Rosetta 3.4
Public Member Functions
core::optimization::AtomTreeMinimizer Class Reference

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

#include <AtomTreeMinimizer.hh>

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List of all members.

Public Member Functions

 AtomTreeMinimizer ()
virtual ~AtomTreeMinimizer ()
virtual Real run (pose::Pose &pose, kinematics::MoveMap const &move_map, scoring::ScoreFunction const &scorefxn, MinimizerOptions const &options)
 run minimization and return the final score at minimization's conclusion. Virtual allowing derived classes to mascarade as AtomTreeMinimizers. Non-const so that it can modify its deriv_check_result_ object.
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;.

Detailed Description

High-level atom tree minimizer class.


Constructor & Destructor Documentation

core::optimization::AtomTreeMinimizer::AtomTreeMinimizer ( )
core::optimization::AtomTreeMinimizer::~AtomTreeMinimizer ( ) [virtual]

Member Function Documentation

NumericalDerivCheckResultOP core::optimization::AtomTreeMinimizer::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;.

Real core::optimization::AtomTreeMinimizer::run ( pose::Pose pose,
kinematics::MoveMap const &  move_map,
scoring::ScoreFunction const &  scorefxn,
MinimizerOptions const &  options 
) [virtual]

run minimization and return the final score at minimization's conclusion. Virtual allowing derived classes to mascarade as AtomTreeMinimizers. Non-const so that it can modify its deriv_check_result_ object.

Reimplemented in core::optimization::symmetry::SymAtomTreeMinimizer.

References core::optimization::MinimizerMap::copy_dofs_from_pose(), core::optimization::MinimizerOptions::deriv_check(), core::optimization::MinimizerOptions::deriv_check_to_stdout(), core::optimization::MinimizerOptions::deriv_check_verbose(), core::optimization::MinimizerMap::domain_map(), core::pose::Pose::energies(), make_table_of_pilot_apps::f, core::pose::symmetry::is_symmetric(), core::optimization::MinimizerMap::nangles(), core::optimization::MinimizerOptions::nblist_auto_update(), core::optimization::MinimizerMap::reset_jump_rb_deltas(), core::scoring::Energies::reset_nblist(), core::optimization::Minimizer::run(), core::optimization::NumericalDerivCheckResult::send_to_stdout(), core::scoring::Energies::set_use_nblist(), core::optimization::MinimizerMap::setup(), core::scoring::ScoreFunction::setup_for_minimizing(), and core::optimization::MinimizerOptions::use_nblist().

Referenced by protocols::simple_moves::SaneMinMover::apply(), protocols::simple_moves::ProlineFixMover::apply(), protocols::simple_filters::SAXSScoreFilter::apply(), protocols::comparative_modeling::LoopRelaxMover::apply(), protocols::abinitio::ResolutionSwitcher::apply(), protocols::swa::rna::floating_base_chain_closure_setup(), protocols::loophash::LoopHashLibrary::graft_loop(), protocols::simple_moves::ShakeStructureMover::minimize_with_constraints(), core::util::rebuild_disulfide(), and protocols::topology_broker::TopologyBroker::switch_to_fullatom().


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