core::optimization::symmetry::SymAtomTreeMinimizer Class Reference

High-level atom tree minimizer class. More...

#include <SymAtomTreeMinimizer.hh>

Inheritance diagram for core::optimization::symmetry::SymAtomTreeMinimizer:

Public Types
typedef conformation::symmetry::SymmetricConformation	SymmetricConformation
typedef conformation::symmetry::SymmetryInfo	SymmetryInfoOP

Public Member Functions
	SymAtomTreeMinimizer ()
Real	run (pose::Pose &pose, kinematics::MoveMap const &move_map, scoring::ScoreFunction const &scorefxn, MinimizerOptions const &options) override
	Override the base class implementation. Non-const. More...
Public Member Functions inherited from core::optimization::AtomTreeMinimizer
	AtomTreeMinimizer ()
	~AtomTreeMinimizer () override
NumericalDerivCheckResultOP	deriv_check_result () const
	After minimization has concluded, the user may access the deriv-check result, assuming that they have run the AtomTreeMinimizer with deriv_check = true;. More...
void	check_setup (pose::Pose const &pose, kinematics::MoveMap const &move_map, scoring::ScoreFunction const &scorefxn, MinimizerOptions const &options) const
	Do consistency checks for minimizer setup. More...

Static Public Member Functions
static void	make_asymmetric_movemap (pose::Pose &pose, kinematics::MoveMap const &move_map_sym, kinematics::MoveMap &move_map_asym)
static void	make_semisymmetric_movemap (pose::Pose &pose, kinematics::MoveMap const &move_map_sym, kinematics::MoveMap &move_map_semisym)

Detailed Description

High-level atom tree minimizer class.

Member Typedef Documentation

SymmetricConformation

typedef conformation::symmetry::SymmetricConformation core::optimization::symmetry::SymAtomTreeMinimizer::SymmetricConformation

SymmetryInfoOP

typedef conformation::symmetry::SymmetryInfo core::optimization::symmetry::SymAtomTreeMinimizer::SymmetryInfoOP

Constructor & Destructor Documentation

SymAtomTreeMinimizer()

core::optimization::symmetry::SymAtomTreeMinimizer::SymAtomTreeMinimizer ( )

inline

Member Function Documentation

make_asymmetric_movemap()

void core::optimization::symmetry::SymAtomTreeMinimizer::make_asymmetric_movemap ( pose::Pose &  pose, kinematics::MoveMap const &  move_map_sym, kinematics::MoveMap &  move_map_asym  )

static

References core::pose::Pose::conformation(), core::kinematics::MoveMap::dof_id_begin(), core::kinematics::MoveMap::dof_id_end(), core::kinematics::MoveMap::dof_type_begin(), core::kinematics::FoldTree::downstream_jump_residue(), core::pose::Pose::fold_tree(), core::kinematics::FoldTree::get_jump_that_builds_residue(), core::conformation::symmetry::is_symmetric(), core::id::JUMP, core::kinematics::MoveMap::jump_id_begin(), core::kinematics::MoveMap::jump_id_end(), core::kinematics::FoldTree::jump_nr(), core::kinematics::MoveMap::movemap_torsion_id_begin(), core::kinematics::MoveMap::movemap_torsion_id_end(), core::id::RB1, core::id::RB6, core::id::TorsionID::rsd(), core::kinematics::MoveMap::set(), core::kinematics::MoveMap::set_jump(), core::kinematics::MoveMap::torsion_id_begin(), core::kinematics::MoveMap::torsion_id_end(), core::kinematics::MoveMap::torsion_type_begin(), core::kinematics::MoveMap::torsion_type_end(), and core::kinematics::FoldTree::upstream_jump_residue().

Referenced by core::util::getMLweight().

make_semisymmetric_movemap()

void core::optimization::symmetry::SymAtomTreeMinimizer::make_semisymmetric_movemap ( pose::Pose &  pose, kinematics::MoveMap const &  move_map_sym, kinematics::MoveMap &  move_map_semisym  )

static

References core::pose::Pose::conformation(), core::conformation::Conformation::dof_id_from_torsion_id(), core::kinematics::MoveMap::get(), core::conformation::symmetry::is_symmetric(), core::id::JUMP, and core::kinematics::MoveMap::set().

Referenced by core::util::getMLweight().

run()

Real core::optimization::symmetry::SymAtomTreeMinimizer::run ( pose::Pose &  pose, kinematics::MoveMap const &  move_map, scoring::ScoreFunction const &  scorefxn, MinimizerOptions const &  options  )

overridevirtual

Override the base class implementation. Non-const.

Reimplemented from core::optimization::AtomTreeMinimizer.

References core::pose::Pose::conformation(), core::optimization::symmetry::SymMinimizerMap::copy_dofs_from_pose(), core::optimization::MinimizerOptions::deriv_check(), core::optimization::MinimizerOptions::deriv_check_verbose(), core::optimization::symmetry::SymMinimizerMap::domain_map(), core::pose::Pose::energies(), core::chemical::element::F, core::scoring::ScoreFunction::finalize_after_minimizing(), core::conformation::symmetry::is_symmetric(), core::optimization::symmetry::SymMinimizerMap::nangles(), core::optimization::MinimizerOptions::nblist_auto_update(), core::optimization::symmetry::SymMinimizerMap::reset_jump_rb_deltas(), core::scoring::Energies::reset_nblist(), core::optimization::Minimizer::run(), core::scoring::Energies::set_use_nblist(), core::scoring::ScoreFunction::setup_for_minimizing(), core::optimization::symmetry::TR(), and core::optimization::MinimizerOptions::use_nblist().

Referenced by protocols::hybridization::FoldTreeHybridize::apply(), protocols::relax::loop::LoopRelaxMover::apply(), protocols::symmetry::SymShakeStructureMover::minimize_with_constraints(), core::util::rebuild_disulfide(), protocols::topology_broker::TopologyBroker::switch_to_fullatom(), and protocols::protein_interface_design::SymMinimizeInterface().

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

• src/core/optimization/symmetry/SymAtomTreeMinimizer.hh
• src/core/optimization/symmetry/SymAtomTreeMinimizer.cc