Rosetta 3.4
Public Types | Public Member Functions
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>

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List of all members.

Public Types

typedef
core::scoring::ScoreFunctionCOP 
ScoreFunctionCOP
typedef
core::optimization::MinimizerOptionsOP 
MinimizerOptionsOP
typedef
core::optimization::MinimizerOptionsCOP 
MinimizerOptionsCOP
typedef core::Real Real

Public Member Functions

 MinMover ()
 Constructs a MinMover minmover = protocols::simple_moves::MinMover()
 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 protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
virtual protocols::moves::MoverOP fresh_instance () const
 this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).
virtual void parse_my_tag (TagPtr const, protocols::moves::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.
void parse_opts (TagPtr const, protocols::moves::DataMap &, Filters_map const &, protocols::moves::Movers_map const &, Pose const &)
void parse_chi_and_bb (TagPtr const )
virtual MinimizerOptionsOP min_options ()
 allow non-const access to the internal minimizer options object
virtual MinimizerOptionsCOP min_options () const
 allow const access to the internal minimizer options object
virtual void movemap (core::kinematics::MoveMapCOP movemap_in)
 Sets the MoveMap to <movemap_in> determines which DOF to minimize.
virtual
core::kinematics::MoveMapCOP 
movemap ()
virtual void score_function (ScoreFunctionCOP scorefxn_in)
 Sets the ScoreFunction to <scorefxn_in> determines which function to minimize.
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 apply (core::pose::Pose &pose_)
 Minimizes the DOFs of <pose_> specified in the MoveMap using the ScoreFunction.
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
void cartesian (bool newval)
bool cartesian () const

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


Constructor & Destructor Documentation

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

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

Referenced by clone(), and fresh_instance().

protocols::simple_moves::MinMover::MinMover ( std::string const &  name)
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 
)

Member Function Documentation

void protocols::simple_moves::MinMover::apply ( core::pose::Pose pose_) [virtual]
void protocols::simple_moves::MinMover::cartesian ( bool  newval) [inline]
bool protocols::simple_moves::MinMover::cartesian ( ) const [inline]
protocols::moves::MoverOP protocols::simple_moves::MinMover::clone ( ) const [virtual]

clone has to be overridden only if clone invocation is expected.

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

References MinMover().

void protocols::simple_moves::MinMover::deriv_check ( bool  deriv_check_in) [virtual]
protocols::moves::MoverOP protocols::simple_moves::MinMover::fresh_instance ( ) const [virtual]

this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).

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

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

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

MinimizerOptionsOP protocols::simple_moves::MinMover::min_options ( ) [virtual]

allow non-const access to the internal minimizer options object

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

MinimizerOptionsCOP protocols::simple_moves::MinMover::min_options ( ) const [virtual]

allow const access to the internal minimizer options object

void protocols::simple_moves::MinMover::min_type ( std::string  min_type_in) [virtual]
MoveMapCOP protocols::simple_moves::MinMover::movemap ( ) [virtual]
virtual 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

Referenced by protocols::abinitio::FoldConstraints::setup_default_min_move().

void protocols::simple_moves::MinMover::nb_list ( bool  nb_list_in) [virtual]
void protocols::simple_moves::MinMover::parse_chi_and_bb ( TagPtr const  tag)

Referenced by parse_my_tag().

void protocols::simple_moves::MinMover::parse_my_tag ( TagPtr const  tag,
protocols::moves::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::dna::DnaInterfaceMinMover, and protocols::simple_moves::symmetry::SymMinMover.

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

void protocols::simple_moves::MinMover::parse_opts ( TagPtr const  tag,
protocols::moves::DataMap data,
Filters_map const &  ,
protocols::moves::Movers_map const &  ,
Pose const &   
)
void protocols::simple_moves::MinMover::score_function ( core::scoring::ScoreFunction const &  scorefxn_in) [virtual]
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

ScoreFunctionCOP protocols::simple_moves::MinMover::score_function ( ) const [virtual]
void protocols::simple_moves::MinMover::tolerance ( Real  tolerance_in) [virtual]

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