core::optimization::CartesianMinimizer Class Reference

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

#include <CartesianMinimizer.hh>

Inheritance diagram for core::optimization::CartesianMinimizer:

Public Member Functions
	CartesianMinimizer ()
	~CartesianMinimizer () override
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 CartesianMinimizers. Non-const so that it can modify its deriv_check_result_ object. More...
NumericalDerivCheckResultOP	deriv_check_result () const
	After minimization has concluded, the user may access the deriv-check result, assuming that they have run the CartesianMinimizer with deriv_check = true;. More...

Private Attributes
NumericalDerivCheckResultOP	deriv_check_result_

Detailed Description

High-level atom tree minimizer class.

Constructor & Destructor Documentation

CartesianMinimizer()

core::optimization::CartesianMinimizer::CartesianMinimizer ( )

default

~CartesianMinimizer()

core::optimization::CartesianMinimizer::~CartesianMinimizer ( )

overridedefault

Member Function Documentation

deriv_check_result()

NumericalDerivCheckResultOP core::optimization::CartesianMinimizer::deriv_check_result

(

)

const

After minimization has concluded, the user may access the deriv-check result, assuming that they have run the CartesianMinimizer with deriv_check = true;.

run()

Real core::optimization::CartesianMinimizer::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 CartesianMinimizers. Non-const so that it can modify its deriv_check_result_ object.

References core::optimization::activate_dof_deriv_terms_for_cart_min(), core::optimization::CartesianMinimizerMap::copy_dofs_from_pose(), core::optimization::MinimizerOptions::deriv_check(), core::optimization::MinimizerOptions::deriv_check_to_stdout(), core::optimization::MinimizerOptions::deriv_check_verbose(), core::optimization::CartesianMinimizerMap::domain_map(), core::pose::Pose::energies(), core::chemical::element::F, core::scoring::ScoreFunction::finalize_after_minimizing(), core::conformation::symmetry::is_symmetric(), core::optimization::MinimizerOptions::min_type(), core::optimization::MinimizerOptions::nblist_auto_update(), core::optimization::CartesianMinimizerMap::ndofs(), core::scoring::ScoreFunction::ready_for_nonideal_scoring(), core::scoring::Energies::reset_nblist(), core::optimization::Minimizer::run(), core::optimization::CartesianMultifunc::set_deriv_check_result(), core::scoring::Energies::set_use_nblist(), core::optimization::CartesianMinimizerMap::setup(), core::scoring::ScoreFunction::setup_for_minimizing(), core::optimization::TR(), and core::optimization::MinimizerOptions::use_nblist().

Referenced by protocols::hybridization::CartesianHybridize::apply(), protocols::hybridization::CartesianSampler::apply(), protocols::minimization_packing::SaneMinMover::apply(), protocols::rna::denovo::movers::RNA_Minimizer::apply(), protocols::seeded_abinitio::SegmentHybridizer::apply(), protocols::stepwise::legacy::modeler::protein::StepWiseProteinMinimizer::apply(), protocols::hybridization::HybridizeProtocol::apply(), protocols::normalmode::NormalModeRelaxMover::apply_on_pose(), protocols::ligand_docking::ga_ligand_dock::constraint_relax(), protocols::md::CartesianMD::do_minimize(), protocols::ligand_docking::ga_ligand_dock::GALigandDock::final_cartligmin(), protocols::minimization_packing::MinMover::inner_run_minimizer(), protocols::minimization_packing::PertMinMover::min(), protocols::pose_length_moves::PossibleLoop::minimize_loop(), protocols::pose_creation::MergePDBatOverlapMover::minimize_overlap(), protocols::relax::LocalRelax::optimization_loop(), protocols::ligand_docking::ga_ligand_dock::GALigandDock::premin_ligand(), protocols::rna::movers::ErraserMinimizerMover::process_entire_pose(), protocols::mpi_refinement::ramp_minpack_loop(), protocols::mpi_refinement::WorkUnit_Sampler::ramp_minpack_loop2(), protocols::rbsegment_relax::ConfChangeMover::stage1(), and protocols::rbsegment_relax::ConfChangeMover::stage2().

Member Data Documentation

deriv_check_result_

NumericalDerivCheckResultOP core::optimization::CartesianMinimizer::deriv_check_result_

private

---

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

• src/core/optimization/CartesianMinimizer.hh
• src/core/optimization/CartesianMinimizer.cc