#include <TotalSasaFilter.hh>

Public Member Functions
	TotalSasaFilter ()

	TotalSasaFilter (core::Real const lower_threshold, bool const hydrophobic=false, bool const polar=false, core::Real const upper_threshold=100000000.0, bool report_per_residue_sasa=false)

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

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

core::pack::task::TaskFactoryOP	task_factory ()

void	task_factory (core::pack::task::TaskFactoryOP task_factory)
	Set the task factory to limit SASA calculation to packable residues. More...

filters::FilterOP	clone () const

filters::FilterOP	fresh_instance () const

virtual	~TotalSasaFilter ()

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &, 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	lower_threshold_

core::Real	upper_threshold_

core::pack::task::TaskFactoryOP	taskfactory_

bool	hydrophobic_
	Residue subset definition. Only the surface area from packable residues. More...

bool	polar_

bool	report_per_residue_sasa_
	count only hydrophobics? polars? More...

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

Constructor & Destructor Documentation

protocols::simple_filters::TotalSasaFilter::TotalSasaFilter ( )

Referenced by clone(), and fresh_instance().

protocols::simple_filters::TotalSasaFilter::TotalSasaFilter	(	core::Real const	lower_threshold,
		bool const	hydrophobic = `false`,
		bool const	polar = `false`,
		core::Real const	upper_threshold = `100000000.0`,
		bool	report_per_residue_sasa = `false`
	)

protocols::simple_filters::TotalSasaFilter::~TotalSasaFilter ( )

virtual

Member Function Documentation

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

virtual

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

Implements protocols::filters::Filter.

References compute(), lower_threshold_, sasa, protocols::simple_filters::TR, and upper_threshold_.

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

virtual

Implements protocols::filters::Filter.

References TotalSasaFilter().

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

References core::pack::task::PackerTask::being_packed(), core::pack::task::TaskFactory::create_task_and_apply_taskoperations(), hydrophobic_, core::pose::metrics::CalculatorFactory::Instance(), core::pose::Pose::metric(), core::conformation::Residue::name3(), core::pose::Pose::pdb_info(), polar_, report_per_residue_sasa_, core::pose::Pose::residue(), runtime_assert, sasa, taskfactory_, core::pose::Pose::total_residue(), protocols::simple_filters::TR, and utility_exit_with_message.

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

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

virtual

Implements protocols::filters::Filter.

References TotalSasaFilter().

void protocols::simple_filters::TotalSasaFilter::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	data,
		filters::Filters_map const &	,
		protocols::moves::Movers_map const &	,
		core::pose::Pose const &
	)