#include <BindingStrainFilter.hh>
Public Member Functions | |
| BindingStrainFilter () | |
| default ctor More... | |
| bool | apply (core::pose::Pose const &pose) const override |
| Constructor with a single target residue. 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... | |
| protocols::filters::FilterOP | clone () const override |
| protocols::filters::FilterOP | fresh_instance () const override |
| core::Real | compute (core::pose::Pose const &pose) const |
| ~BindingStrainFilter () 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... | |
| core::Size | jump () const |
| void | jump (core::Size const j) |
| protocols::moves::MoverOP | relax_mover () const |
| void | relax_mover (protocols::moves::MoverOP const mover) |
| core::scoring::ScoreFunctionOP | scorefxn () const |
| void | scorefxn (core::scoring::ScoreFunctionOP scorefxn) |
| core::pack::task::TaskFactoryOP | task_factory () const |
| void | task_factory (core::pack::task::TaskFactoryOP task) |
| core::Real | threshold () const |
| void | threshold (core::Real const t) |
| std::string | name () const override |
 Public Member Functions inherited from protocols::filters::Filter | |
| Filter () | |
| Filter (std::string 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 Types | |
| typedef protocols::filters::Filter | parent |
Private Member Functions | |
| void | unbind (core::pose::Pose &) const |
Private Attributes | |
| core::pack::task::TaskFactoryOP | task_factory_ |
| core::scoring::ScoreFunctionOP | scorefxn_ |
| protocols::moves::MoverOP | relax_mover_ |
| core::Size | jump_ |
| core::Real | threshold_ |
Additional Inherited Members | |
| Protected Attributes inherited from protocols::filters::Filter | |
| std::string | scorename_ |
Member Typedef Documentation
◆ parent
|
private |
Constructor & Destructor Documentation
◆ BindingStrainFilter()
| protocols::protein_interface_design::filters::BindingStrainFilter::BindingStrainFilter | ( | ) |
default ctor
◆ ~BindingStrainFilter()
|
overridedefault |
Member Function Documentation
◆ apply()
|
overridevirtual |
Constructor with a single target residue.
Implements protocols::filters::Filter.
References compute(), and threshold().
◆ class_name()
|
static |
◆ clone()
|
overridevirtual |
Implements protocols::filters::Filter.
◆ compute()
| core::Real protocols::protein_interface_design::filters::BindingStrainFilter::compute | ( | core::pose::Pose const & | pose | ) | const |
References protocols::score_filters::ScoreTypeFilter::compute(), scorefxn(), task_factory(), core::scoring::total_score, and unbind().
Referenced by apply(), report(), and report_sm().
◆ fresh_instance()
|
overridevirtual |
Implements protocols::filters::Filter.
◆ jump() [1/2]
| core::Size protocols::protein_interface_design::filters::BindingStrainFilter::jump | ( | ) | const |
References jump_.
Referenced by parse_my_tag(), and unbind().
◆ jump() [2/2]
| void protocols::protein_interface_design::filters::BindingStrainFilter::jump | ( | core::Size const | j | ) |
References jump_.
◆ name()
|
overridevirtual |
Reimplemented from protocols::filters::Filter.
References class_name().
◆ parse_my_tag()
|
overridevirtual |
Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing.
Reimplemented from protocols::filters::Filter.
References jump(), protocols::rosetta_scripts::parse_mover(), core::scoring::parse_score_function(), core::pack::task::parse_task_operations(), relax_mover(), scorefxn(), task_factory(), threshold(), and protocols::protein_interface_design::filters::TR().
◆ provide_xml_schema()
|
static |
References core::scoring::attributes_for_parse_score_function(), core::pack::task::attributes_for_parse_task_operations(), class_name(), and protocols::filters::xsd_type_definition_w_attributes().
Referenced by protocols::protein_interface_design::filters::BindingStrainFilterCreator::provide_xml_schema().
◆ relax_mover() [1/2]
| protocols::moves::MoverOP protocols::protein_interface_design::filters::BindingStrainFilter::relax_mover | ( | ) | const |
References relax_mover_.
Referenced by parse_my_tag().
◆ relax_mover() [2/2]
| void protocols::protein_interface_design::filters::BindingStrainFilter::relax_mover | ( | protocols::moves::MoverOP const | mover | ) |
References relax_mover_.
◆ report()
|
overridevirtual |
Reimplemented from protocols::filters::Filter.
References compute(), and core::conformation::membrane::out.
◆ report_sm()
|
overridevirtual |
used to report filter internals through a score or silent file
Reimplemented from protocols::filters::Filter.
References compute().
◆ scorefxn() [1/2]
| core::scoring::ScoreFunctionOP protocols::protein_interface_design::filters::BindingStrainFilter::scorefxn | ( | ) | const |
References scorefxn_.
Referenced by compute(), parse_my_tag(), and scorefxn().
◆ scorefxn() [2/2]
| void protocols::protein_interface_design::filters::BindingStrainFilter::scorefxn | ( | core::scoring::ScoreFunctionOP | scorefxn | ) |
References scorefxn(), and scorefxn_.
◆ task_factory() [1/2]
| core::pack::task::TaskFactoryOP protocols::protein_interface_design::filters::BindingStrainFilter::task_factory | ( | ) | const |
References task_factory_.
Referenced by compute(), and parse_my_tag().
◆ task_factory() [2/2]
| void protocols::protein_interface_design::filters::BindingStrainFilter::task_factory | ( | core::pack::task::TaskFactoryOP | task | ) |
References task_factory_.
◆ threshold() [1/2]
| core::Real protocols::protein_interface_design::filters::BindingStrainFilter::threshold | ( | ) | const |
References threshold_.
Referenced by apply(), and parse_my_tag().
◆ threshold() [2/2]
| void protocols::protein_interface_design::filters::BindingStrainFilter::threshold | ( | core::Real const | t | ) |
References protocols::hybridization::t, and threshold_.
◆ unbind()
|
private |
References protocols::rigid::RigidBodyTransMover::apply(), core::pose::Pose::conformation(), core::conformation::Conformation::is_membrane(), jump(), protocols::rigid::RigidBodyTransMover::step_size(), protocols::protein_interface_design::filters::TR(), and protocols::rigid::RigidBodyTransMover::trans_axis().
Referenced by compute().
Member Data Documentation
◆ jump_
|
private |
Referenced by jump().
◆ relax_mover_
|
private |
Referenced by relax_mover().
◆ scorefxn_
|
private |
Referenced by scorefxn().
◆ task_factory_
|
private |
Referenced by task_factory().
◆ threshold_
|
private |
Referenced by threshold().
The documentation for this class was generated from the following files:
- src/protocols/protein_interface_design/filters/BindingStrainFilter.hh
- src/protocols/protein_interface_design/filters/BindingStrainFilter.cc
