protocols::simple_moves::MinMover Class Reference

A protocols::moves::Mover that minimizes a Pose to a local energy minimum by performing energy minimization of a ScoreFunction over the allowable degrees of freedom, defined by a MoveMap. The minimization type, minimization tolerance, and various other options can be also be set. More...

#include <MinMover.hh>

Public Types
typedef core::scoring::ScoreFunctionCOP	ScoreFunctionCOP
typedef core::optimization::MinimizerOptionsOP	MinimizerOptionsOP
typedef core::optimization::MinimizerOptionsCOP	MinimizerOptionsCOP
typedef core::Real	Real
Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagCOP	TagCOP
typedef core::pose::Pose	Pose
typedef core::pose::PoseCOP	PoseCOP
typedef protocols::filters::Filters_map	Filters_map
typedef std::list< std::string >	Strings

Public Member Functions
	MinMover ()
	Constructs a MinMover minmover = protocols::simple_moves::MinMover() More...
	MinMover (std::string const &)
virtual	~MinMover ()
	MinMover (core::kinematics::MoveMapOP movemap_in, ScoreFunctionCOP scorefxn_in, std::string const &min_type_in, Real tolerance_in, bool use_nb_list_in, bool deriv_check_in=false, bool deriv_check_verbose_in=false)
virtual void	apply (core::pose::Pose &pose_)
	Minimizes the DOFs of <pose_> specified in the MoveMap using the ScoreFunction. More...
virtual std::string	get_name () const
	Each derived class must specify its name. The class name. More...
virtual void	show (std::ostream &output=std::cout) const
	Outputs details about the Mover, including current settings. More...
void	cartesian (bool newval)
bool	cartesian () const
virtual protocols::moves::MoverOP	clone () const
	Return a clone of the Mover object. More...
virtual protocols::moves::MoverOP	fresh_instance () const
	Generates a new Mover object freshly created with the default ctor. More...
virtual void	parse_my_tag (TagCOP, basic::datacache::DataMap &, Filters_map const &, protocols::moves::Movers_map const &, Pose const &)
	Called by protocols::moves::MoverFactory when constructing new protocols::moves::Movers. Takes care of the specific mover's parsing. More...
void	parse_opts (TagCOP, basic::datacache::DataMap &data_map, Filters_map const &, protocols::moves::Movers_map const &, Pose const &)
void	parse_chi_and_bb (TagCOP)
void	parse_dof_tasks (TagCOP tag, basic::datacache::DataMap &data)
void	parse_dof_task_type (std::string const &tag_name, core::id::DOF_Type dof_type, core::id::TorsionType torsion_type, TagCOP tag, basic::datacache::DataMap &data)
virtual void	parse_def_opts (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, protocols::moves::MoverCacheSP cache)
virtual void	parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, protocols::moves::MoverCacheSP cache)
virtual MinimizerOptionsOP	min_options ()
	allow non-const access to the internal minimizer options object More...
virtual MinimizerOptionsCOP	min_options () const
	allow const access to the internal minimizer options object More...
virtual void	min_options (MinimizerOptionsOP min_options)
	directly set the internal minimizer options object More...
virtual void	movemap (core::kinematics::MoveMapCOP movemap_in)
	Sets the MoveMap to <movemap_in> determines which DOF to minimize. More...
virtual void	set_movemap (core::kinematics::MoveMapCOP movemap_in)
virtual core::kinematics::MoveMapCOP	movemap () const
virtual void	score_function (ScoreFunctionCOP scorefxn_in)
	Sets the ScoreFunction to <scorefxn_in> determines which function to minimize. More...
virtual void	score_function (core::scoring::ScoreFunction const &scorefxn_in)
virtual ScoreFunctionCOP	score_function () const
virtual void	min_type (std::string min_type_in)
virtual void	tolerance (Real tolerance_in)
virtual void	nb_list (bool nb_list_in)
virtual void	deriv_check (bool deriv_check_in)
virtual void	max_iter (Size max_iter_in)
Real	tolerance () const
std::string	min_type () const
bool	nb_list () const
bool	deriv_check () const
bool	omega () const
void	omega (bool const b)
Public Member Functions inherited from protocols::moves::MoveMapMover
	MoveMapMover ()
	MoveMapMover (std::string const &name)
	MoveMapMover (MoveMapMover const &other)
virtual	~MoveMapMover ()
virtual void	initialize (core::pose::Pose &)
Public Member Functions inherited from protocols::moves::Mover
	Mover ()
virtual	~Mover ()
virtual MoverSP	create ()
virtual void	apply (core::io::serialization::PipeMap &pmap)
virtual void	parse_state (SerializableState const &state)
virtual void	save_state (SerializableState &state)
	Mover (std::string const &type_name)
	sets the type for a mover; name_ has been removed (2010/05/14) More...
	Mover (Mover const &other)
Mover &	operator= (Mover const &other)
	assignment operator More...
virtual core::Real	last_proposal_density_ratio ()
std::string const &	type () const
void	set_type (std::string const &setting)
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...
void	set_current_tag (std::string const &new_tag)
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	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...
void	type (const std::string &type_in)
std::string	get_type () const
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...
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 Strings &	info ()
	non-const accessor More...
virtual Strings const &	info () const
	const accessor 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...
void	set_current_job (protocols::jobdist::BasicJobCOP job)
jobdist::BasicJobCOP	get_current_job () const

