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Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
protocols::simple_ddg::AlaScan Class Reference

#include <AlaScan.hh>

Inheritance diagram for protocols::simple_ddg::AlaScan:
Inheritance graph
[legend]

Public Member Functions

 AlaScan ()
 
 AlaScan (bool const chain1, bool const chain2, core::Size const repeats, core::Real const dist, core::scoring::ScoreFunctionCOP scorefxn, core::Size const jump, bool const symmetry)
 
bool apply (core::pose::Pose const &) const override
 Returns true if the given pose passes the filter, false otherwise. More...
 
filters::FilterOP clone () const override
 
filters::FilterOP fresh_instance () const override
 
void report (std::ostream &out, core::pose::Pose const &pose) const override
 
void report_symmetry (std::ostream &out, core::pose::Pose const &pose) const
 
core::Real report_sm (core::pose::Pose const &) const override
 used to report filter internals through a score or silent file More...
 
void chain1 (bool const c1)
 
void chain2 (bool const c2)
 
void dist (core::Real const d)
 
void scorefxn (core::scoring::ScoreFunctionOP scorefxn)
 
core::Real ddG_for_single_residue (core::pose::Pose const &pose, core::Size const resi) const
 
bool chain1 () const
 
bool chain2 () const
 
core::Size repeats () const
 
void repeats (core::Size const r)
 
core::Size jump () const
 
void jump (core::Size const j)
 
core::Real dist () const
 
 ~AlaScan () override
 
void repack (bool const repack)
 
bool repack () const
 
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)
 

Private Attributes

bool chain1_
 
bool chain2_
 
core::Size repeats_
 
core::Real distance_threshold_
 
core::Size jump_
 
bool symmetry_
 
core::scoring::ScoreFunctionOP scorefxn_
 
bool repack_
 

Additional Inherited Members

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

Constructor & Destructor Documentation

protocols::simple_ddg::AlaScan::AlaScan ( )
protocols::simple_ddg::AlaScan::AlaScan ( bool const  chain1,
bool const  chain2,
core::Size const  repeats,
core::Real const  dist,
core::scoring::ScoreFunctionCOP  scorefxn,
core::Size const  jump = 1,
bool const  symmetry = false 
)

References scorefxn_.

protocols::simple_ddg::AlaScan::~AlaScan ( )
overridedefault

Member Function Documentation

bool protocols::simple_ddg::AlaScan::apply ( core::pose::Pose const &  pose) const
inlineoverridevirtual

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

Implements protocols::filters::Filter.

void protocols::simple_ddg::AlaScan::chain1 ( bool const  c1)
inline

References chain1_.

bool protocols::simple_ddg::AlaScan::chain1 ( ) const
inline

References chain1_.

void protocols::simple_ddg::AlaScan::chain2 ( bool const  c2)
inline

References chain2_.

bool protocols::simple_ddg::AlaScan::chain2 ( ) const
inline

References chain2_.

std::string protocols::simple_ddg::AlaScan::class_name ( )
static
filters::FilterOP protocols::simple_ddg::AlaScan::clone ( ) const
inlineoverridevirtual
core::Real protocols::simple_ddg::AlaScan::ddG_for_single_residue ( core::pose::Pose const &  pose,
core::Size const  resi 
) const
void protocols::simple_ddg::AlaScan::dist ( core::Real const  d)
inline

References distance_threshold_.

core::Real protocols::simple_ddg::AlaScan::dist ( ) const
inline

References distance_threshold_.

filters::FilterOP protocols::simple_ddg::AlaScan::fresh_instance ( ) const
inlineoverridevirtual
core::Size protocols::simple_ddg::AlaScan::jump ( ) const
inline
void protocols::simple_ddg::AlaScan::jump ( core::Size const  j)
inline

References jump_.

std::string protocols::simple_ddg::AlaScan::name ( ) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::simple_ddg::AlaScan::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 chain1_, chain2_, distance_threshold_, jump_, core::scoring::parse_score_function(), repack(), repack_, repeats_, scorefxn_, and symmetry_.

void protocols::simple_ddg::AlaScan::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::simple_ddg::AlaScan::repack ( bool const  repack)
bool protocols::simple_ddg::AlaScan::repack ( ) const

References repack_.

Referenced by ddG_for_single_residue(), parse_my_tag(), and repack().

core::Size protocols::simple_ddg::AlaScan::repeats ( ) const
inline
void protocols::simple_ddg::AlaScan::repeats ( core::Size const  r)
inline

References repeats_.

void protocols::simple_ddg::AlaScan::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
overridevirtual
core::Real protocols::simple_ddg::AlaScan::report_sm ( core::pose::Pose const &  ) const
inlineoverridevirtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

void protocols::simple_ddg::AlaScan::report_symmetry ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
void protocols::simple_ddg::AlaScan::scorefxn ( core::scoring::ScoreFunctionOP  scorefxn)

Member Data Documentation

bool protocols::simple_ddg::AlaScan::chain1_
private

Referenced by chain1(), parse_my_tag(), and report().

bool protocols::simple_ddg::AlaScan::chain2_
private

Referenced by chain2(), parse_my_tag(), and report().

core::Real protocols::simple_ddg::AlaScan::distance_threshold_
private
core::Size protocols::simple_ddg::AlaScan::jump_
private
bool protocols::simple_ddg::AlaScan::repack_
private

Referenced by parse_my_tag(), and repack().

core::Size protocols::simple_ddg::AlaScan::repeats_
private
core::scoring::ScoreFunctionOP protocols::simple_ddg::AlaScan::scorefxn_
private
bool protocols::simple_ddg::AlaScan::symmetry_
private

Referenced by parse_my_tag(), and report().


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