core::kinematics::MinimizerMapBase Class Reference

#include <MinimizerMapBase.hh>

Inheritance diagram for core::kinematics::MinimizerMapBase:

Collaboration 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...
virtual	~MinimizerMapBase ()
	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

Detailed Description

Definition at line 52 of file MinimizerMapBase.hh.

Member Typedef Documentation

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

Definition at line 56 of file MinimizerMapBase.hh.

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

Definition at line 57 of file MinimizerMapBase.hh.

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

Definition at line 58 of file MinimizerMapBase.hh.

Constructor & Destructor Documentation

core::kinematics::MinimizerMapBase::MinimizerMapBase

(

)

default ctor; noop

Definition at line 20 of file MinimizerMapBase.cc.

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

virtual

dstor

Definition at line 21 of file MinimizerMapBase.cc.

Member Function Documentation

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

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

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

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

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

pure virtual

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

Referenced by core::scoring::ScoreFunction::reinitialize_minnode_for_residue(), core::scoring::methods::MMLJEnergyIntra::setup_for_minimizing(), core::scoring::methods::MMLJEnergyInter::setup_for_minimizing(), core::scoring::symmetry::SymmetricScoreFunction::setup_for_minimizing(), core::scoring::hackelec::HackElecEnergy::setup_for_minimizing(), core::scoring::etable::BaseEtableEnergy< Derived >::setup_for_minimizing(), core::scoring::ScoreFunction::setup_for_minimizing(), and core::scoring::ScoreFunction::setup_for_minimizing_for_node().

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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