SamplingManager Class Reference

Public Member Functions
	SamplingManager ()
void	setup ()
void	update ()
int	get_iterations ()
	SamplingManager ()
void	update ()
	SamplingManager ()
void	setup ()
void	update ()
int	get_iterations ()

Public Attributes
Size	first_residue
Size	last_residue

Private Attributes
Pose	pose
ClosureMoverOP	closure_mover
BreadthMoverOP	breadth_mover
SidechainMoverOP	sidechain_mover
ScoreFunctionOP	score_function
MonteCarloOP	monte_carlo
string	pdb_path
string	closure_move
string	sampling_move
string	breadth_move
string	score_name
Size	first_index
Size	cut_index
Size	last_index
utility::vector1< Real >	weights
Size	iterations
Real	temperature
pose::Pose	pose
KinematicMoverOP	closure_mover
MoverOP	breadth_mover
string	topology
Real	closure_ratio

Friends
class	OutputManager

Constructor & Destructor Documentation

SamplingManager() [1/3]

SamplingManager::SamplingManager ( )

inline

References autocorrelation::iterations, ObjexxFCL::last_index(), basic::options::OptionKeys::magnesium::monte_carlo, basic::options::OptionKeys::MonteCarlo::MonteCarlo, option, kic_runner::pdb, test.G203_Module_SQLPDB::pdb_path, run_backbone::pivots, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::remodel::rama, basic::options::OptionKeys::dna::specificity::score_function, local::temperature, utility_exit_with_message, and weights().

SamplingManager() [2/3]

SamplingManager::SamplingManager ( )

inline

References create_a3b_hbs::i, autocorrelation::iterations, basic::options::OptionKeys::magnesium::monte_carlo, basic::options::OptionKeys::MonteCarlo::MonteCarlo, option, kic_runner::pdb, test.G203_Module_SQLPDB::pdb_path, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::packing::prevent_repacking, execute::residues, and basic::options::OptionKeys::dna::specificity::score_function.

SamplingManager() [3/3]

SamplingManager::SamplingManager ( )

inline

References autocorrelation::iterations, ObjexxFCL::last_index(), option, kic_runner::pdb, test.G203_Module_SQLPDB::pdb_path, run_backbone::pivots, local::temperature, and utility_exit_with_message.

Member Function Documentation

get_iterations() [1/2]

int SamplingManager::get_iterations ( )

inline

References autocorrelation::iterations.

Referenced by main().

get_iterations() [2/2]

int SamplingManager::get_iterations ( )

inline

References autocorrelation::iterations.

setup() [1/2]

void SamplingManager::setup ( )

inline

References create_a3b_hbs::first, ObjexxFCL::last_index(), and beta_nonlocal::pose.

Referenced by main(), and pyrosetta.distributed.tasks.taskbase.TaskBase::maybe_setup().

setup() [2/2]

void SamplingManager::setup ( )

inline

References SetupMover::apply(), basic::options::OptionKeys::cycles, create_a3b_hbs::first, ObjexxFCL::last_index(), test.G203_Module_SQLPDB::pdb_path, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, and utility_exit_with_message.

Referenced by pyrosetta.distributed.tasks.taskbase.TaskBase::maybe_setup().

update() [1/3]

void SamplingManager::update ( )

inline

References utility::io::oc::cout, basic::options::OptionKeys::magnesium::monte_carlo, beta_nonlocal::pose, basic::options::OptionKeys::rdc::total_weight, numeric::random::uniform(), utility_exit_with_message, and weights().

Referenced by main().

update() [2/3]

void SamplingManager::update ( )

inline

References basic::options::OptionKeys::magnesium::monte_carlo, and beta_nonlocal::pose.

update() [3/3]

void SamplingManager::update ( )

inline

References beta_nonlocal::pose, numeric::random::uniform(), and utility_exit_with_message.

