#include <EnzFilters.hh>

Public Types
typedef protocols::filters::Filter	Filter

typedef protocols::filters::FilterOP	FilterOP

typedef protocols::filters::Filters_map	Filters_map

Public Member Functions
	RepackWithoutLigandFilter ()

	RepackWithoutLigandFilter (core::scoring::ScoreFunctionOP scorefxn, core::Real rms_thresh, core::Real energy_thresh, utility::vector1< core::Size > rms_target_res)

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

FilterOP	clone () const

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	~RepackWithoutLigandFilter ()

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

void	set_scorefxn (core::scoring::ScoreFunctionOP scorefxn)

void	set_cstid_list (std::string setting)

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

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

Member Typedef Documentation

typedef protocols::filters::Filter protocols::enzdes::RepackWithoutLigandFilter::Filter

typedef protocols::filters::FilterOP protocols::enzdes::RepackWithoutLigandFilter::FilterOP

typedef protocols::filters::Filters_map protocols::enzdes::RepackWithoutLigandFilter::Filters_map

Constructor & Destructor Documentation

protocols::enzdes::RepackWithoutLigandFilter::RepackWithoutLigandFilter ( )

inline

Referenced by clone(), and fresh_instance().

protocols::enzdes::RepackWithoutLigandFilter::RepackWithoutLigandFilter	(	core::scoring::ScoreFunctionOP	scorefxn,
		core::Real	rms_thresh,
		core::Real	energy_thresh,
		utility::vector1< core::Size >	rms_target_res
	)

protocols::enzdes::RepackWithoutLigandFilter::~RepackWithoutLigandFilter ( )

virtual

Member Function Documentation

bool protocols::enzdes::RepackWithoutLigandFilter::apply ( core::pose::Pose const & pose ) const

virtual

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

Implements protocols::filters::Filter.

References calc_dE_, calc_rms_, compute(), energy_threshold_, and rms_threshold_.

FilterOP protocols::enzdes::RepackWithoutLigandFilter::clone ( ) const

inlinevirtual

Implements protocols::filters::Filter.

References RepackWithoutLigandFilter().

core::Real protocols::enzdes::RepackWithoutLigandFilter::compute ( core::pose::Pose const & pose ) const

References protocols::enzdes::RepackLigandSiteWithoutLigandMover::apply(), calc_dE_, calc_rms_, cstid_list_, protocols::enzdes::enzutil::disable_constraint_scoreterms(), core::pose::Pose::energies(), protocols::enzdes::RepackLigandSiteWithoutLigandMover::get_ptask(), protocols::enzdes::enzutil::get_resnum_from_cstid_list(), core::chemical::ResidueType::is_ligand(), core::conformation::Residue::is_protein(), core::scoring::is_protein_sidechain_heavyatom(), protocols::enzdes::enzutil::remove_all_enzdes_constraints(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), rms_all_rpked_, rmsd, core::scoring::rmsd_no_super_subset(), runtime_assert, scorefxn_, protocols::enzdes::RepackLigandSiteWithoutLigandMover::set_separate_prt_ligand(), target_res_, core::scoring::Energies::total_energies(), core::pose::Pose::total_residue(), total_score, protocols::enzdes::TR, use_cstids_, and utility_exit_with_message.

Referenced by apply(), and report_sm().

FilterOP protocols::enzdes::RepackWithoutLigandFilter::fresh_instance ( ) const

inlinevirtual

Implements protocols::filters::Filter.

References RepackWithoutLigandFilter().

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

virtual

Reimplemented from protocols::filters::Filter.

References calc_dE_, calc_rms_, core::scoring::ScoreFunction::clone(), cstid_list_, energy_threshold_, core::pose::get_resnum_list(), protocols::rosetta_scripts::parse_score_function(), rms_all_rpked_, rms_threshold_, runtime_assert, scorefxn_, target_res, target_res_, protocols::enzdes::TR, and use_cstids_.

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

virtual

Reimplemented from protocols::filters::Filter.

References core::pose::Pose::total_residue().

core::Real protocols::enzdes::RepackWithoutLigandFilter::report_sm ( core::pose::Pose const & ) const

virtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

References compute().

void protocols::enzdes::RepackWithoutLigandFilter::set_cstid_list ( std::string setting )

inline

References cstid_list_.

void protocols::enzdes::RepackWithoutLigandFilter::set_scorefxn ( core::scoring::ScoreFunctionOP scorefxn )

inline

References scorefxn_.

Member Data Documentation

bool protocols::enzdes::RepackWithoutLigandFilter::calc_dE_

private

Referenced by apply(), compute(), and parse_my_tag().

bool protocols::enzdes::RepackWithoutLigandFilter::calc_rms_

private

Referenced by apply(), compute(), and parse_my_tag().

std::string protocols::enzdes::RepackWithoutLigandFilter::cstid_list_

private

Referenced by compute(), parse_my_tag(), and set_cstid_list().

core::Real protocols::enzdes::RepackWithoutLigandFilter::energy_threshold_

private

Referenced by apply(), and parse_my_tag().

bool protocols::enzdes::RepackWithoutLigandFilter::rms_all_rpked_

private

Referenced by compute(), and parse_my_tag().

core::Real protocols::enzdes::RepackWithoutLigandFilter::rms_threshold_

private

Referenced by apply(), and parse_my_tag().

core::scoring::ScoreFunctionOP protocols::enzdes::RepackWithoutLigandFilter::scorefxn_

private

Referenced by compute(), parse_my_tag(), and set_scorefxn().

utility::vector1< core::Size > protocols::enzdes::RepackWithoutLigandFilter::target_res_

private

Referenced by compute(), and parse_my_tag().

bool protocols::enzdes::RepackWithoutLigandFilter::use_cstids_

private

Referenced by compute(), and parse_my_tag().

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

symlinks/rosetta/src/protocols/enzdes/EnzFilters.hh
symlinks/rosetta/src/protocols/enzdes/EnzFilters.cc

Private Attributes
core::scoring::ScoreFunctionOP	scorefxn_

core::Real	rms_threshold_

core::Real	energy_threshold_

bool	calc_dE_

bool	calc_rms_

bool	use_cstids_

bool	rms_all_rpked_

std::string	cstid_list_

utility::vector1< core::Size >	target_res_

Public Types

Public Member Functions

Private Attributes

Additional Inherited Members

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation