core::id::DOF_ID Class Reference

Kinematics DOF identifier class. More...

#include <DOF_ID.hh>

Public Member Functions
constexpr	DOF_ID ()
	DOF_ID (AtomID const &atom_id_in, DOF_Type const &type_in)
AtomID const &	atom_id () const
Size	rsd () const
Size	atomno () const
DOF_Type	type () const
bool	valid () const
	Is this DOF_ID valid? More...

Static Public Member Functions
static constexpr DOF_ID	BOGUS_DOF_ID ()

Private Attributes
AtomID	atom_id_
	Atom identifier. More...
DOF_Type	type_
	DOF type. More...

Friends
std::ostream &	operator<< (std::ostream &os, DOF_ID const &a)
	stream << DOF_ID More...
bool	operator== (DOF_ID const &a, DOF_ID const &b)
bool	operator!= (DOF_ID const &a, DOF_ID const &b)
bool	operator< (DOF_ID const &a, DOF_ID const &b)

Detailed Description

Kinematics DOF identifier class.

Constructor & Destructor Documentation

DOF_ID() [1/2]

constexpr core::id::DOF_ID::DOF_ID ( )

inlineconstexpr

Referenced by BOGUS_DOF_ID().

DOF_ID() [2/2]

core::id::DOF_ID::DOF_ID ( AtomID const &  atom_id_in, DOF_Type const &  type_in  )

inline

Member Function Documentation

atom_id()

AtomID const& core::id::DOF_ID::atom_id ( ) const

inline

References atom_id_.

Referenced by protocols::environment::EnvMover::apply(), protocols::ligand_docking::ga_ligand_dock::GridScorer::dof_derivative(), core::scoring::ScoreFunction::eval_dof_derivative(), protocols::environment::EXCN_Env_Security_Exception::EXCN_Env_Security_Exception(), and core::pose::Pose::has_dof().

atomno()

Size core::id::DOF_ID::atomno ( ) const

inline

References atom_id_, and core::id::AtomID::atomno().

Referenced by core::pack::scmin::AtomTreeSCMinMinimizerMap::add_atom(), core::pack::scmin::AtomTreeSCMinMinimizerMap::add_torsion(), core::optimization::symmetry::SymMinimizerMap::asymmetric_dof(), core::pose::Pose::has_dof(), core::optimization::numerical_derivative_check(), core::optimization::symmetry::numerical_derivative_check(), core::kinematics::MoveMap::show(), core::pack::scmin::AtomTreeSCMinMinimizerMap::tor_for_dof(), and core::pack::scmin::CartSCMinMinimizerMap::tor_for_dof().

BOGUS_DOF_ID()

static constexpr DOF_ID core::id::DOF_ID::BOGUS_DOF_ID ( )

inlinestaticconstexpr

References DOF_ID().

Referenced by core::optimization::symmetry::SymMinimizerMap::add_torsion(), protocols::environment::EnvMover::apply(), core::kinematics::AtomTree::bond_angle_dof_id(), protocols::stepwise::sampler::rna::RNA_KinematicCloser::figure_out_offset(), protocols::stepwise::legacy::modeler::rna::RNA_AnalyticLoopCloser::figure_out_offset(), protocols::rna::denovo::coarse::CoarseRNA_LoopCloser::figure_out_offset(), protocols::rna::denovo::coarse::CoarseRNA_LoopCloser::fill_solution(), core::optimization::CartesianMinimizerMap::setup(), core::optimization::MinimizerMap::setup(), core::optimization::symmetry::SymMinimizerMap::SymMinimizerMap(), and core::conformation::Conformation::torsion_angle().

rsd()

Size core::id::DOF_ID::rsd ( ) const

inline

References atom_id_, and core::id::AtomID::rsd().

Referenced by core::optimization::symmetry::SymMinimizerMap::asymmetric_dof(), core::optimization::symmetry::atom_tree_get_atompairE_deriv(), protocols::stepwise::sampler::StepWiseSamplerOneDOF::get_name(), core::pose::Pose::has_dof(), core::optimization::numerical_derivative_check(), core::optimization::symmetry::numerical_derivative_check(), core::kinematics::MoveMap::show(), core::pack::scmin::AtomTreeSCMinMinimizerMap::tor_for_dof(), and core::pack::scmin::CartSCMinMinimizerMap::tor_for_dof().

type()

DOF_Type core::id::DOF_ID::type ( ) const

inline

References type_.

Referenced by core::pack::scmin::AtomTreeSCMinMinimizerMap::add_atom(), core::optimization::CartesianMinimizerMap::add_torsion(), core::optimization::symmetry::SymMinimizerMap::add_torsion(), core::pack::scmin::AtomTreeSCMinMinimizerMap::add_torsion(), core::optimization::symmetry::SymMinimizerMap::asymmetric_dof(), protocols::stepwise::sampler::StepWiseSamplerOneDOF::get_name(), core::pose::Pose::has_dof(), core::optimization::numerical_derivative_check(), core::optimization::symmetry::numerical_derivative_check(), protocols::environment::ProtectedConformation::replace_residue_sandbox(), protocols::stepwise::sampler::StepWiseSamplerOneDOF::set_atom_id(), core::kinematics::MoveMap::show(), core::pack::scmin::AtomTreeSCMinMinimizerMap::tor_for_dof(), and core::pack::scmin::CartSCMinMinimizerMap::tor_for_dof().

valid()

bool core::id::DOF_ID::valid ( ) const

inline

Is this DOF_ID valid?

Note

Must return false for BOGUS_TORSION_ID.

References atom_id_, and core::id::AtomID::valid().

Referenced by core::optimization::MinimizerMap::add_atom(), core::optimization::symmetry::SymMinimizerMap::add_atom(), core::pack::scmin::AtomTreeSCMinMinimizerMap::add_atom(), core::optimization::MinimizerMap::add_torsion(), protocols::simple_moves::TorsionDOFMover::apply(), core::kinematics::AtomTree::bond_angle(), core::kinematics::AtomTree::bond_length(), protocols::simple_moves::SmallMover::dof_id_ranges(), protocols::simple_moves::ShearMover::dof_id_ranges(), protocols::simple_moves::sidechain_moves::SidechainMover::dof_id_ranges(), protocols::simple_moves::sidechain_moves::SidechainMoverBase::dof_id_ranges(), protocols::environment::claims::TorsionClaim::insert_dof_element(), core::environment::DofPassport::render_movemap(), core::conformation::Conformation::set_bond_angle(), core::kinematics::AtomTree::set_bond_angle(), core::conformation::Conformation::set_bond_length(), core::kinematics::AtomTree::set_bond_length(), core::conformation::Conformation::set_torsion(), core::conformation::Conformation::set_torsion_angle(), protocols::environment::EnvClaimBroker::setup_passports(), and protocols::environment::ProtectedConformation::verify().

Friends And Related Function Documentation

operator!=

bool operator!= ( DOF_ID const &  a, DOF_ID const &  b  )

friend

operator<

bool operator< ( DOF_ID const &  a, DOF_ID const &  b  )

friend

operator<<

std::ostream& operator<< ( std::ostream &  os, DOF_ID const &  a  )

friend

stream << DOF_ID

operator==

bool operator== ( DOF_ID const &  a, DOF_ID const &  b  )

friend

Member Data Documentation

atom_id_

AtomID core::id::DOF_ID::atom_id_

private

Atom identifier.

Referenced by atom_id(), atomno(), rsd(), and valid().

type_

DOF_Type core::id::DOF_ID::type_

private

DOF type.

Referenced by type().

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

• src/core/id/DOF_ID.hh