Protected Member Functions
void	apply_dof_tasks_to_movemap (core::pose::Pose const &pose, core::kinematics::MoveMap &movemap) const
	for use with RosettaScripts current method of using TaskOperations to specify residue sets. 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...

Private Types
typedef protocols::moves::MoveMapMover	Parent
typedef std::map< std::pair < core::id::DOF_Type, core::id::TorsionType > , core::pack::task::TaskFactoryOP >	DOF_TaskMap

Private Attributes
core::kinematics::MoveMapOP	movemap_
bool	omega_
ScoreFunctionCOP	scorefxn_
MinimizerOptionsOP	min_options_
Real	threshold_
bool	cartesian_
DOF_TaskMap	dof_tasks_

Additional Inherited Members
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...

Detailed Description

A protocols::moves::Mover that minimizes a Pose to a local energy minimum by performing energy minimization of a ScoreFunction over the allowable degrees of freedom, defined by a MoveMap. The minimization type, minimization tolerance, and various other options can be also be set.

Common Methods: MinMover.apply MinMover.movemap MinMover.score_function

Member Typedef Documentation

typedef std::map< std::pair< core::id::DOF_Type, core::id::TorsionType >, core::pack::task::TaskFactoryOP > protocols::simple_moves::MinMover::DOF_TaskMap

private

typedef core::optimization::MinimizerOptionsCOP protocols::simple_moves::MinMover::MinimizerOptionsCOP

typedef core::optimization::MinimizerOptionsOP protocols::simple_moves::MinMover::MinimizerOptionsOP

typedef protocols::moves::MoveMapMover protocols::simple_moves::MinMover::Parent

private

typedef core::Real protocols::simple_moves::MinMover::Real

typedef core::scoring::ScoreFunctionCOP protocols::simple_moves::MinMover::ScoreFunctionCOP

Constructor & Destructor Documentation

protocols::simple_moves::MinMover::MinMover

(

)

Constructs a MinMover minmover = protocols::simple_moves::MinMover()

References min_options_, and omega_.

Referenced by fresh_instance().

protocols::simple_moves::MinMover::MinMover

(

std::string const &

name

)

References min_options_, and omega_.

protocols::simple_moves::MinMover::~MinMover ( )

virtual

protocols::simple_moves::MinMover::MinMover	(	core::kinematics::MoveMapOP	movemap_in,
		ScoreFunctionCOP	scorefxn_in,
		std::string const &	min_type_in,
		Real	tolerance_in,
		bool	use_nb_list_in,
		bool	deriv_check_in = false,
		bool	deriv_check_verbose_in = false
	)

References min_options_, and omega_.

