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Rosetta
2020.50
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#include <SidechainRmsdFilter.hh>
Public Member Functions | |
SidechainRmsdFilter () | |
SidechainRmsdFilter (std::string const &res1, std::string const &res2, core::Real const rmsd_threshold) | |
bool | apply (core::pose::Pose const &pose) const override |
Returns true if the given pose passes the filter, false otherwise. More... | |
void | report (std::ostream &out, core::pose::Pose const &pose) const override |
core::Real | report_sm (core::pose::Pose const &pose) const override |
used to report filter internals through a score or silent file More... | |
core::Real | compute (core::pose::Pose const &pose) const |
filters::FilterOP | clone () const override |
filters::FilterOP | fresh_instance () const override |
~SidechainRmsdFilter () 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... | |
std::string | name () const override |
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Filter () | |
Filter (std::string const &) | |
Filter (Filter const &) | |
~Filter () override | |
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 | |
std::string | res1_ |
std::string | res2_ |
core::Real | rmsd_threshold_ |
core::pose::PoseCOP | reference_pose_ |
bool | include_backbone_ |
Additional Inherited Members | |
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std::string | scorename_ |
protocols::simple_filters::SidechainRmsdFilter::SidechainRmsdFilter | ( | ) |
protocols::simple_filters::SidechainRmsdFilter::SidechainRmsdFilter | ( | std::string const & | res1, |
std::string const & | res2, | ||
core::Real const | rmsd_threshold | ||
) |
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overridedefault |
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overridevirtual |
Returns true if the given pose passes the filter, false otherwise.
Implements protocols::filters::Filter.
References compute(), res1_, rmsd_threshold_, and protocols::simple_filters::sidechain_rmsd_filter_tracer().
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static |
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overridevirtual |
Implements protocols::filters::Filter.
core::Real protocols::simple_filters::SidechainRmsdFilter::compute | ( | core::pose::Pose const & | pose | ) | const |
References core::scoring::automorphic_rmsd(), core::pose::Pose::conformation(), core::conformation::copy_residue_coordinates_and_rebuild_missing_atoms(), core::conformation::ResidueFactory::create_residue(), include_backbone_, core::pose::parse_resnum(), reference_pose_, res1_, res2_, core::conformation::Conformation::residue(), core::pose::Pose::residue_type_set_for_pose(), and core::chemical::VIRTUAL_BB.
Referenced by apply(), report(), and report_sm().
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overridevirtual |
Implements protocols::filters::Filter.
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overridevirtual |
Reimplemented from protocols::filters::Filter.
References class_name().
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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 class_name(), core::pose::get_resnum_string(), include_backbone_, protocols::rosetta_scripts::legacy_saved_pose_or_input(), reference_pose_, res1_, res2_, and rmsd_threshold_.
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static |
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overridevirtual |
Reimplemented from protocols::filters::Filter.
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overridevirtual |
used to report filter internals through a score or silent file
Reimplemented from protocols::filters::Filter.
References compute().
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private |
Referenced by compute(), and parse_my_tag().
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private |
Referenced by compute(), and parse_my_tag().
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private |
Referenced by apply(), compute(), parse_my_tag(), and report().
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private |
Referenced by compute(), and parse_my_tag().
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private |
Referenced by apply(), and parse_my_tag().