protocols::rotamer_recovery::RRComparerChiDiff Class Reference

#include <RRComparer.hh>

Inheritance diagram for protocols::rotamer_recovery::RRComparerChiDiff:

Public Member Functions
	RRComparerChiDiff ()
	~RRComparerChiDiff () override
	RRComparerChiDiff (RRComparerChiDiff const &)
void	set_recovery_threshold (core::Real const setting) override
void	set_absolute_threshold (core::Real const setting) override
virtual void	set_max_chi_considered (core::Size const max_chi)
std::string	get_name () const override
std::string	get_parameters () const override
bool	measure_rotamer_recovery (core::pose::Pose const &pose1, core::pose::Pose const &pose2, core::conformation::Residue const &res1, core::conformation::Residue const &res2, core::Real &score, bool &recovered) override
void	parse_attributes_from_tag (utility::tag::TagCOP tag) override
Public Member Functions inherited from protocols::rotamer_recovery::RRComparer
	~RRComparer () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...

Static Public Member Functions
static void	append_attributes (utility::tag::AttributeList &attlist)

Private Attributes
core::Real	tolerance_
core::Real	absolute_threshold_
bool	limit_chi_angles_
core::Size	max_chi_considered_

Constructor & Destructor Documentation

RRComparerChiDiff() [1/2]

protocols::rotamer_recovery::RRComparerChiDiff::RRComparerChiDiff

(

)

~RRComparerChiDiff()

protocols::rotamer_recovery::RRComparerChiDiff::~RRComparerChiDiff ( )

overridedefault

RRComparerChiDiff() [2/2]

protocols::rotamer_recovery::RRComparerChiDiff::RRComparerChiDiff

(

RRComparerChiDiff const &

src

)

Member Function Documentation

append_attributes()

void protocols::rotamer_recovery::RRComparerChiDiff::append_attributes ( utility::tag::AttributeList &  attlist )

static

Referenced by protocols::rotamer_recovery::RRComparerChiDiffCreator::append_attributes().

get_name()

string protocols::rotamer_recovery::RRComparerChiDiff::get_name ( ) const

overridevirtual

Implements protocols::rotamer_recovery::RRComparer.

get_parameters()

string protocols::rotamer_recovery::RRComparerChiDiff::get_parameters ( ) const

overridevirtual

Implements protocols::rotamer_recovery::RRComparer.

measure_rotamer_recovery()

bool protocols::rotamer_recovery::RRComparerChiDiff::measure_rotamer_recovery ( core::pose::Pose const &  pose1, core::pose::Pose const &  pose2, core::conformation::Residue const &  res1, core::conformation::Residue const &  res2, core::Real &  score, bool &  recovered  )

overridevirtual

measure the rotamer recovery by comparing rotamer bins

Returns

true, if the measurement was successful, false otherwise

Implements protocols::rotamer_recovery::RRComparer.

References core::conformation::Residue::aa(), core::conformation::Residue::chi(), core::chemical::ResidueType::chi_2_proton_chi(), limit_chi_angles_, max_chi_considered_, protocols::mean_field::min(), core::chemical::ResidueTypeBase::name(), core::conformation::Residue::name(), core::conformation::Residue::nchi(), core::chemical::num_canonical_aas, protocols::hybridization::score, core::pack::dunbrack::subtract_chi_angles(), tolerance_, protocols::rotamer_recovery::TR(), and core::conformation::Residue::type().

parse_attributes_from_tag()

void protocols::rotamer_recovery::RRComparerChiDiff::parse_attributes_from_tag ( utility::tag::TagCOP  tag )

overridevirtual

Reimplemented from protocols::rotamer_recovery::RRComparer.

References limit_chi_angles_, and max_chi_considered_.

set_absolute_threshold()

void protocols::rotamer_recovery::RRComparerChiDiff::set_absolute_threshold ( core::Real const  setting )

overridevirtual

Implements protocols::rotamer_recovery::RRComparer.

References absolute_threshold_.

set_max_chi_considered()

void protocols::rotamer_recovery::RRComparerChiDiff::set_max_chi_considered ( core::Size const  max_chi )

virtual

References limit_chi_angles_, and max_chi_considered_.

set_recovery_threshold()

void protocols::rotamer_recovery::RRComparerChiDiff::set_recovery_threshold ( core::Real const  setting )

overridevirtual

Implements protocols::rotamer_recovery::RRComparer.

References tolerance_.

Member Data Documentation

absolute_threshold_

core::Real protocols::rotamer_recovery::RRComparerChiDiff::absolute_threshold_

private

Referenced by set_absolute_threshold().

limit_chi_angles_

bool protocols::rotamer_recovery::RRComparerChiDiff::limit_chi_angles_

private

Referenced by measure_rotamer_recovery(), parse_attributes_from_tag(), and set_max_chi_considered().

max_chi_considered_

core::Size protocols::rotamer_recovery::RRComparerChiDiff::max_chi_considered_

private

Referenced by measure_rotamer_recovery(), parse_attributes_from_tag(), and set_max_chi_considered().

tolerance_

core::Real protocols::rotamer_recovery::RRComparerChiDiff::tolerance_

private

Referenced by measure_rotamer_recovery(), and set_recovery_threshold().

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

• src/protocols/rotamer_recovery/RRComparer.hh
• src/protocols/rotamer_recovery/RRComparer.cc