Rosetta  2020.37
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Static Public Member Functions | Protected Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::simple_filters::HelixHelixAngleFilter Class Reference

#include <HelixHelixAngleFilter.hh>

Inheritance diagram for protocols::simple_filters::HelixHelixAngleFilter:
Inheritance graph
[legend]

Public Member Functions

 HelixHelixAngleFilter ()
 
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
 
core::Real calc_shortest_dist_by_atoms (core::pose::Pose const &pose, core::Size start_helix_1, core::Size end_helix_1, core::Size start_helix_2, core::Size end_helix_2) const
 
std::pair< numeric::xyzVector
< core::Real >
, numeric::xyzVector
< core::Real > > 
find_closest_pnts (utility::vector1< numeric::xyzVector< core::Real >> l1, utility::vector1< numeric::xyzVector< core::Real >> l2) const
 
utility::vector1
< numeric::xyzVector
< core::Real > > 
find_helix_vector (core::pose::Pose const &pose, core::Size start, core::Size end) const
 
filters::FilterOP clone () const override
 
filters::FilterOP fresh_instance () const override
 
 ~HelixHelixAngleFilter () 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
 
- Public Member Functions inherited from protocols::filters::Filter
 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 bool filter_provides_citation_info () const
 Does this filter 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 filter_is_unpublished () const
 Does this filter 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 class_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 

Protected Member Functions

void get_helix_start_stop (core::pose::Pose const &pose, core::Size &start_helix_1, core::Size &end_helix_1, core::Size &start_helix_2, core::Size &end_helix_2) const
 Calculate the extent of helicies for this pose Returns values by reference. More...
 

Private Member Functions

std::pair< core::Size, core::Sizefind_closest_res (core::pose::Pose const &pose, core::Size s1, core::Size e1, core::Size s2, core::Size e2) const
 

Private Attributes

core::Size start_helix_1_ = 0
 
core::Size start_helix_2_ = 0
 
core::Size end_helix_1_ = 0
 
core::Size end_helix_2_ = 0
 
core::Real angle_min_ = 40.0
 
core::Real angle_max_ = 100.0
 
core::Size helix_num_1_ = 1
 
core::Size helix_num_2_ = 2
 
core::Real dist_min_ = 0.0
 
core::Real dist_max_ = 5.0
 
std::string angle_or_dist_ = "angle"
 
bool by_helices_ = false
 
bool dist_by_atom_ = true
 

Additional Inherited Members

- Protected Attributes inherited from protocols::filters::Filter
std::string scorename_
 

Constructor & Destructor Documentation

protocols::simple_filters::HelixHelixAngleFilter::HelixHelixAngleFilter ( )
inline
protocols::simple_filters::HelixHelixAngleFilter::~HelixHelixAngleFilter ( )
override

Member Function Documentation

bool protocols::simple_filters::HelixHelixAngleFilter::apply ( core::pose::Pose const &  pose) const
overridevirtual

Returns true if the given pose passes the filter, false otherwise.

Implements protocols::filters::Filter.

References angle_max_, angle_min_, angle_or_dist_, compute(), dist_max_, and dist_min_.

core::Real protocols::simple_filters::HelixHelixAngleFilter::calc_shortest_dist_by_atoms ( core::pose::Pose const &  pose,
core::Size  start_helix_1,
core::Size  end_helix_1,
core::Size  start_helix_2,
core::Size  end_helix_2 
) const
std::string protocols::simple_filters::HelixHelixAngleFilter::class_name ( )
static

Referenced by name(), and provide_xml_schema().

filters::FilterOP protocols::simple_filters::HelixHelixAngleFilter::clone ( ) const
inlineoverridevirtual
core::Real protocols::simple_filters::HelixHelixAngleFilter::compute ( core::pose::Pose const &  pose) const
std::pair< numeric::xyzVector< core::Real >, numeric::xyzVector< core::Real > > protocols::simple_filters::HelixHelixAngleFilter::find_closest_pnts ( utility::vector1< numeric::xyzVector< core::Real >>  l1,
utility::vector1< numeric::xyzVector< core::Real >>  l2 
) const
std::pair< core::Size, core::Size > protocols::simple_filters::HelixHelixAngleFilter::find_closest_res ( core::pose::Pose const &  pose,
core::Size  s1,
core::Size  e1,
core::Size  s2,
core::Size  e2 
) const
private
utility::vector1< numeric::xyzVector< core::Real > > protocols::simple_filters::HelixHelixAngleFilter::find_helix_vector ( core::pose::Pose const &  pose,
core::Size  start,
core::Size  end 
) const
filters::FilterOP protocols::simple_filters::HelixHelixAngleFilter::fresh_instance ( ) const
inlineoverridevirtual
void protocols::simple_filters::HelixHelixAngleFilter::get_helix_start_stop ( core::pose::Pose const &  pose,
core::Size start_helix_1,
core::Size end_helix_1,
core::Size start_helix_2,
core::Size end_helix_2 
) const
protected
std::string protocols::simple_filters::HelixHelixAngleFilter::name ( ) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::simple_filters::HelixHelixAngleFilter::parse_my_tag ( utility::tag::TagCOP  ,
basic::datacache::DataMap &   
)
overridevirtual

Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing.

Reimplemented from protocols::filters::Filter.

References angle_max_, angle_min_, angle_or_dist_, by_helices_, dist_by_atom_, dist_max_, dist_min_, end_helix_1_, end_helix_2_, helix_num_1_, helix_num_2_, start_helix_1_, and start_helix_2_.

void protocols::simple_filters::HelixHelixAngleFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::simple_filters::HelixHelixAngleFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References angle_or_dist_, and compute().

core::Real protocols::simple_filters::HelixHelixAngleFilter::report_sm ( core::pose::Pose const &  ) const
overridevirtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

References compute().

Member Data Documentation

core::Real protocols::simple_filters::HelixHelixAngleFilter::angle_max_ = 100.0
private

Referenced by apply(), and parse_my_tag().

core::Real protocols::simple_filters::HelixHelixAngleFilter::angle_min_ = 40.0
private

Referenced by apply(), and parse_my_tag().

std::string protocols::simple_filters::HelixHelixAngleFilter::angle_or_dist_ = "angle"
private

Referenced by apply(), compute(), parse_my_tag(), and report().

bool protocols::simple_filters::HelixHelixAngleFilter::by_helices_ = false
private
bool protocols::simple_filters::HelixHelixAngleFilter::dist_by_atom_ = true
private

Referenced by compute(), and parse_my_tag().

core::Real protocols::simple_filters::HelixHelixAngleFilter::dist_max_ = 5.0
private

Referenced by apply(), and parse_my_tag().

core::Real protocols::simple_filters::HelixHelixAngleFilter::dist_min_ = 0.0
private

Referenced by apply(), and parse_my_tag().

core::Size protocols::simple_filters::HelixHelixAngleFilter::end_helix_1_ = 0
private
core::Size protocols::simple_filters::HelixHelixAngleFilter::end_helix_2_ = 0
private
core::Size protocols::simple_filters::HelixHelixAngleFilter::helix_num_1_ = 1
private
core::Size protocols::simple_filters::HelixHelixAngleFilter::helix_num_2_ = 2
private
core::Size protocols::simple_filters::HelixHelixAngleFilter::start_helix_1_ = 0
private
core::Size protocols::simple_filters::HelixHelixAngleFilter::start_helix_2_ = 0
private

The documentation for this class was generated from the following files: