core::kinematics::MinimizerMapBase Class Reference

#include <MinimizerMapBase.hh>

Inheritance diagram for core::kinematics::MinimizerMapBase:

Public Types
typedef id::AtomID	AtomID
typedef id::DOF_ID	DOF_ID
typedef id::DOF_Type	DOF_Type

Public Member Functions
	MinimizerMapBase ()
	default ctor; noop More...
	~MinimizerMapBase () override
	dstor More...
virtual void	add_torsion (DOF_ID const &new_torsion, DOF_ID const &parent)=0
	Allow the AtomTree to communicate to this class that a particular torsion (or angle or distance – a particular DOF) belongs in the minimization task to inform this class the parent DOF for that torsion. More...
virtual void	add_atom (AtomID const &atom_id, DOF_ID const &dof_id)=0
	Allow the AtomTree to inform this class that a particular atom belongs in the derivative calculation for a certain DOF. That certain DOF must have already been included in the minimization process through a prior invocation of the add_torsion method. More...
virtual kinematics::DomainMap const &	domain_map () const =0

Member Typedef Documentation

AtomID

typedef id::AtomID core::kinematics::MinimizerMapBase::AtomID

DOF_ID

typedef id::DOF_ID core::kinematics::MinimizerMapBase::DOF_ID

DOF_Type

typedef id::DOF_Type core::kinematics::MinimizerMapBase::DOF_Type

Constructor & Destructor Documentation

MinimizerMapBase()

core::kinematics::MinimizerMapBase::MinimizerMapBase ( )

default

default ctor; noop

~MinimizerMapBase()

core::kinematics::MinimizerMapBase::~MinimizerMapBase ( )

overridedefault

dstor

Member Function Documentation

add_atom()

virtual void core::kinematics::MinimizerMapBase::add_atom ( AtomID const &  atom_id, DOF_ID const &  dof_id  )

pure virtual

Allow the AtomTree to inform this class that a particular atom belongs in the derivative calculation for a certain DOF. That certain DOF must have already been included in the minimization process through a prior invocation of the add_torsion method.

Implemented in core::optimization::CartesianMinimizerMap, core::pack::scmin::SCMinMinimizerMap, core::pack::scmin::CartSCMinMinimizerMap, core::pack::scmin::AtomTreeSCMinMinimizerMap, core::optimization::symmetry::SymMinimizerMap, and core::optimization::MinimizerMap.

Referenced by core::kinematics::tree::BondedAtom::setup_min_map(), and core::kinematics::tree::JumpAtom::setup_min_map().

add_torsion()

virtual void core::kinematics::MinimizerMapBase::add_torsion ( DOF_ID const &  new_torsion, DOF_ID const &  parent  )

pure virtual

Allow the AtomTree to communicate to this class that a particular torsion (or angle or distance – a particular DOF) belongs in the minimization task to inform this class the parent DOF for that torsion.

Implemented in core::pack::scmin::SCMinMinimizerMap, core::pack::scmin::CartSCMinMinimizerMap, core::pack::scmin::AtomTreeSCMinMinimizerMap, core::optimization::symmetry::SymMinimizerMap, core::optimization::MinimizerMap, and core::optimization::CartesianMinimizerMap.

Referenced by core::kinematics::tree::BondedAtom::setup_min_map(), and core::kinematics::tree::JumpAtom::setup_min_map().

domain_map()

virtual kinematics::DomainMap const& core::kinematics::MinimizerMapBase::domain_map ( ) const

pure virtual

Implemented in core::pack::scmin::SCMinMinimizerMap, core::pack::scmin::CartSCMinMinimizerMap, core::pack::scmin::AtomTreeSCMinMinimizerMap, core::optimization::symmetry::SymMinimizerMap, core::optimization::MinimizerMap, and core::optimization::CartesianMinimizerMap.

Referenced by core::scoring::ScoreFunction::asym_setup_for_minimizing(), core::scoring::create_and_store_atom_tree_minimization_graph_asym(), core::scoring::create_and_store_atom_tree_minimization_graph_symm(), core::scoring::ScoreFunction::reinitialize_minnode_for_residue(), core::energy_methods::FA_GrpElecEnergy::setup_for_minimizing(), core::energy_methods::LK_PolarNonPolarEnergy::setup_for_minimizing(), core::energy_methods::RNA_FA_ElecEnergy::setup_for_minimizing(), core::energy_methods::RNA_FullAtomStackingEnergy::setup_for_minimizing(), core::energy_methods::StackElecEnergy::setup_for_minimizing(), core::scoring::elec::FA_ElecEnergy::setup_for_minimizing(), core::scoring::methods::MMLJEnergyInter::setup_for_minimizing(), core::scoring::ScoreFunction::setup_for_minimizing_for_node(), and core::scoring::ScoreFunction::sym_setup_for_minimizing().

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

• src/core/kinematics/MinimizerMapBase.hh
• src/core/kinematics/MinimizerMapBase.cc