Member Function Documentation

void protocols::simple_moves::MinMover::apply ( core::pose::Pose &  pose_ )

virtual

Minimizes the DOFs of <pose_> specified in the MoveMap using the ScoreFunction.

example(s): minmover.apply(pose) See also: MinMover MinMover.movemap MinMover.score_function

Implements protocols::moves::Mover.

Reimplemented in protocols::simple_moves::symmetry::SymMinMover, and protocols::dna::DnaInterfaceMinMover.

References apply_dof_tasks_to_movemap(), BB, cartesian(), get_score_function(), core::conformation::Residue::is_protein(), min_options_, basic::MINMOVER_APPLY, movemap(), omega_, core::id::omega_torsion(), PROF_START, PROF_STOP, core::pose::Pose::residue(), scorefxn_, core::kinematics::MoveMap::set(), core::pose::Pose::total_residue(), and protocols::simple_moves::TR.

Referenced by protocols::protein_interface_design::movers::PrepackMover::apply(), protocols::simple_moves::TaskAwareMinMover::apply(), protocols::ligand_docking::FinalMinimizer::apply(), protocols::symmetric_docking::SymSidechainMinMover::apply(), protocols::flexpep_docking::FlexPepDockingLowRes::apply(), protocols::docking::SidechainMinMover::apply(), protocols::protein_interface_design::movers::LoopRemodel::apply(), protocols::ncbb::NcbbDockDesignProtocol::apply(), protocols::ncbb::oop::OopDockDesignProtocol::apply(), protocols::antibody::H3RefineCCD::apply(), protocols::ligand_docking::HighResDocker::apply(), protocols::symmetric_docking::SymInterfaceSidechainMinMover::apply(), protocols::hybridization::HybridizeProtocol::apply(), protocols::docking::InterfaceSidechainMinMover::apply(), protocols::ncbb::oop::OopCreatorMover::apply(), protocols::relax::CentroidRelax::apply(), protocols::forge::remodel::RemodelMover::apply(), protocols::make_rot_lib::calc_std_dev(), protocols::ligand_docking::LigandDockProtocol::classic_protocol(), protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::computeBoltzWeight(), protocols::enzdes::EnzdesBaseProtocol::cst_minimize(), protocols::toolbox::pose_metric_calculators::dock_waters_to_atom(), protocols::enzdes::EnzdesFlexBBProtocol::generate_alc_ensemble_for_region(), protocols::enzdes::EnzdesFlexBBProtocol::generate_backrub_ensemble_for_region(), protocols::enzdes::PackRotamersMoverPartGreedy::greedy_around(), protocols::flexpep_docking::FlexPepDockingProtocol::hires_fpdock_protocol(), protocols::make_rot_lib::min_rotamers(), protocols::simple_moves::PeptideStapleMover::minimize_(), protocols::antibody::design::AntibodyDesignModeler::minimize_cdrs(), protocols::antibody::design::AntibodyDesignModeler::minimize_cdrs_and_neighbor_sc(), protocols::antibody::design::AntibodyDesignModeler::minimize_interface(), protocols::flexpep_docking::FlexPepDockingProtocol::minimize_only(), protocols::simple_moves::CyclizationMover::minimize_rebuild(), protocols::make_rot_lib::MakeRotLibMover::minimize_rotamer(), protocols::flexpep_docking::FlexPepDockingProtocol::prepack_only(), protocols::enzdes::MinimizeStoredRBConfs::rb_minimize_all_confs(), protocols::flexpep_docking::FlexPepDockingProtocol::rigidbody_monte_carlo_minimize(), protocols::ligand_docking::LigandDockProtocol::shear_min_protocol(), and protocols::flexpep_docking::FlexPepDockingProtocol::torsions_monte_carlo_minimize().

void protocols::simple_moves::MinMover::apply_dof_tasks_to_movemap ( core::pose::Pose const &  pose, core::kinematics::MoveMap &  movemap  ) const

protected

for use with RosettaScripts current method of using TaskOperations to specify residue sets.

restrict the move map by the packer task: If a residue is not designable, the backbone is fixes If a residue is not packable, the sidechain is fixed

WARNING: This is extending the abuse of using task operations for general ResidueSubsets

When TaskOperations replaced with ResidueSetOperations please change this too!

