Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
protocols::hybridization::BackboneTorsionPerturbation Class Reference

#include <BackboneTorsionPerturbation.hh>

Inheritance diagram for protocols::hybridization::BackboneTorsionPerturbation:
Inheritance graph

Public Member Functions

 BackboneTorsionPerturbation ()
 empty constructor fills values with the expected defaults More...
 ~BackboneTorsionPerturbation () override
void init ()
void set_scorefunction (core::scoring::ScoreFunctionOP const scorefxn)
void perturb (core::pose::Pose &pose, core::Real max_delta_torsion)
void perturb (core::pose::Pose &pose, core::Size level, core::Real max_delta_torsion, core::Size local, bool rama_biased, bool repack, bool minimize)
void apply (core::pose::Pose &pose) override
 Main Method. More...
void task_factory (core::pack::task::TaskFactoryCOP tf)
void parse_my_tag (TagCOP tag, basic::datacache::DataMap &datamap) override
 parse XML (specifically in the context of the parser/scripting scheme) More...
protocols::moves::MoverOP clone () const override
 Return a clone of the Mover object. More...
protocols::moves::MoverOP fresh_instance () const override
 Generates a new Mover object freshly created with the default ctor. More...
std::string get_name () const override
 Each derived class must specify its name. The class name. More...
- 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 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...
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
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 void show (std::ostream &output=std::cout) const
 Outputs details about the Mover, including current settings. 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...

Static Public Member Functions

static std::string mover_name ()
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
- 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...

Private Attributes

core::scoring::ScoreFunctionOP scorefxn_
core::Real increase_cycles_
core::Real temperature_
bool recover_low_
core::Size local_
bool dump_snapshots_
std::string snapshot_prefix_
core::Size snapshot_interval_
core::Size snapshot_counter_
core::Size perturbed_res_
protocols::minimization_packing::PackRotamersMoverOP pack_full_repack_
core::optimization::AtomTreeMinimizerOP minimizer_
core::pose::PoseOP native_
core::optimization::MinimizerOptionsOP options_
core::kinematics::MoveMap mm_
core::pack::task::TaskFactoryCOP task_factory_

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
- 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

◆ BackboneTorsionPerturbation()

protocols::hybridization::BackboneTorsionPerturbation::BackboneTorsionPerturbation ( )

empty constructor fills values with the expected defaults

References core::init::init().

◆ ~BackboneTorsionPerturbation()

protocols::hybridization::BackboneTorsionPerturbation::~BackboneTorsionPerturbation ( )

Member Function Documentation

◆ apply()

void protocols::hybridization::BackboneTorsionPerturbation::apply ( core::pose::Pose )

◆ clone()

moves::MoverOP protocols::hybridization::BackboneTorsionPerturbation::clone ( ) const

Return a clone of the Mover object.

clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.

Reimplemented from protocols::moves::Mover.

◆ fresh_instance()

moves::MoverOP protocols::hybridization::BackboneTorsionPerturbation::fresh_instance ( ) const

Generates a new Mover object freshly created with the default ctor.

fresh_instance is meant to return a new object of this class, created with the default constructor. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

◆ get_name()

std::string protocols::hybridization::BackboneTorsionPerturbation::get_name ( ) const

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

Implements protocols::moves::Mover.

◆ init()

void protocols::hybridization::BackboneTorsionPerturbation::init ( void  )

◆ mover_name()

std::string protocols::hybridization::BackboneTorsionPerturbation::mover_name ( )

◆ parse_my_tag()

void protocols::hybridization::BackboneTorsionPerturbation::parse_my_tag ( TagCOP  tag,
basic::datacache::DataMap datamap 

parse XML (specifically in the context of the parser/scripting scheme)

Reimplemented from protocols::moves::Mover.

References core::pack::task::parse_task_operations(), core::import_pose::PDB_file, core::import_pose::pose_from_file(), and protocols::hybridization::TR().

◆ perturb() [1/2]

void protocols::hybridization::BackboneTorsionPerturbation::perturb ( core::pose::Pose pose,
core::Real  max_delta_torsion 

◆ perturb() [2/2]

void protocols::hybridization::BackboneTorsionPerturbation::perturb ( core::pose::Pose pose,
core::Size  level,
core::Real  max_delta_torsion,
core::Size  local,
bool  rama_biased,
bool  repack,
bool  minimize 

◆ provide_xml_schema()

void protocols::hybridization::BackboneTorsionPerturbation::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)

◆ set_scorefunction()

void protocols::hybridization::BackboneTorsionPerturbation::set_scorefunction ( core::scoring::ScoreFunctionOP const  scorefxn)

References scorefxn_.

◆ task_factory()

void protocols::hybridization::BackboneTorsionPerturbation::task_factory ( core::pack::task::TaskFactoryCOP  tf)

Member Data Documentation

◆ dump_snapshots_

bool protocols::hybridization::BackboneTorsionPerturbation::dump_snapshots_

◆ increase_cycles_

core::Real protocols::hybridization::BackboneTorsionPerturbation::increase_cycles_

◆ local_

core::Size protocols::hybridization::BackboneTorsionPerturbation::local_

◆ minimizer_

core::optimization::AtomTreeMinimizerOP protocols::hybridization::BackboneTorsionPerturbation::minimizer_

◆ mm_

core::kinematics::MoveMap protocols::hybridization::BackboneTorsionPerturbation::mm_

◆ native_

core::pose::PoseOP protocols::hybridization::BackboneTorsionPerturbation::native_

◆ options_

core::optimization::MinimizerOptionsOP protocols::hybridization::BackboneTorsionPerturbation::options_

◆ pack_full_repack_

protocols::minimization_packing::PackRotamersMoverOP protocols::hybridization::BackboneTorsionPerturbation::pack_full_repack_

◆ perturbed_res_

core::Size protocols::hybridization::BackboneTorsionPerturbation::perturbed_res_

◆ recover_low_

bool protocols::hybridization::BackboneTorsionPerturbation::recover_low_

◆ scorefxn_

core::scoring::ScoreFunctionOP protocols::hybridization::BackboneTorsionPerturbation::scorefxn_

Referenced by set_scorefunction().

◆ snapshot_counter_

core::Size protocols::hybridization::BackboneTorsionPerturbation::snapshot_counter_

◆ snapshot_interval_

core::Size protocols::hybridization::BackboneTorsionPerturbation::snapshot_interval_

◆ snapshot_prefix_

std::string protocols::hybridization::BackboneTorsionPerturbation::snapshot_prefix_

◆ task_factory_

core::pack::task::TaskFactoryCOP protocols::hybridization::BackboneTorsionPerturbation::task_factory_

◆ temperature_

core::Real protocols::hybridization::BackboneTorsionPerturbation::temperature_

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