Returns the sum of energy of input poses. Only accessible through recon application. More...

#include <FitnessFilter.hh>

Inheritance diagram for protocols::recon_design::FitnessFilter:

[legend]

Public Member Functions
	FitnessFilter ()
	empty constructor More...

	~FitnessFilter () override

bool	apply (core::pose::Pose const &pose) const override
	Movers derived from VectorPoseFilter must define two apply methods: apply and apply_mpi, depending on whether the protocol is run in MPI or not Running in MPI will distribute each pose to a separate node, so the mover will operate on one pose. More...

bool	apply_mpi (core::pose::Pose const &pose) const override
	Apply function to run under MPI. More...

void	report (std::ostream &, core::pose::Pose const &) const override
	NOTE: report and report_sm are not implemented for use with the VectorPoseJobDistributor and the recon application. More...

core::Real	report_sm (core::pose::Pose const &) const override
	NOTE: report and report_sm are not implemented for use with the VectorPoseJobDistributor and the recon application. More...

filters::FilterOP	clone () const override

filters::FilterOP	fresh_instance () const 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::Real	calculate_fitness (core::pose::Pose const &) const
	Internal functions to get the fitness over all poses. More...

core::Real	calculate_fitness_mpi (core::pose::Pose const &pose) const

core::Real	threshold () const

void	threshold (core::Real)

core::scoring::ScoreFunctionOP	sfxn () const

void	sfxn (core::scoring::ScoreFunctionOP)

Public Member Functions inherited from protocols::filters::VectorPoseFilter
	VectorPoseFilter ()
	Constructor. More...

	~VectorPoseFilter () override

	VectorPoseFilter (std::string const &name)

	VectorPoseFilter (VectorPoseFilter const &other)

void	set_poses (utility::vector1< core::pose::PoseOP > const &poses)
	Set the vector of poses for the mover to act upon. More...

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 std::string	name () const

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 void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

Private Attributes
core::scoring::ScoreFunctionOP	sfxn_

bool	output_to_scorefile_

core::Real	threshold_

Additional Inherited Members
Protected Attributes inherited from protocols::filters::VectorPoseFilter
utility::vector1< core::pose::PoseOP >	poses_

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

Detailed Description

Returns the sum of energy of input poses. Only accessible through recon application.

Constructor & Destructor Documentation

◆ FitnessFilter()

protocols::recon_design::FitnessFilter::FitnessFilter ( )

empty constructor

Referenced by clone(), and fresh_instance().

◆ ~FitnessFilter()

protocols::recon_design::FitnessFilter::~FitnessFilter ( )

override

Member Function Documentation

◆ apply()

bool protocols::recon_design::FitnessFilter::apply ( core::pose::Pose const & pose ) const

overridevirtual

Movers derived from VectorPoseFilter must define two apply methods: apply and apply_mpi, depending on whether the protocol is run in MPI or not Running in MPI will distribute each pose to a separate node, so the mover will operate on one pose.

Implements protocols::filters::VectorPoseFilter.

References calculate_fitness(), protocols::jd2::JobDistributor::current_job(), protocols::jd2::JobDistributor::get_instance(), output_to_scorefile_, and threshold_.