Friends And Related Function Documentation

OutputManager

OutputManager

friend

Member Data Documentation

breadth_move

string SamplingManager::breadth_move

private

breadth_mover [1/2]

BreadthMoverOP SamplingManager::breadth_mover

private

breadth_mover [2/2]

MoverOP SamplingManager::breadth_mover

private

closure_move

string SamplingManager::closure_move

private

closure_mover [1/2]

ClosureMoverOP SamplingManager::closure_mover

private

closure_mover [2/2]

KinematicMoverOP SamplingManager::closure_mover

private

closure_ratio

Real SamplingManager::closure_ratio

private

cut_index

Size SamplingManager::cut_index

private

first_index

Size SamplingManager::first_index

private

first_residue

Size SamplingManager::first_residue

iterations

Size SamplingManager::iterations

private

Referenced by pyrosetta.distributed.utility.log.ProgressLogger::increment(), and main().

last_index

Size SamplingManager::last_index

private

last_residue

Size SamplingManager::last_residue

monte_carlo

MonteCarloOP SamplingManager::monte_carlo

private

pdb_path

string SamplingManager::pdb_path

private

pose [1/2]

Pose SamplingManager::pose

private

Referenced by pyrosetta.bindings.pose.PoseScoreAccessor::__delitem__(), pyrosetta.bindings.pose.PoseResidueAccessor::__getitem__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__getitem__(), pyrosetta.bindings.pose.PoseResidueAccessor::__iadd__(), pyrosetta.bindings.pose.PoseResidueAccessor::__imul__(), pyrosetta.bindings.pose.PoseResidueAccessor::__iter__(), pyrosetta.bindings.pose.PoseResidueAccessor::__len__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__len__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__repr__(), pyrosetta.bindings.pose.PoseResidueAccessor::__reversed__(), pyrosetta.bindings.pose.PoseScoreAccessor::__setitem__(), pyrosetta.bindings.pose.PoseScoreAccessor::all(), pyrosetta.bindings.pose.PoseScoreAccessor::clear(), pyrosetta.bindings.pose.PoseScoreAccessor::energies(), pyrosetta.bindings.pose.PoseScoreAccessor::extra(), and pyrosetta.distributed.packed_pose.core.PackedPose::update_scores().

pose [2/2]

pose::Pose SamplingManager::pose

private

Referenced by pyrosetta.bindings.pose.PoseScoreAccessor::__delitem__(), pyrosetta.bindings.pose.PoseResidueAccessor::__getitem__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__getitem__(), pyrosetta.bindings.pose.PoseResidueAccessor::__iadd__(), pyrosetta.bindings.pose.PoseResidueAccessor::__imul__(), pyrosetta.bindings.pose.PoseResidueAccessor::__iter__(), pyrosetta.bindings.pose.PoseResidueAccessor::__len__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__len__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__repr__(), pyrosetta.bindings.pose.PoseResidueAccessor::__reversed__(), pyrosetta.bindings.pose.PoseScoreAccessor::__setitem__(), pyrosetta.bindings.pose.PoseScoreAccessor::all(), pyrosetta.bindings.pose.PoseScoreAccessor::clear(), pyrosetta.bindings.pose.PoseScoreAccessor::energies(), pyrosetta.bindings.pose.PoseScoreAccessor::extra(), and pyrosetta.distributed.packed_pose.core.PackedPose::update_scores().

sampling_move

string SamplingManager::sampling_move

private

score_function

ScoreFunctionOP SamplingManager::score_function

private

Referenced by pyrosetta.distributed.tasks.score.ScorePoseTask::execute().

score_name

string SamplingManager::score_name

private

sidechain_mover

SidechainMoverOP SamplingManager::sidechain_mover

private

temperature

Real SamplingManager::temperature

private

Referenced by schema.Temperature::__repr__(), and schema.Temperature::formatted().

topology

string SamplingManager::topology

private

weights

utility::vector1<Real> SamplingManager::weights

private

Referenced by pyrosetta.distributed.tasks.score.ScorePoseTask::score_function().

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

• src/apps/pilot/kale/detailed_balance/backbone_tests.cc
• src/apps/pilot/kale/detailed_balance/sidechain_tests.cc
• src/apps/pilot/kale/kic_refactor/ideas/original_app.cc