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protocols::antibody::CDRsMinPackMin Class Reference

#include <CDRsMinPackMin.hh>

Inheritance diagram for protocols::antibody::CDRsMinPackMin:
Inheritance graph
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Public Member Functions

 CDRsMinPackMin ()
 
 CDRsMinPackMin (AntibodyInfoOP antibody_info)
 
 CDRsMinPackMin (AntibodyInfoOP antibody_info, core::scoring::ScoreFunctionOP scorefxn, core::pack::task::TaskFactoryOP tf, core::kinematics::MoveMapOP movemap)
 
 ~CDRsMinPackMin () override
 
void apply (core::pose::Pose &pose) override
 Main Method. More...
 
std::string get_name () const override
 Each derived class must specify its name. The class name. More...
 
void set_task_factory (core::pack::task::TaskFactoryCOP tf)
 
void set_move_map (core::kinematics::MoveMapCOP movemap)
 
void set_sc_min (bool scmin)
 
void set_rt_min (bool rtmin)
 
void set_turnoff_minimization (bool setting)
 
void set_alter_foldtree (bool setting)
 
void show (std::ostream &out=std::cout) const override
 
- Public Member Functions inherited from protocols::moves::Mover
 Mover ()
 
virtual MoverOP create ()
 
MoverCOP get_self_ptr () const
 
MoverOP get_self_ptr ()
 
MoverCAP get_self_weak_ptr () const
 
MoverAP get_self_weak_ptr ()
 
 Mover (std::string const &type_name)
 sets the type for a mover; name_ has been removed (2010/05/14) More...
 
virtual void test_move (Pose &pose)
 : Unit test support function. Apply one move to a given pose. Allows extra test specific functions to be called before applying More...
 
virtual MoverOP clone () const
 Return a clone of the Mover object. More...
 
virtual bool reinitialize_for_each_job () const
 Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on each use. More...
 
virtual bool reinitialize_for_new_input () const
 Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose). More...
 
virtual MoverOP fresh_instance () const
 Generates a new Mover object freshly created with the default ctor. More...
 
MoverStatus get_last_move_status () const
 end parser interface, start Job Distributor interface///////////// More...
 
void reset_status ()
 resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s. More...
 
virtual core::pose::PoseOP get_additional_output ()
 Mechanism by which a mover may return multiple output poses from a single input pose. More...
 
void set_type (std::string const &setting)
 Set the 'type' string. More...
 
std::string get_type () const
 
void type (const std::string &type_in)
 Set the 'type' string. More...
 
std::string const & type () const
 Get the set 'type' string. More...
 
virtual void set_input_pose (PoseCOP pose)
 setter for poses contained for rms More...
 
virtual void set_native_pose (PoseCOP pose)
 setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More...
 
PoseCOP get_input_pose () const
 
PoseCOP get_native_pose () const
 
virtual void parse_my_tag (TagCOP tag, basic::datacache::DataMap &data)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...
 
void set_current_job (protocols::jobdist::BasicJobCOP job)
 
jobdist::BasicJobCOP get_current_job () const
 
virtual void set_current_tag (std::string const &new_tag)
 
std::string get_current_tag () const
 A tag is a unique identifier used to identify structures produced by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor. More...
 
virtual core::Real last_proposal_density_ratio ()
 
virtual void clear_info ()
 Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file. More...
 
virtual Stringsinfo ()
 non-const accessor More...
 
virtual Strings const & info () const
 const accessor More...
 
virtual void provide_citation_info (basic::citation_manager::CitationCollectionList &) const
 Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...
 

Private Member Functions

void finalize_setup (core::pose::Pose &pose)
 
void init ()
 

Private Attributes

bool sc_min_
 
bool rt_min_
 
bool turnoff_minimization_
 
bool alter_foldtree_
 
bool benchmark_
 
core::Size update_rounds_
 
bool user_defined_
 
AntibodyInfoOP ab_info_
 
core::scoring::ScoreFunctionOP loop_scorefxn_highres_
 
protocols::moves::SequenceMoverOP cdr_sequence_move_
 
core::kinematics::MoveMapOP allcdr_map_
 
core::pack::task::TaskFactoryOP tf_
 
std::string min_type_
 
core::Real Temperature_
 
core::Real min_tolerance_
 

Friends

std::ostream & operator<< (std::ostream &out, const CDRsMinPackMin &ab_m_2)
 

Additional Inherited Members

- Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagCOP TagCOP
 
typedef core::pose::Pose Pose
 
typedef core::pose::PoseCOP PoseCOP
 
typedef std::list< std::string > Strings
 
- Static Public Member Functions inherited from protocols::moves::Mover
static std::string name ()
 
static void register_options ()
 Overload this static method if you access options within the mover. More...
 
