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 <HbondsToAtomFilter.hh>

Public Types
typedef core::Real	Real

typedef core::Size	Size

Public Member Functions
	HbondsToAtomFilter ()

	HbondsToAtomFilter (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	~HbondsToAtomFilter ()

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_

std::string	atomdesg_

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::HbondsToAtomFilter::Real

typedef core::Size protocols::protein_interface_design::filters::HbondsToAtomFilter::Size

Constructor & Destructor Documentation

protocols::protein_interface_design::filters::HbondsToAtomFilter::HbondsToAtomFilter ( )

inline

Referenced by clone(), and fresh_instance().

protocols::protein_interface_design::filters::HbondsToAtomFilter::HbondsToAtomFilter	(	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::HbondsToAtomFilter::~HbondsToAtomFilter ( )

virtual

Member Function Documentation

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::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::HbondsToAtomFilter::clone ( ) const

inlinevirtual

Implements protocols::filters::Filter.

References HbondsToAtomFilter().

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

References core::conformation::Conformation::chain_begin(), core::pose::Pose::conformation(), core::scoring::getScoreFunction(), hbonded_atom(), and core::pose::Pose::total_residue().

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

inlinevirtual

Implements protocols::filters::Filter.

References HbondsToAtomFilter().

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

virtual

Reimplemented from protocols::filters::Filter.

core::Real protocols::protein_interface_design::filters::HbondsToAtomFilter::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

std::string protocols::protein_interface_design::filters::HbondsToAtomFilter::atomdesg_

private

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::backbone_

private

Referenced by HbondsToAtomFilter().

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::bb_bb_

private

Real protocols::protein_interface_design::filters::HbondsToAtomFilter::energy_cutoff_

private

Referenced by HbondsToAtomFilter().

Size protocols::protein_interface_design::filters::HbondsToAtomFilter::partners_

private

Referenced by HbondsToAtomFilter().

Size protocols::protein_interface_design::filters::HbondsToAtomFilter::resnum_

private

Referenced by HbondsToAtomFilter().

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::sidechain_

private

Referenced by HbondsToAtomFilter().

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

symlinks/rosetta/src/protocols/protein_interface_design/filters/HbondsToAtomFilter.hh
symlinks/rosetta/src/protocols/protein_interface_design/filters/HbondsToAtomFilter.cc
symlinks/rosetta/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