Rosetta
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#include <ScoreCutoffFilter.hh>
Public Types | |
typedef protocols::filters::Filter | parent |
Public Member Functions | |
ScoreCutoffFilter () | |
c-tor and More... | |
ScoreCutoffFilter (core::Real cutoff_in) | |
filters::FilterOP | clone () const override |
filters::FilterOP | fresh_instance () const override |
void | report (std::ostream &ostr, core::pose::Pose const &pose) const override |
void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override |
Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing. More... | |
bool | apply (core::pose::Pose const &pose) const override |
Returns true if the given pose passes the filter, false otherwise. In this case, the test is the result of the following comparison: sc <= cutoff Where cutoff is the cutoff set for this filter, and sc is the value of the ScoreType from the Pose Energies object. More... | |
void | set_cutoff (core::Real cutoff_in) |
void | set_cutoff (core::pose::Pose const &pose) |
core::Real | cutoff () const |
void | add_score_type (core::scoring::ScoreType scotype) |
void | set_score_type (core::scoring::ScoreType scotype) |
void | set_positions (utility::vector1< core::Size > const &positions) |
void | set_unweighted (bool init) |
core::Real | get_score (core::pose::Pose const &pose) const |
void | output_residue_pair_energies (std::ostream &ostr, core::pose::Pose const &pose) const |
std::string | name () const override |
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Filter () | |
Filter (std::string const &) | |
~Filter () override | |
virtual core::Real | report_sm (core::pose::Pose const &) const |
used to report filter internals through a score or silent file More... | |
virtual std::string | get_type () const |
std::string | get_user_defined_name () const |
void | set_user_defined_name (std::string const &name) |
virtual void | clear () |
used to clear internal variables if needed. Using fresh_instance is preferred since it's a pure virtual More... | |
virtual core::Real | score (core::pose::Pose &pose) |
virtual void | provide_citation_info (basic::citation_manager::CitationCollectionList &) const |
Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More... | |
Static Public Member Functions | |
static std::string | class_name () |
static void | provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd) |
Private Attributes | |
core::Real | cutoff_ |
bool | report_residue_pair_energies_ |
bool | pdb_numbering_ |
utility::vector1< core::scoring::ScoreType > | score_types_ |
utility::vector1< core::Size > | positions_ |
bool | total_score_ |
bool | unweighted_ |
Additional Inherited Members | |
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std::string | scorename_ |
protocols::score_filters::ScoreCutoffFilter::ScoreCutoffFilter | ( | ) |
c-tor and
References positions_, score_types_, and core::scoring::total_score.
protocols::score_filters::ScoreCutoffFilter::ScoreCutoffFilter | ( | core::Real | cutoff_in | ) |
References positions_, score_types_, and core::scoring::total_score.
void protocols::score_filters::ScoreCutoffFilter::add_score_type | ( | core::scoring::ScoreType | scotype | ) |
References score_types_, core::scoring::total_score, total_score_, and tr().
Referenced by set_score_type().
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overridevirtual |
Returns true if the given pose passes the filter, false otherwise. In this case, the test is the result of the following comparison: sc <= cutoff Where cutoff is the cutoff set for this filter, and sc is the value of the ScoreType from the Pose Energies object.
Implements protocols::filters::Filter.
References cutoff(), and get_score().
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static |
Referenced by protocols::score_filters::ScoreCutoffFilterCreator::keyname(), name(), and provide_xml_schema().
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inlineoverridevirtual |
Implements protocols::filters::Filter.
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inline |
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inlineoverridevirtual |
Implements protocols::filters::Filter.
core::Real protocols::score_filters::ScoreCutoffFilter::get_score | ( | core::pose::Pose const & | pose | ) | const |
References core::scoring::EMapVector::dot(), core::pose::Pose::energies(), positions_, core::scoring::Energies::residue_total_energies(), score_types_, core::scoring::EMapVector::sum(), core::scoring::Energies::total_energies(), core::scoring::total_score, total_score_, unweighted_, and core::scoring::Energies::weights().
Referenced by apply(), and set_cutoff().
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overridevirtual |
Reimplemented from protocols::filters::Filter.
References class_name().
void protocols::score_filters::ScoreCutoffFilter::output_residue_pair_energies | ( | std::ostream & | ostr, |
core::pose::Pose const & | pose | ||
) | const |
References protocols::comparative_modeling::features::A, core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), core::chemical::element::F, core::scoring::EnergyGraph::get_energy_node(), core::scoring::Energies::long_range_container(), core::scoring::methods::n_long_range_types, core::scoring::n_score_types, core::scoring::n_shortranged_2b_score_types, core::chemical::ResidueTypeBase::name1(), core::scoring::name_from_score_type(), core::pose::Pose::pdb_info(), pdb_numbering_, core::pose::Pose::residue_type(), protocols::filters::Filter::score(), core::pose::Pose::size(), core::id::to_string(), and core::scoring::Energies::weights().
Referenced by report().
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overridevirtual |
Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing.
Reimplemented from protocols::filters::Filter.
References cutoff_, pdb_numbering_, and report_residue_pair_energies_.
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static |
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overridevirtual |
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inline |
References cutoff_, and get_score().
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inline |
References cutoff_.
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inline |
References positions_.
void protocols::score_filters::ScoreCutoffFilter::set_score_type | ( | core::scoring::ScoreType | scotype | ) |
References add_score_type(), and score_types_.
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inline |
References core::init::init(), and unweighted_.
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private |
Referenced by cutoff(), parse_my_tag(), report(), and set_cutoff().
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private |
Referenced by output_residue_pair_energies(), and parse_my_tag().
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Referenced by get_score(), ScoreCutoffFilter(), and set_positions().
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Referenced by parse_my_tag(), and report().
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Referenced by add_score_type(), get_score(), report(), ScoreCutoffFilter(), and set_score_type().
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private |
Referenced by add_score_type(), and get_score().
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Referenced by get_score(), and set_unweighted().