protocols::rotamer_recovery::RRProtocolRTMin Class Reference

#include <RRProtocolRTMin.hh>

Inheritance diagram for protocols::rotamer_recovery::RRProtocolRTMin:

Public Member Functions
	RRProtocolRTMin ()
	~RRProtocolRTMin () override
	RRProtocolRTMin (RRProtocolRTMin const &)
std::string	get_name () const override
std::string	get_parameters () const override
void	set_nonideal (bool setting)
bool	get_nonideal () const
void	set_cartesian (bool setting)
bool	get_cartesian () const
void	run (RRComparerOP comparer, RRReporterOP reporter, core::pose::Pose const &pose, core::scoring::ScoreFunction const &score_function, core::pack::task::PackerTask const &packer_task) override
Public Member Functions inherited from protocols::rotamer_recovery::RRProtocol
	~RRProtocol () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
virtual void	parse_attributes_from_tag (basic::datacache::DataMap const &dm, utility::tag::TagCOP tag)
	As the RRProtocol is being read in. More...

Private Attributes
bool	nonideal_
bool	cartesian_

Additional Inherited Members
Protected Member Functions inherited from protocols::rotamer_recovery::RRProtocol
bool	measure_rotamer_recovery (RRComparerOP comparer, RRReporterOP reporter, core::pose::Pose const &pose1, core::pose::Pose const &pose2, core::conformation::Residue const &res1, core::conformation::Residue const &res2)

Constructor & Destructor Documentation

protocols::rotamer_recovery::RRProtocolRTMin::RRProtocolRTMin

(

)

protocols::rotamer_recovery::RRProtocolRTMin::~RRProtocolRTMin ( )

overridedefault

protocols::rotamer_recovery::RRProtocolRTMin::RRProtocolRTMin ( RRProtocolRTMin const &  )

default

Member Function Documentation

bool protocols::rotamer_recovery::RRProtocolRTMin::get_cartesian

(

)

const

References cartesian_.

Referenced by get_parameters().

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

overridevirtual

Implements protocols::rotamer_recovery::RRProtocol.

bool protocols::rotamer_recovery::RRProtocolRTMin::get_nonideal

(

)

const

References nonideal_.

Referenced by get_parameters().

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

overridevirtual

Implements protocols::rotamer_recovery::RRProtocol.

References get_cartesian(), and get_nonideal().

void protocols::rotamer_recovery::RRProtocolRTMin::run ( RRComparerOP  comparer, RRReporterOP  reporter, core::pose::Pose const &  pose, core::scoring::ScoreFunction const &  score_function, core::pack::task::PackerTask const &  packer_task  )

overridevirtual

For each residue, minimize it, and measure the rotamer compared to where it started

Implements protocols::rotamer_recovery::RRProtocol.

References core::chemical::aa_unk, cartesian_, core::pack::task::PackerTask::clone(), core::pack::create_packer_graph(), core::pack::rotamer_set::RotamerSetFactory::create_rotamer_set(), core::pack::task::PackerTask::include_current(), protocols::rotamer_recovery::RRProtocol::measure_rotamer_recovery(), nonideal_, core::pack::task::PackerTask::pack_residue(), core::pose::Pose::replace_residue(), core::pose::Pose::residue(), core::pack::RTMin::rtmin(), core::pack::RTMin::set_cartesian(), core::pack::RTMin::set_nonideal(), and core::pose::Pose::size().

void protocols::rotamer_recovery::RRProtocolRTMin::set_cartesian

(

bool

setting

)

References cartesian_.

Referenced by protocols::features::RotamerRecoveryFeatures::parse_my_tag().

void protocols::rotamer_recovery::RRProtocolRTMin::set_nonideal

(

bool

setting

)

References nonideal_.

Referenced by protocols::features::RotamerRecoveryFeatures::parse_my_tag().

Member Data Documentation

bool protocols::rotamer_recovery::RRProtocolRTMin::cartesian_

private

Referenced by get_cartesian(), run(), and set_cartesian().

bool protocols::rotamer_recovery::RRProtocolRTMin::nonideal_

private

Referenced by get_nonideal(), run(), and set_nonideal().

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

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