Rosetta 3.4
Public Types | Public Member Functions | Static Public Member Functions
protocols::relax::ClassicRelax Class Reference

A functor class which implements the classic Rosetta++ pose_relax protocol. More...

#include <ClassicRelax.hh>

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List of all members.

Public Types

typedef RelaxProtocolBase parent

Public Member Functions

 ClassicRelax (core::scoring::ScoreFunctionOP scorefxn_in)
 ClassicRelax (core::scoring::ScoreFunctionOP scorefxn_in, core::kinematics::MoveMapOP movemap)
 constructor taking both ScoreFunction and MoveMap
 ClassicRelax (ClassicRelax const &)
 ClassicRelax ()
virtual ~ClassicRelax ()
protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
void set_default (core::scoring::ScoreFunctionOP scorefxn_in)
virtual void apply (core::pose::Pose &pose)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
void set_default (bool const use_default_movemap=true)
void set_default_minimizer ()
void set_default_moveset_phase1 ()
void set_default_moveset_phase2 ()
void set_default_moveset_phase3 ()
void set_lj_ramp_cycles (int param)
void set_lj_ramp_inner_cycles (int param)
void set_start_rep_weight (core::Real param)
void set_stage2_cycles (int cycles2)
void set_stage2_repack_period (int repack2)
void set_stage3_cycles (int cycles3)
void set_tolerance (core::Real new_tolerance)
void set_mc (moves::MonteCarloOP new_mc_)
void set_full_repack (protocols::simple_moves::PackRotamersMoverOP new_pack_full_repack)
void set_rottrial (protocols::simple_moves::RotamerTrialsMoverOP new_pack_rottrial)
void setPoseExtraScores (core::pose::Pose &pose)
void use_coarse_vdw ()
moves::MonteCarloOP get_mc (core::pose::Pose &pose)
protocols::checkpoint::CheckPointerget_checkpoints ()

Static Public Member Functions

static void register_options ()

Detailed Description

A functor class which implements the classic Rosetta++ pose_relax protocol.

A functor class which implements the classic Rosetta++ pose_relax protocol

Todo:
Crank and Wobble Moves - however there's little evidence that they are essential

Member Typedef Documentation


Constructor & Destructor Documentation

protocols::relax::ClassicRelax::ClassicRelax ( core::scoring::ScoreFunctionOP  scorefxn_in)

References set_default().

protocols::relax::ClassicRelax::ClassicRelax ( core::scoring::ScoreFunctionOP  scorefxn_in,
core::kinematics::MoveMapOP  movemap 
)

constructor taking both ScoreFunction and MoveMap

References set_default(), and protocols::relax::RelaxProtocolBase::set_movemap().

protocols::relax::ClassicRelax::ClassicRelax ( ClassicRelax const &  other)
protocols::relax::ClassicRelax::ClassicRelax ( )

References set_default().

Referenced by clone().

protocols::relax::ClassicRelax::~ClassicRelax ( ) [virtual]

Member Function Documentation

void protocols::relax::ClassicRelax::apply ( core::pose::Pose pose) [virtual]
protocols::moves::MoverOP protocols::relax::ClassicRelax::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.

References ClassicRelax().

protocols::checkpoint::CheckPointer& protocols::relax::ClassicRelax::get_checkpoints ( ) [inline]
moves::MonteCarloOP protocols::relax::ClassicRelax::get_mc ( core::pose::Pose pose)

Accessors

std::string protocols::relax::ClassicRelax::get_name ( ) const [virtual]

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

Implements protocols::moves::Mover.

void protocols::relax::ClassicRelax::register_options ( ) [static]

registering of options that are relevant for AbrelaxApplication

Reimplemented from protocols::relax::RelaxProtocolBase.

void protocols::relax::ClassicRelax::set_default ( core::scoring::ScoreFunctionOP  scorefxn_in)
void protocols::relax::ClassicRelax::set_default ( bool const  use_default_movemap = true)
void protocols::relax::ClassicRelax::set_default_minimizer ( )
void protocols::relax::ClassicRelax::set_default_moveset_phase1 ( )

At stage 1 we're only doing small and shear moves

References protocols::relax::RelaxProtocolBase::get_movemap().

Referenced by set_default().

void protocols::relax::ClassicRelax::set_default_moveset_phase2 ( )

At stage 2 we're doing small, shear, wobble and crank moves (the latter two are works in progress)

References protocols::relax::RelaxProtocolBase::get_movemap().

Referenced by set_default().

void protocols::relax::ClassicRelax::set_default_moveset_phase3 ( )

At stage 3 we're only doing small and shear moves

References protocols::relax::RelaxProtocolBase::get_movemap().

Referenced by set_default().

void protocols::relax::ClassicRelax::set_full_repack ( protocols::simple_moves::PackRotamersMoverOP  new_pack_full_repack)
void protocols::relax::ClassicRelax::set_lj_ramp_cycles ( int  param) [inline]

Set options from outside

void protocols::relax::ClassicRelax::set_lj_ramp_inner_cycles ( int  param) [inline]
void protocols::relax::ClassicRelax::set_mc ( moves::MonteCarloOP  new_mc_)
void protocols::relax::ClassicRelax::set_rottrial ( protocols::simple_moves::RotamerTrialsMoverOP  new_pack_rottrial)
void protocols::relax::ClassicRelax::set_stage2_cycles ( int  cycles2) [inline]
void protocols::relax::ClassicRelax::set_stage2_repack_period ( int  repack2) [inline]
void protocols::relax::ClassicRelax::set_stage3_cycles ( int  cycles3) [inline]
void protocols::relax::ClassicRelax::set_start_rep_weight ( core::Real  param) [inline]
void protocols::relax::ClassicRelax::set_tolerance ( core::Real  new_tolerance)
void protocols::relax::ClassicRelax::setPoseExtraScores ( core::pose::Pose pose)
void protocols::relax::ClassicRelax::use_coarse_vdw ( ) [inline]

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