protocols::rotamer_recovery::RRProtocolRTMin Class Reference

#include <RRProtocolRTMin.hh>

Inheritance diagram for protocols::rotamer_recovery::RRProtocolRTMin:

Collaboration diagram for protocols::rotamer_recovery::RRProtocolRTMin:

Public Member Functions
	RRProtocolRTMin ()
	~RRProtocolRTMin ()
	RRProtocolRTMin (RRProtocolRTMin const &)
virtual std::string	get_name () const
virtual std::string	get_parameters () const
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)
Public Member Functions inherited from protocols::rotamer_recovery::RRProtocol
virtual	~RRProtocol ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. 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)

Detailed Description

Definition at line 33 of file RRProtocolRTMin.hh.

Constructor & Destructor Documentation

protocols::rotamer_recovery::RRProtocolRTMin::RRProtocolRTMin

(

)

Definition at line 57 of file RRProtocolRTMin.cc.

protocols::rotamer_recovery::RRProtocolRTMin::~RRProtocolRTMin

(

)

Definition at line 67 of file RRProtocolRTMin.cc.

protocols::rotamer_recovery::RRProtocolRTMin::RRProtocolRTMin

(

RRProtocolRTMin const &

src)

Definition at line 62 of file RRProtocolRTMin.cc.

Member Function Documentation

bool protocols::rotamer_recovery::RRProtocolRTMin::get_cartesian

(

)

const

Definition at line 103 of file RRProtocolRTMin.cc.

References cartesian_.

Referenced by get_parameters().

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

virtual

Implements protocols::rotamer_recovery::RRProtocol.

Definition at line 70 of file RRProtocolRTMin.cc.

bool protocols::rotamer_recovery::RRProtocolRTMin::get_nonideal

(

)

const

Definition at line 91 of file RRProtocolRTMin.cc.

References nonideal_.

Referenced by get_parameters().

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

virtual

Implements protocols::rotamer_recovery::RRProtocol.

Definition at line 75 of file RRProtocolRTMin.cc.

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  )

virtual

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

Implements protocols::rotamer_recovery::RRProtocol.

Definition at line 110 of file RRProtocolRTMin.cc.

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::total_residue().

void protocols::rotamer_recovery::RRProtocolRTMin::set_cartesian

(

bool

setting)

Definition at line 96 of file RRProtocolRTMin.cc.

References cartesian_.

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

void protocols::rotamer_recovery::RRProtocolRTMin::set_nonideal

(

bool

setting)

Definition at line 84 of file RRProtocolRTMin.cc.

References nonideal_.

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

Member Data Documentation

bool protocols::rotamer_recovery::RRProtocolRTMin::cartesian_

private

Definition at line 77 of file RRProtocolRTMin.hh.

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

bool protocols::rotamer_recovery::RRProtocolRTMin::nonideal_

private

Definition at line 76 of file RRProtocolRTMin.hh.

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