References dof_tasks_, nres, core::id::PHI, and t.

Referenced by protocols::simple_moves::symmetry::SymMinMover::apply(), and apply().

void protocols::simple_moves::MinMover::cartesian ( bool  newval )

inline

References cartesian_.

Referenced by protocols::relax::CentroidRelax::apply().

bool protocols::simple_moves::MinMover::cartesian ( ) const

inline

References cartesian_.

Referenced by protocols::simple_moves::symmetry::SymMinMover::apply(), apply(), parse_def_opts(), and parse_opts().

protocols::moves::MoverOP protocols::simple_moves::MinMover::clone ( ) const

virtual

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.

Reimplemented in protocols::simple_moves::symmetry::SymMinMover, and protocols::dna::DnaInterfaceMinMover.

Referenced by parse_def_opts().

void protocols::simple_moves::MinMover::deriv_check ( bool  deriv_check_in )

virtual

References min_options_.

bool protocols::simple_moves::MinMover::deriv_check

(

)

const

References min_options_.

Referenced by show().

protocols::moves::MoverOP protocols::simple_moves::MinMover::fresh_instance ( ) const

virtual

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.

Reimplemented in protocols::simple_moves::symmetry::SymMinMover, and protocols::dna::DnaInterfaceMinMover.

References MinMover().

std::string protocols::simple_moves::MinMover::get_name ( ) const

virtual

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

Implements protocols::moves::Mover.

Reimplemented in protocols::simple_moves::symmetry::SymMinMover, and protocols::dna::DnaInterfaceMinMover.

References protocols::simple_moves::MinMoverCreator::mover_name().

void protocols::simple_moves::MinMover::max_iter ( Size  max_iter_in )

virtual

References min_options_.

Referenced by parse_opts().

MinimizerOptionsOP protocols::simple_moves::MinMover::min_options ( )

virtual

allow non-const access to the internal minimizer options object

References min_options_.

Referenced by protocols::dna::DnaInterfaceMinMover::apply(), protocols::ligand_docking::FinalMinimizer::apply(), protocols::simple_moves::symmetry::SymMinMover::apply(), protocols::ligand_docking::HighResDocker::apply(), protocols::ligand_docking::LigandDockProtocol::classic_protocol(), min_options(), protocols::simple_moves::PeptideStapleMover::minimize_(), and protocols::ligand_docking::LigandDockProtocol::shear_min_protocol().

MinimizerOptionsCOP protocols::simple_moves::MinMover::min_options ( ) const

virtual

allow const access to the internal minimizer options object

References min_options_.

void protocols::simple_moves::MinMover::min_options ( MinimizerOptionsOP  min_options )

virtual

directly set the internal minimizer options object

References min_options(), and min_options_.

void protocols::simple_moves::MinMover::min_type ( std::string  min_type_in )

virtual

References min_options_.

Referenced by protocols::surface_docking::FullatomRelaxMover::inner_loop_refinement(), protocols::surface_docking::FullatomRelaxMover::outer_loop_refinement_solution(), and protocols::optimize_weights::IterativeOptEDriver::repack_and_minimize_pose().

std::string protocols::simple_moves::MinMover::min_type

(

)

const

References min_options_.

Referenced by protocols::dna::DnaInterfaceMinMover::DnaInterfaceMinMover(), parse_def_opts(), protocols::dna::DnaInterfaceMinMover::parse_my_tag(), parse_opts(), and show().

void protocols::simple_moves::MinMover::movemap ( core::kinematics::MoveMapCOP  movemap_in )

virtual

Sets the MoveMap to <movemap_in> determines which DOF to minimize.

example(s): minmover.movemap(movemap1) See also: MinMover MinMover.apply MinMover.score_function MoveMap

References movemap_, and runtime_assert.

Referenced by protocols::simple_moves::TaskAwareMinMover::apply(), protocols::relax::ClassicRelax::apply(), protocols::flexpep_docking::FlexPepDockingProtocol::prepack_only(), and protocols::enzdes::RemoveLigandFilter::RemoveLigandFilter().

