Public Types | Public Member Functions | Static Public Member Functions | Protected Attributes | Private Member Functions | List of all members
protocols::rigid::RigidBodyTiltMover Class Reference

A Mover that tilts around the spin axis. More...

#include <RigidBodyMover.hh>

Inheritance diagram for protocols::rigid::RigidBodyTiltMover:
Inheritance graph

Public Types

typedef RigidBodyMover parent
- Public Types inherited from protocols::rigid::RigidBodyMover
typedef ThermodynamicMover parent
- 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

Public Member Functions

 RigidBodyTiltMover ()
 RigidBodyTiltMover (int const rb_jump_in, core::Real const tilt1_mag_in, core::Real const tilt2_mag_in, core::Size const tilt1_center_in, core::Size const tilt2_center_in)
 constructor with arguments spin axis is initialized to 0 and then calculated during apply() More...
 RigidBodyTiltMover (RigidBodyTiltMover const &src)
 ~RigidBodyTiltMover () override
void spin_axis (core::Vector const &spin_axis_in)
void tilt1_mag (core::Real const tilt1_mag_in)
void tilt2_mag (core::Real const tilt2_mag_in)
void tilt1_center (core::Size const tilt1_center_in)
void tilt2_center (core::Size const tilt2_center_in)
void tilt1_center (core::pose::ResidueIndexDescriptionCOP tilt1_center_in)
void tilt2_center (core::pose::ResidueIndexDescriptionCOP tilt2_center_in)
void apply (core::pose::Pose &pose) override
 Main Method. More...
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. 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::rigid::RigidBodyMover
 RigidBodyMover ()
 RigidBodyMover (int const rb_jump_in, Direction dir_in=n2c)
 RigidBodyMover (RigidBodyMover const &src)
 ~RigidBodyMover () override
void rot_center (core::Vector const &rot_center_in)
 Manual override of rotation center. More...
void show (std::ostream &output=std::cout) const override
 Outputs details about the Mover, including current settings. More...
bool preserve_detailed_balance () const override
 Return true if detailed balance is being preserved (i.e. no branch angle optimization). More...
void set_preserve_detailed_balance (bool) override
 set whether detailed balance is preserved (i.e. no branch angle optimization during moves) More...
utility::vector1< core::id::TorsionID_Rangetorsion_id_ranges (core::pose::Pose &pose) override
 get the TorsionIDs perturbed by the mover during moves, along with their ranges More...
int rb_jump () const
void rb_jump (int jump_id)
void unfreeze ()
void freeze ()
- Public Member Functions inherited from protocols::canonical_sampling::ThermodynamicMover
 ThermodynamicMover ()
 Default constructor. More...
 ~ThermodynamicMover () override
 Default destructor. More...
virtual void initialize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover, core::Size cycle)
 Callback executed before any Monte Carlo trials are attempted. More...
virtual void observe_after_metropolis (protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
 Callback executed after the Metropolis criterion is evaluated. More...
core::Real last_proposal_density_ratio () override
 Return the proposal density ratio for last apply method. More...
virtual void finalize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
 Callback executed after all Monte Carlo trials are completed. More...
virtual bool is_multi_trial ()
 Return true if the move performs multiple trials on each apply. More...
virtual core::Real last_inner_score_delta_over_temperature ()
 If this is a multi-trial move, return the change in internal score/temperature caused by the last call to apply(). More...
virtual protocols::canonical_sampling::MetropolisHastingsMoverAP metropolis_hastings_mover ()
 If this is a multi-trial move, return the MetropolisHastingsMover being used internally. More...
virtual void set_metropolis_hastings_mover (protocols::canonical_sampling::MetropolisHastingsMoverAP metropolis_hastings_mover)
 If this is a multi-trial move, set the MetropolisHastingsMover to be used internally. More...
virtual utility::vector1< core::id::DOF_ID_Rangedof_id_ranges (core::pose::Pose &pose)
 Return a list specifying which degrees of freedom may be perturbed by apply(), and the in what range each perturbation may be. 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 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...

Protected Attributes

core::Real tilt1_mag_
core::Real tilt2_mag_
core::pose::ResidueIndexDescriptionCOP tilt1_center_
core::pose::ResidueIndexDescriptionCOP tilt2_center_
core::Vector spin_axis_
- Protected Attributes inherited from protocols::rigid::RigidBodyMover
int rb_jump_
Direction dir_
 direction of folding (n-term to c-term) More...
core::Vector rot_center_
 center of rotation More...
bool freeze_

Private Member Functions

void tilt (core::pose::Pose &pose, std::string const &which, core::Real tilt_mag, core::Vector const &tilt_center, core::Vector const &spin_axis, core::Vector const &partner_center, Direction dir, core::kinematics::Stub const &upstream_stub, core::kinematics::Stub const &downstream_stub) const
core::Vector find_tilt_center (core::pose::Pose const &pose, core::Size tilt_center_res, core::Vector const &partner_center) const

Additional Inherited Members

- 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...

Detailed Description

A Mover that tilts around the spin axis.

