Rosetta 3.4
Public Member Functions | Protected Member Functions
protocols::simple_moves::ShakeStructureMover Class Reference

#include <ShakeStructureMover.hh>

Inheritance diagram for protocols::simple_moves::ShakeStructureMover:
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List of all members.

Public Member Functions

 ShakeStructureMover ()
 ShakeStructureMover (core::scoring::ScoreFunctionOP s)
 ShakeStructureMover (core::scoring::ScoreFunctionOP s, core::Real temperature)
 ShakeStructureMover (core::scoring::ScoreFunctionOP s, core::Real ens_diversity, core::Real ens_div_tolerance)
virtual ~ShakeStructureMover ()
void set_skip_low_temp_phase (bool truefalse)
void set_mc_temperature (core::Real temp)
void set_nrounds (int new_nrounds)
void set_ramp_fa_rep (bool truefalse)
void set_minimize_with_cst (bool truefalse)
void set_scorefunction (core::scoring::ScoreFunction &s)
void set_ensemble_diversity (core::Real ca_rmsd)
void set_rmsd_target_tolerance (core::Real tol)
void set_sc_min (bool truefalse)
core::Real get_mc_temperature ()
bool get_ramp_fa_rep ()
bool get_minimize_with_cst ()
core::scoring::ScoreFunctionOP get_scorefunction ()
core::Real get_ensemble_diversity ()
core::Real get_rmsd_target_tolerance ()
bool get_sc_min ()
core::Real get_harmonic_ca_cst_std_dev ()
core::Real get_ensemble_ca_rmsd ()
bool get_skip_low_temp_phase ()
bool get_min_cst ()
bool get_testing_phase ()
bool get_scorefunction_initialized ()
core::scoring::ScoreFunctionOP get_min_scorefunction ()
core::Size get_nrounds ()
void apply (core::pose::Pose &p)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.

Protected Member Functions

void set_testing_phase (bool truefalse)
void set_mc_temp (core::Real temperature)
void set_is_properly_initialized (bool truefalse)
void set_min_scorefunction (core::scoring::ScoreFunctionOP scfxn)
core::scoring::ScoreFunction reduce_fa_rep (float fraction_fa_rep, core::scoring::ScoreFunction &s)
virtual void setup_for_run (core::pose::Pose &p)
virtual void minimize_with_constraints (core::pose::Pose &p, core::scoring::ScoreFunction &s)
virtual void setup_ca_constraints (core::pose::Pose &pose, core::scoring::ScoreFunction &s, float const CA_cutoff, float const cst_tol)
virtual void run_mc (core::pose::Pose &p, core::scoring::ScoreFunction &s, core::Real temperature)
core::Real set_temp_based_on_ens_diversity (core::pose::Pose &p, core::scoring::ScoreFunction &s)
void setup_movers (protocols::simple_moves::SmallMoverOP gsmall, protocols::simple_moves::ShearMoverOP gshear, core::Real small_H_angle_max, core::Real small_E_angle_max, core::Real small_L_angle_max, core::Real shear_H_angle_max, core::Real shear_E_angle_max, core::Real shear_L_angle_max)
void create_ensemble (core::pose::Pose &p, core::scoring::ScoreFunction &s)

Constructor & Destructor Documentation

protocols::simple_moves::ShakeStructureMover::ShakeStructureMover ( )
protocols::simple_moves::ShakeStructureMover::ShakeStructureMover ( core::scoring::ScoreFunctionOP  s)
protocols::simple_moves::ShakeStructureMover::ShakeStructureMover ( core::scoring::ScoreFunctionOP  s,
core::Real  temperature 
)
protocols::simple_moves::ShakeStructureMover::ShakeStructureMover ( core::scoring::ScoreFunctionOP  s,
core::Real  ens_diversity,
core::Real  ens_div_tolerance 
)
protocols::simple_moves::ShakeStructureMover::~ShakeStructureMover ( ) [virtual]

Member Function Documentation

void protocols::simple_moves::ShakeStructureMover::apply ( core::pose::Pose p) [virtual]
void protocols::simple_moves::ShakeStructureMover::create_ensemble ( core::pose::Pose p,
core::scoring::ScoreFunction s 
) [protected]

References run_mc().