MoveMapCOP protocols::simple_moves::MinMover::movemap ( ) const

virtual

Implements protocols::moves::MoveMapMover.

References movemap_.

Referenced by protocols::dna::DnaInterfaceMinMover::apply(), protocols::simple_moves::symmetry::SymMinMover::apply(), apply(), protocols::dna::DnaInterfaceMinMover::reset_from_interface(), set_movemap(), and show().

void protocols::simple_moves::MinMover::nb_list ( bool  nb_list_in )

virtual

References min_options_.

bool protocols::simple_moves::MinMover::nb_list

(

)

const

References min_options_.

Referenced by show().

bool protocols::simple_moves::MinMover::omega ( ) const

inline

References omega_.

void protocols::simple_moves::MinMover::omega ( bool const  b )

inline

References protocols::match::upstream::b, and omega_.

void protocols::simple_moves::MinMover::parse_chi_and_bb

(

TagCOP

tag

)

References core::id::D, movemap_, omega_, core::kinematics::MoveMap::set(), core::kinematics::MoveMap::set_bb(), core::kinematics::MoveMap::set_chi(), core::id::THETA, and protocols::simple_moves::TR.

Referenced by parse_my_tag().

void protocols::simple_moves::MinMover::parse_def ( utility::lua::LuaObject const &  def, utility::lua::LuaObject const &  score_fxns, utility::lua::LuaObject const &  tasks, protocols::moves::MoverCacheSP  cache  )

virtual

Reimplemented from protocols::moves::Mover.

References movemap_, parse_def_opts(), protocols::elscripts::parse_movemapdef(), and core::kinematics::MoveMap::set_chi().

void protocols::simple_moves::MinMover::parse_def_opts ( utility::lua::LuaObject const &  def, utility::lua::LuaObject const &  score_fxns, utility::lua::LuaObject const &  tasks, protocols::moves::MoverCacheSP  cache  )

virtual

References begin, cartesian(), clone(), end, min_type(), movemap_, protocols::elscripts::parse_scoredef(), score_function(), core::kinematics::MoveMap::set_jump(), tolerance(), and protocols::simple_moves::TR.

Referenced by parse_def().

void protocols::simple_moves::MinMover::parse_dof_task_type	(	std::string const &	tag_name,
		core::id::DOF_Type	dof_type,
		core::id::TorsionType	torsion_type,
		TagCOP	tag,
		basic::datacache::DataMap &	data
	)

helper function for parse_of_tasks

References dof_tasks_, basic::datacache::DataMap::get(), basic::datacache::DataMap::has(), core::pack::task::TaskFactory::push_back(), utility::string_split(), protocols::simple_moves::TR, and utility_exit_with_message.

Referenced by parse_dof_tasks().

void protocols::simple_moves::MinMover::parse_dof_tasks	(	TagCOP	tag,
		basic::datacache::DataMap &	data
	)

References core::id::BB, core::id::CHI, core::id::D, parse_dof_task_type(), core::id::PHI, core::id::THETA, and protocols::simple_moves::TR.

Referenced by parse_my_tag().

void protocols::simple_moves::MinMover::parse_my_tag ( TagCOP  tag, basic::datacache::DataMap &  data, Filters_map const &  filters, protocols::moves::Movers_map const &  movers, Pose const &  pose  )

virtual

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

Reimplemented from protocols::moves::Mover.

Reimplemented in protocols::simple_moves::symmetry::SymMinMover, and protocols::dna::DnaInterfaceMinMover.

References movemap_, parse_chi_and_bb(), parse_dof_tasks(), protocols::rosetta_scripts::parse_movemap(), and parse_opts().

Referenced by protocols::simple_moves::symmetry::SymMinMover::parse_my_tag().

void protocols::simple_moves::MinMover::parse_opts	(	TagCOP	tag,
		basic::datacache::DataMap &	data_map,
		Filters_map const &	,
		protocols::moves::Movers_map const &	,
		Pose const &
	)

References cartesian(), jumps, max_iter(), min_type(), movemap_, protocols::rosetta_scripts::parse_score_function(), score_function(), core::kinematics::MoveMap::set_jump(), utility::string_split(), tolerance(), and protocols::simple_moves::TR.