Member Typedef Documentation

◆ parent

Constructor & Destructor Documentation

◆ RigidBodyTiltMover() [1/3]

protocols::rigid::RigidBodyTiltMover::RigidBodyTiltMover ( )

◆ RigidBodyTiltMover() [2/3]

protocols::rigid::RigidBodyTiltMover::RigidBodyTiltMover ( int const  rb_jump_in,
core::Real const  tilt1_mag_in,
core::Real const  tilt2_mag_in,
core::Size const  tilt1_center_in,
core::Size const  tilt2_center_in 

constructor with arguments spin axis is initialized to 0 and then calculated during apply()

References protocols::moves::Mover::type().

◆ RigidBodyTiltMover() [3/3]

protocols::rigid::RigidBodyTiltMover::RigidBodyTiltMover ( RigidBodyTiltMover const &  src)

◆ ~RigidBodyTiltMover()

protocols::rigid::RigidBodyTiltMover::~RigidBodyTiltMover ( )

Member Function Documentation

◆ apply()

void protocols::rigid::RigidBodyTiltMover::apply ( core::pose::Pose )

◆ clone()

moves::MoverOP protocols::rigid::RigidBodyTiltMover::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.

◆ find_tilt_center()

core::Vector protocols::rigid::RigidBodyTiltMover::find_tilt_center ( core::pose::Pose const &  pose,
core::Size  tilt_center_res,
core::Vector const &  partner_center 
) const

◆ fresh_instance()

moves::MoverOP protocols::rigid::RigidBodyTiltMover::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::rigid::RigidBodyTiltMover::get_name ( ) const

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

Reimplemented from protocols::rigid::RigidBodyMover.

References mover_name().

◆ mover_name()

std::string protocols::rigid::RigidBodyTiltMover::mover_name ( )

◆ parse_my_tag()

void protocols::rigid::RigidBodyTiltMover::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap data 

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't force people to reimplement this method. However, we should be chatty about the fact that someone is using a RosettaScripts interface to a mover which didn't define parse_my_tag()

Reimplemented from protocols::moves::Mover.

References core::pose::parse_resnum(), protocols::rigid::RigidBodyMover::rb_jump(), spin_axis(), tilt1_center(), tilt1_mag(), tilt2_center(), tilt2_mag(), and protocols::rigid::TRBM().

◆ provide_xml_schema()

void protocols::rigid::RigidBodyTiltMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)

◆ spin_axis()

void protocols::rigid::RigidBodyTiltMover::spin_axis ( core::Vector const &  spin_axis_in)

◆ tilt()

void protocols::rigid::RigidBodyTiltMover::tilt ( core::pose::Pose pose,
std::string const &  which,
core::Real  tilt_mag,
core::Vector const &  tilt_center,
core::Vector const &  spin_axis,
core::Vector const &  partner_center,
Direction  dir,
core::kinematics::Stub const &  upstream_stub,
core::kinematics::Stub const &  downstream_stub 
) const

◆ tilt1_center() [1/2]

void protocols::rigid::RigidBodyTiltMover::tilt1_center ( core::pose::ResidueIndexDescriptionCOP  tilt1_center_in)

References tilt1_center_.

◆ tilt1_center() [2/2]

void protocols::rigid::RigidBodyTiltMover::tilt1_center ( core::Size const  tilt1_center_in)

◆ tilt1_mag()

void protocols::rigid::RigidBodyTiltMover::tilt1_mag ( core::Real const  tilt1_mag_in)

References tilt1_mag_.

Referenced by parse_my_tag().

◆ tilt2_center() [1/2]

void protocols::rigid::RigidBodyTiltMover::tilt2_center ( core::pose::ResidueIndexDescriptionCOP  tilt2_center_in)

References tilt2_center_.

◆ tilt2_center() [2/2]

void protocols::rigid::RigidBodyTiltMover::tilt2_center ( core::Size const  tilt2_center_in)

◆ tilt2_mag()

void protocols::rigid::RigidBodyTiltMover::tilt2_mag ( core::Real const  tilt2_mag_in)

References tilt2_mag_.

Referenced by parse_my_tag().

Member Data Documentation

◆ spin_axis_

core::Vector protocols::rigid::RigidBodyTiltMover::spin_axis_

Referenced by apply(), and spin_axis().

◆ tilt1_center_

core::pose::ResidueIndexDescriptionCOP protocols::rigid::RigidBodyTiltMover::tilt1_center_

Referenced by apply(), and tilt1_center().

◆ tilt1_mag_

core::Real protocols::rigid::RigidBodyTiltMover::tilt1_mag_

Referenced by apply(), and tilt1_mag().

◆ tilt2_center_

core::pose::ResidueIndexDescriptionCOP protocols::rigid::RigidBodyTiltMover::tilt2_center_

Referenced by apply(), and tilt2_center().

◆ tilt2_mag_

core::Real protocols::rigid::RigidBodyTiltMover::tilt2_mag_

Referenced by apply(), and tilt2_mag().

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