#include <ResidueSetChainEnergyFilter.hh>

Inheritance diagram for protocols::simple_filters::ResidueSetChainEnergyFilter:

Collaboration diagram for protocols::simple_filters::ResidueSetChainEnergyFilter:

Public Member Functions
	ResidueSetChainEnergyFilter ()

	ResidueSetChainEnergyFilter (core::scoring::ScoreFunctionCOP scorefxn, core::scoring::ScoreType const score_type, core::Real const score_type_threshold, std::string string_resnums, core::Size chain)

bool	apply (core::pose::Pose const &pose) const
	Returns true if the given pose passes the filter, false otherwise. More...

filters::FilterOP	clone () const

filters::FilterOP	fresh_instance () const

void	report (std::ostream &out, core::pose::Pose const &pose) const

core::Real	report_sm (core::pose::Pose const &pose) const
	used to report filter internals through a score or silent file More...

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

virtual	~ResidueSetChainEnergyFilter ()

void	parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)

Public Member Functions inherited from protocols::filters::Filter
	Filter ()

	Filter (std::string const &)

	Filter (Filter const &)

virtual	~Filter ()

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 void	apply (core::io::serialization::PipeMap &pmap)

virtual void	score (core::io::serialization::PipeMap &pmap)

virtual core::Real	score (core::pose::Pose &pose)

virtual void	parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks)

virtual std::string	name () const

Private Attributes
core::Real	score_type_threshold_

core::scoring::ScoreType	score_type_

core::scoring::ScoreFunctionOP	scorefxn_

std::string	string_resnums_

core::Size	chain_

Additional Inherited Members
Protected Attributes inherited from protocols::filters::Filter
std::string	scorename_

Detailed Description

Definition at line 33 of file ResidueSetChainEnergyFilter.hh.

Constructor & Destructor Documentation

protocols::simple_filters::ResidueSetChainEnergyFilter::ResidueSetChainEnergyFilter ( )

Definition at line 58 of file ResidueSetChainEnergyFilter.cc.

Referenced by clone(), and fresh_instance().

protocols::simple_filters::ResidueSetChainEnergyFilter::ResidueSetChainEnergyFilter	(	core::scoring::ScoreFunctionCOP	scorefxn,
		core::scoring::ScoreType const	score_type,
		core::Real const	score_type_threshold,
		std::string	string_resnums,
		core::Size	chain
	)

Definition at line 63 of file ResidueSetChainEnergyFilter.cc.

References chain_, score_type_, score_type_threshold_, scorefxn_, and string_resnums_.

protocols::simple_filters::ResidueSetChainEnergyFilter::~ResidueSetChainEnergyFilter ( )

virtual

Definition at line 79 of file ResidueSetChainEnergyFilter.cc.

Member Function Documentation

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

virtual

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

Implements protocols::filters::Filter.

Definition at line 101 of file ResidueSetChainEnergyFilter.cc.

References compute(), core::scoring::ScoreTypeManager::name_from_score_type(), protocols::filters::Filter::score(), score_type_, score_type_threshold_, and protocols::simple_filters::TR().

filters::FilterOP protocols::simple_filters::ResidueSetChainEnergyFilter::clone ( ) const

inlinevirtual

Implements protocols::filters::Filter.

Definition at line 46 of file ResidueSetChainEnergyFilter.hh.

References ResidueSetChainEnergyFilter().

Referenced by parse_my_tag().

core::Real protocols::simple_filters::ResidueSetChainEnergyFilter::compute ( core::pose::Pose const & pose) const

Definition at line 125 of file ResidueSetChainEnergyFilter.cc.

References core::chemical::CENTROID, core::pose::Pose::chain(), chain_, core::scoring::EMapVector::dot(), core::graph::Node::edge_list_end(), core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), core::scoring::fa_atr, core::scoring::fa_rep, core::chemical::FA_STANDARD, core::scoring::EnergyEdge::fill_energy_map(), core::graph::Edge::get_first_node_ind(), core::graph::Edge::get_node(), core::pose::get_resnum_list_ordered(), core::graph::Edge::get_second_node_ind(), core::scoring::interchain_vdw, core::pose::Pose::is_centroid(), core::pose::Pose::is_fullatom(), protocols::filters::Filter::score(), score_type_, scorefxn_, string_resnums_, core::util::switch_to_residue_type_set(), core::pose::Pose::total_residue(), core::scoring::total_score, and core::scoring::vdw.

Referenced by apply(), report(), and report_sm().

filters::FilterOP protocols::simple_filters::ResidueSetChainEnergyFilter::fresh_instance ( ) const

inlinevirtual

Implements protocols::filters::Filter.

Definition at line 49 of file ResidueSetChainEnergyFilter.hh.

References ResidueSetChainEnergyFilter().

void protocols::simple_filters::ResidueSetChainEnergyFilter::parse_my_tag	(	utility::tag::TagPtr const	tag,
		protocols::moves::DataMap &	data,
		protocols::filters::Filters_map const &	,
		protocols::moves::Movers_map const &	,
		core::pose::Pose const &
	)