Referenced by parse_my_tag().

void protocols::simple_moves::MinMover::score_function ( ScoreFunctionCOP  scorefxn_in )

virtual

Sets the ScoreFunction to <scorefxn_in> determines which function to minimize.

example(s): minmover.score_function(scorefxn) See also: MinMover MinMover.apply MinMover.movemap ScoreFunction

References runtime_assert, and scorefxn_.

Referenced by protocols::loop_modeling::refiners::MinimizationRefiner::do_apply(), and protocols::enzdes::RemoveLigandFilter::RemoveLigandFilter().

void protocols::simple_moves::MinMover::score_function ( core::scoring::ScoreFunction const &  scorefxn_in )

virtual

References core::scoring::ScoreFunction::clone(), and scorefxn_.

ScoreFunctionCOP protocols::simple_moves::MinMover::score_function ( ) const

virtual

References scorefxn_.

Referenced by protocols::dna::DnaInterfaceMinMover::apply(), protocols::simple_moves::symmetry::SymMinMover::apply(), parse_def_opts(), protocols::dna::DnaInterfaceMinMover::parse_my_tag(), parse_opts(), and show().

void protocols::simple_moves::MinMover::set_movemap ( core::kinematics::MoveMapCOP  movemap_in )

virtual

Implements protocols::moves::MoveMapMover.

References movemap().

void protocols::simple_moves::MinMover::show ( std::ostream &  output = std::cout ) const

virtual

Outputs details about the Mover, including current settings.

Ideally, a child Mover should call Mover.show() and add additional information particular to that Mover.

Reimplemented from protocols::moves::Mover.

References deriv_check(), min_type(), movemap(), nb_list(), score_function(), protocols::moves::Mover::show(), and tolerance().

Referenced by protocols::simple_moves::operator<<().

void protocols::simple_moves::MinMover::tolerance ( Real  tolerance_in )

virtual

References min_options_.

Referenced by protocols::relax::CentroidRelax::apply().

Real protocols::simple_moves::MinMover::tolerance

(

)

const

References min_options_.

Referenced by protocols::dna::DnaInterfaceMinMover::DnaInterfaceMinMover(), parse_def_opts(), protocols::dna::DnaInterfaceMinMover::parse_my_tag(), parse_opts(), and show().

Member Data Documentation

bool protocols::simple_moves::MinMover::cartesian_

private

Referenced by cartesian().

DOF_TaskMap protocols::simple_moves::MinMover::dof_tasks_

private

Until ResidueSubsetOperations are implemented, RosettaScripts uses TaskOperations as a generic way to specify sets of residues, so it is necessary to have a method of controling a movemap from a set of task operations. This is not suppose to be a general interface for MinMover, so only expose it through the parse_my_tag. Another small complication is that TaskOperations must be defined in the context of a pose, so hang on to it here until the apply. In case MinMover is applied multiple times, to avoid accumulating state, reset the move map to before the task operations were applied at the end of apply.

Referenced by apply_dof_tasks_to_movemap(), and parse_dof_task_type().

MinimizerOptionsOP protocols::simple_moves::MinMover::min_options_

private

Referenced by apply(), deriv_check(), max_iter(), min_options(), min_type(), MinMover(), nb_list(), and tolerance().

core::kinematics::MoveMapOP protocols::simple_moves::MinMover::movemap_

private

Referenced by movemap(), parse_chi_and_bb(), parse_def(), parse_def_opts(), parse_my_tag(), and parse_opts().

bool protocols::simple_moves::MinMover::omega_

private

Referenced by apply(), MinMover(), omega(), and parse_chi_and_bb().

ScoreFunctionCOP protocols::simple_moves::MinMover::scorefxn_

private

Referenced by apply(), and score_function().

Real protocols::simple_moves::MinMover::threshold_

private

---

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

• src/protocols/simple_moves/MinMover.hh
• src/protocols/simple_moves/MinMover.cc