Referenced by apply().

core::Real protocols::simple_moves::ShakeStructureMover::get_ensemble_ca_rmsd ( )
core::Real protocols::simple_moves::ShakeStructureMover::get_ensemble_diversity ( )
core::Real protocols::simple_moves::ShakeStructureMover::get_harmonic_ca_cst_std_dev ( )
core::Real protocols::simple_moves::ShakeStructureMover::get_mc_temperature ( )
bool protocols::simple_moves::ShakeStructureMover::get_min_cst ( )
core::scoring::ScoreFunctionOP protocols::simple_moves::ShakeStructureMover::get_min_scorefunction ( )
bool protocols::simple_moves::ShakeStructureMover::get_minimize_with_cst ( )
std::string protocols::simple_moves::ShakeStructureMover::get_name ( ) const [virtual]

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

Implements protocols::moves::Mover.

Reimplemented in protocols::simple_moves::symmetry::SymShakeStructureMover.

core::Size protocols::simple_moves::ShakeStructureMover::get_nrounds ( )
bool protocols::simple_moves::ShakeStructureMover::get_ramp_fa_rep ( )
core::Real protocols::simple_moves::ShakeStructureMover::get_rmsd_target_tolerance ( )
bool protocols::simple_moves::ShakeStructureMover::get_sc_min ( )
core::scoring::ScoreFunctionOP protocols::simple_moves::ShakeStructureMover::get_scorefunction ( )
bool protocols::simple_moves::ShakeStructureMover::get_scorefunction_initialized ( )
bool protocols::simple_moves::ShakeStructureMover::get_skip_low_temp_phase ( )
bool protocols::simple_moves::ShakeStructureMover::get_testing_phase ( )
void protocols::simple_moves::ShakeStructureMover::minimize_with_constraints ( core::pose::Pose p,
core::scoring::ScoreFunction s 
) [protected, virtual]
core::scoring::ScoreFunction protocols::simple_moves::ShakeStructureMover::reduce_fa_rep ( float  fraction_fa_rep,
core::scoring::ScoreFunction s 
) [protected]
void protocols::simple_moves::ShakeStructureMover::run_mc ( core::pose::Pose p,
core::scoring::ScoreFunction s,
core::Real  temperature 
) [protected, virtual]
void protocols::simple_moves::ShakeStructureMover::set_ensemble_diversity ( core::Real  ca_rmsd)
void protocols::simple_moves::ShakeStructureMover::set_is_properly_initialized ( bool  truefalse) [protected]
void protocols::simple_moves::ShakeStructureMover::set_mc_temp ( core::Real  temperature) [protected]
void protocols::simple_moves::ShakeStructureMover::set_mc_temperature ( core::Real  temp)
void protocols::simple_moves::ShakeStructureMover::set_min_scorefunction ( core::scoring::ScoreFunctionOP  scfxn) [protected]
void protocols::simple_moves::ShakeStructureMover::set_minimize_with_cst ( bool  truefalse)
void protocols::simple_moves::ShakeStructureMover::set_nrounds ( int  new_nrounds)
void protocols::simple_moves::ShakeStructureMover::set_ramp_fa_rep ( bool  truefalse)
void protocols::simple_moves::ShakeStructureMover::set_rmsd_target_tolerance ( core::Real  tol)
void protocols::simple_moves::ShakeStructureMover::set_sc_min ( bool  truefalse)
void protocols::simple_moves::ShakeStructureMover::set_scorefunction ( core::scoring::ScoreFunction s)
void protocols::simple_moves::ShakeStructureMover::set_skip_low_temp_phase ( bool  truefalse)
core::Real protocols::simple_moves::ShakeStructureMover::set_temp_based_on_ens_diversity ( core::pose::Pose p,
core::scoring::ScoreFunction s 
) [protected]
void protocols::simple_moves::ShakeStructureMover::set_testing_phase ( bool  truefalse) [protected]
void protocols::simple_moves::ShakeStructureMover::setup_ca_constraints ( core::pose::Pose pose,
core::scoring::ScoreFunction s,
float const  CA_cutoff,
float const  cst_tol 
) [protected, virtual]
void protocols::simple_moves::ShakeStructureMover::setup_for_run ( core::pose::Pose p) [protected, virtual]
void protocols::simple_moves::ShakeStructureMover::setup_movers ( protocols::simple_moves::SmallMoverOP  gsmall,
protocols::simple_moves::ShearMoverOP  gshear,
core::Real  small_H_angle_max,
core::Real  small_E_angle_max,
core::Real  small_L_angle_max,
core::Real  shear_H_angle_max,
core::Real  shear_E_angle_max,
core::Real  shear_L_angle_max 
) [protected]

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