Rosetta 3.4
Public Types | Public Member Functions
core::kinematics::MinimizerMapBase Class Reference

#include <MinimizerMapBase.hh>

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List of all members.

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
virtual ~MinimizerMapBase ()
 dstor
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.
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.
virtual kinematics::DomainMap
const & 
domain_map () const =0

Member Typedef Documentation


Constructor & Destructor Documentation

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

default ctor; noop

core::kinematics::MinimizerMapBase::~MinimizerMapBase ( ) [virtual]

dstor


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

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

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]

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