- Protected Member Functions inherited from protocols::moves::Mover
void set_last_move_status (MoverStatus status)
 nonvirtual setter for MoverStatus last_status_. Protected means that only the mover itself will be able to change its own status. The job distributor (august 08 vintage) is aware of status set with this function and will do what the MoverStatus says. More...
 

Constructor & Destructor Documentation

protocols::antibody::CDRsMinPackMin::CDRsMinPackMin ( )

References ab_info_, init(), and user_defined_.

protocols::antibody::CDRsMinPackMin::CDRsMinPackMin ( AntibodyInfoOP  antibody_info)

References ab_info_, init(), and user_defined_.

protocols::antibody::CDRsMinPackMin::CDRsMinPackMin ( AntibodyInfoOP  antibody_info,
core::scoring::ScoreFunctionOP  scorefxn,
core::pack::task::TaskFactoryOP  tf,
core::kinematics::MoveMapOP  movemap 
)
protocols::antibody::CDRsMinPackMin::~CDRsMinPackMin ( )
overridedefault

Member Function Documentation

void protocols::antibody::CDRsMinPackMin::apply ( core::pose::Pose )
overridevirtual

Main Method.

Implements protocols::moves::Mover.

References cdr_sequence_move_, finalize_setup(), and update_rounds_.

void protocols::antibody::CDRsMinPackMin::finalize_setup ( core::pose::Pose pose)
private
std::string protocols::antibody::CDRsMinPackMin::get_name ( ) const
overridevirtual

Each derived class must specify its name. The class name.

Implements protocols::moves::Mover.

void protocols::antibody::CDRsMinPackMin::init ( void  )
private
void protocols::antibody::CDRsMinPackMin::set_alter_foldtree ( bool  setting)
inline

References alter_foldtree_.

void protocols::antibody::CDRsMinPackMin::set_move_map ( core::kinematics::MoveMapCOP  movemap)

References allcdr_map_.

void protocols::antibody::CDRsMinPackMin::set_rt_min ( bool  rtmin)
inline

References rt_min_.

void protocols::antibody::CDRsMinPackMin::set_sc_min ( bool  scmin)
inline

References sc_min_.

void protocols::antibody::CDRsMinPackMin::set_task_factory ( core::pack::task::TaskFactoryCOP  tf)

References tf_.

void protocols::antibody::CDRsMinPackMin::set_turnoff_minimization ( bool  setting)
inline

References turnoff_minimization_.

void protocols::antibody::CDRsMinPackMin::show ( std::ostream &  out = std::cout) const
overridevirtual

Show the complete setup of the antibody modeler protocol

Reimplemented from protocols::moves::Mover.

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out,
const CDRsMinPackMin ab_m_2 
)
friend

Member Data Documentation

AntibodyInfoOP protocols::antibody::CDRsMinPackMin::ab_info_
private

Referenced by CDRsMinPackMin(), and finalize_setup().

core::kinematics::MoveMapOP protocols::antibody::CDRsMinPackMin::allcdr_map_
private
bool protocols::antibody::CDRsMinPackMin::alter_foldtree_
private
bool protocols::antibody::CDRsMinPackMin::benchmark_
private

Referenced by init().

protocols::moves::SequenceMoverOP protocols::antibody::CDRsMinPackMin::cdr_sequence_move_
private

Referenced by apply(), and finalize_setup().

core::scoring::ScoreFunctionOP protocols::antibody::CDRsMinPackMin::loop_scorefxn_highres_
private
core::Real protocols::antibody::CDRsMinPackMin::min_tolerance_
private

Referenced by finalize_setup(), and init().

std::string protocols::antibody::CDRsMinPackMin::min_type_
private

Referenced by finalize_setup(), and init().

bool protocols::antibody::CDRsMinPackMin::rt_min_
private
bool protocols::antibody::CDRsMinPackMin::sc_min_
private
core::Real protocols::antibody::CDRsMinPackMin::Temperature_
private

Referenced by finalize_setup(), and init().

core::pack::task::TaskFactoryOP protocols::antibody::CDRsMinPackMin::tf_
private
bool protocols::antibody::CDRsMinPackMin::turnoff_minimization_
private
core::Size protocols::antibody::CDRsMinPackMin::update_rounds_
private

Referenced by apply(), finalize_setup(), and init().

bool protocols::antibody::CDRsMinPackMin::user_defined_
private

Referenced by CDRsMinPackMin(), and init().


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