returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class More...

#include <HbondsToResidueFilter.hh>

Public Types
typedef core::Real	Real

typedef core::Size	Size

Public Member Functions
	HbondsToResidueFilter ()

	HbondsToResidueFilter (Size const resnum, Size const partners, Real const energy_cutoff=-0.5, bool const backbone=false, bool const sidechain=true)

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

virtual	~HbondsToResidueFilter ()

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

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
Size	resnum_

Size	partners_

Real	energy_cutoff_

bool	backbone_

bool	sidechain_

bool	bb_bb_

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

Detailed Description

returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class

Member Typedef Documentation

typedef core::Real protocols::protein_interface_design::filters::HbondsToResidueFilter::Real

typedef core::Size protocols::protein_interface_design::filters::HbondsToResidueFilter::Size

Constructor & Destructor Documentation

protocols::protein_interface_design::filters::HbondsToResidueFilter::HbondsToResidueFilter ( )

inline

Referenced by clone(), and fresh_instance().

protocols::protein_interface_design::filters::HbondsToResidueFilter::HbondsToResidueFilter	(	Size const	resnum,
		Size const	partners,
		Real const	energy_cutoff = `-0.5`,
		bool const	backbone = `false`,
		bool const	sidechain = `true`
	)

inline

References backbone_, energy_cutoff, energy_cutoff_, partners_, resnum_, runtime_assert, and sidechain_.

protocols::protein_interface_design::filters::HbondsToResidueFilter::~HbondsToResidueFilter ( )

virtual

Member Function Documentation

bool protocols::protein_interface_design::filters::HbondsToResidueFilter::apply ( core::pose::Pose const & pose ) const

virtual

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

Implements protocols::filters::Filter.

References core::scoring::TR.

FilterOP protocols::protein_interface_design::filters::HbondsToResidueFilter::clone ( ) const

inlinevirtual

Implements protocols::filters::Filter.

References HbondsToResidueFilter().

core::Size protocols::protein_interface_design::filters::HbondsToResidueFilter::compute ( core::pose::Pose const & pose ) const

References core::conformation::Conformation::chain_begin(), core::pose::Pose::conformation(), core::scoring::get_score_function(), hbonded(), and core::pose::Pose::total_residue().

FilterOP protocols::protein_interface_design::filters::HbondsToResidueFilter::fresh_instance ( ) const

inlinevirtual

Implements protocols::filters::Filter.

References HbondsToResidueFilter().

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

References core::pose::get_resnum(), and core::scoring::TR.

void protocols::protein_interface_design::filters::HbondsToResidueFilter::report	(	std::ostream &	out,
		core::pose::Pose const &	pose
	)		const

virtual

Reimplemented from protocols::filters::Filter.

core::Real protocols::protein_interface_design::filters::HbondsToResidueFilter::report_sm ( core::pose::Pose const & ) const

virtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

Member Data Documentation

bool protocols::protein_interface_design::filters::HbondsToResidueFilter::backbone_

private

Referenced by HbondsToResidueFilter().

bool protocols::protein_interface_design::filters::HbondsToResidueFilter::bb_bb_

private

Real protocols::protein_interface_design::filters::HbondsToResidueFilter::energy_cutoff_

private

Referenced by HbondsToResidueFilter().

Size protocols::protein_interface_design::filters::HbondsToResidueFilter::partners_

private

Referenced by HbondsToResidueFilter().

Size protocols::protein_interface_design::filters::HbondsToResidueFilter::resnum_

private

Referenced by HbondsToResidueFilter().

bool protocols::protein_interface_design::filters::HbondsToResidueFilter::sidechain_

private

Referenced by HbondsToResidueFilter().

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

src/protocols/protein_interface_design/filters/HbondsToResidueFilter.hh
src/protocols/protein_interface_design/filters/HbondsToResidueFilter.cc
src/protocols/protein_interface_design/parse_filters.cc

Public Types

Public Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation