simple_metric (utility::tag::XMLSchemaDefinition &) |
A metric that outputs the layer of the glycan tree as measured by the residue distance to the root.
core::simple_metrics::per_residue_metrics::PerResidueGlycanLayerMetric::PerResidueGlycanLayerMetric | ( | ) |
Constructors ///.
Default constructor
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default |
Copy constructor (not needed unless you need deep copies)
Copy constructor.
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override |
Destructor (important for properly forward-declaring smart-pointer members)
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overridevirtual |
Metric Methods ///.
Defined in RealMetric:
Calculate the metric and add it to the pose as a score. labeled as prefix+metric+suffix.
Score is added through setExtraScorePose and is output into the score tables/file at pose output. Defined in PerResidueRealMetric Calculate the metric. This map is Rosetta Resnum->value and includes only those residues selected.
Return by value as this function can not STORE the result, it only calculates. Store the result in the pose by using the apply method, which calls this method and stores the result in the pose as ExtraScoreValues.
Implements core::simple_metrics::PerResidueRealMetric.
References core::simple_metrics::PerResidueRealMetric::get_selector(), core::pose::Pose::glycan_tree_set(), core::chemical::ResidueType::is_carbohydrate(), core::pose::Pose::residue_type(), and core::pose::Pose::size().
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overridevirtual |
Implements core::simple_metrics::PerResidueRealMetric.
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overridevirtual |
Name of the metric.
Implements core::simple_metrics::PerResidueRealMetric.
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overridevirtual |
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static |
Name of the class for creator.
Referenced by core::simple_metrics::per_residue_metrics::PerResidueGlycanLayerMetricCreator::keyname(), name(), and provide_xml_schema().
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overridevirtual |
called by parse_my_tag – should not be used directly
Implements core::simple_metrics::PerResidueRealMetric.
References core::simple_metrics::SimpleMetric::parse_base_tag(), and core::simple_metrics::PerResidueRealMetric::parse_per_residue_tag().
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