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protocols::calc_taskop_filters::MultipleSigmoids Class Reference

simply takes a list of pdbs and creates relative pose then extract sigmoids and call operator (product) More...

#include <MultipleSigmoidsFilter.hh>

Inheritance diagram for protocols::calc_taskop_filters::MultipleSigmoids:
Inheritance graph
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Public Member Functions

 MultipleSigmoids ()
 
 ~MultipleSigmoids () override
 
filters::FilterOP clone () const override
 
filters::FilterOP fresh_instance () const override
 
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...
 
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::Real compute (core::pose::Pose const &pose) const
 
core::Real threshold () const
 
void threshold (core::Real const t)
 
OperatorOP operator_filter () const
 
void operator_filter (OperatorOP opt)
 
SigmoidOP sigmoid_filter () const
 
RelativePoseFilterOP relative_pose_filter () const
 
void relative_pose_filter (RelativePoseFilterOP rpose)
 
void reset_baseline (core::pose::Pose const &pose, bool const attempt_read_from_checkpoint)
 
std::string name () const override
 allows within-trajectory resetting of the baseline. Notice this is nonconst, so can't be called from apply. attempt_read_from_checkpoint should be true for MC trials > 1, but false otherwise More...
 
- 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

std::string file_names_
 
core::Real threshold_
 
RelativePoseFilterOP r_pose_
 
SigmoidOP sig_
 
OperatorOP operatorF_
 

Additional Inherited Members

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

Detailed Description

simply takes a list of pdbs and creates relative pose then extract sigmoids and call operator (product)

Constructor & Destructor Documentation

protocols::calc_taskop_filters::MultipleSigmoids::MultipleSigmoids ( )
protocols::calc_taskop_filters::MultipleSigmoids::~MultipleSigmoids ( )
overridedefault

Member Function Documentation

bool protocols::calc_taskop_filters::MultipleSigmoids::apply ( core::pose::Pose const &  pose) const
overridevirtual

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

Implements protocols::filters::Filter.

References compute(), threshold(), and protocols::hybridization::val.

std::string protocols::calc_taskop_filters::MultipleSigmoids::class_name ( )
static
protocols::filters::FilterOP protocols::calc_taskop_filters::MultipleSigmoids::clone ( ) const
overridevirtual
core::Real protocols::calc_taskop_filters::MultipleSigmoids::compute ( core::pose::Pose const &  pose) const
protocols::filters::FilterOP protocols::calc_taskop_filters::MultipleSigmoids::fresh_instance ( ) const
overridevirtual
std::string protocols::calc_taskop_filters::MultipleSigmoids::name ( ) const
overridevirtual

allows within-trajectory resetting of the baseline. Notice this is nonconst, so can't be called from apply. attempt_read_from_checkpoint should be true for MC trials > 1, but false otherwise

Reimplemented from protocols::filters::Filter.

References class_name().

OperatorOP protocols::calc_taskop_filters::MultipleSigmoids::operator_filter ( ) const

References operatorF_.

void protocols::calc_taskop_filters::MultipleSigmoids::operator_filter ( OperatorOP  opt)

References operatorF_.

void protocols::calc_taskop_filters::MultipleSigmoids::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 operatorF_, r_pose_, sig_, threshold(), and protocols::calc_taskop_filters::TR().

void protocols::calc_taskop_filters::MultipleSigmoids::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
RelativePoseFilterOP protocols::calc_taskop_filters::MultipleSigmoids::relative_pose_filter ( ) const

References r_pose_.

void protocols::calc_taskop_filters::MultipleSigmoids::relative_pose_filter ( RelativePoseFilterOP  rpose)

References r_pose_.

void protocols::calc_taskop_filters::MultipleSigmoids::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
overridevirtual
core::Real protocols::calc_taskop_filters::MultipleSigmoids::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(), and operatorF_.

void protocols::calc_taskop_filters::MultipleSigmoids::reset_baseline ( core::pose::Pose const &  pose,
bool const  attempt_read_from_checkpoint 
)
SigmoidOP protocols::calc_taskop_filters::MultipleSigmoids::sigmoid_filter ( ) const

References sig_.

core::Real protocols::calc_taskop_filters::MultipleSigmoids::threshold ( ) const
inline

References threshold_.

Referenced by apply(), and parse_my_tag().

void protocols::calc_taskop_filters::MultipleSigmoids::threshold ( core::Real const  t)
inline

Member Data Documentation

std::string protocols::calc_taskop_filters::MultipleSigmoids::file_names_
private
OperatorOP protocols::calc_taskop_filters::MultipleSigmoids::operatorF_
private
RelativePoseFilterOP protocols::calc_taskop_filters::MultipleSigmoids::r_pose_
private
SigmoidOP protocols::calc_taskop_filters::MultipleSigmoids::sig_
private

Referenced by parse_my_tag(), and sigmoid_filter().

core::Real protocols::calc_taskop_filters::MultipleSigmoids::threshold_
private

Referenced by threshold().


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