Rosetta 3.4
Public Member Functions
core::scoring::constraints::NamedAtomPairConstraint Class Reference

#include <NamedAtomPairConstraint.hh>

Inheritance diagram for core::scoring::constraints::NamedAtomPairConstraint:
Inheritance graph
[legend]
Collaboration diagram for core::scoring::constraints::NamedAtomPairConstraint:
Collaboration graph
[legend]

List of all members.

Public Member Functions

 NamedAtomPairConstraint (id::NamedAtomID const &a1, id::NamedAtomID const &a2, FuncOP func, ScoreType scoretype=atom_pair_constraint)
virtual ConstraintOP clone () const
 Copies the data from this Constraint into a new object and returns an OP to the new object. Intended to be implemented by derived classes and used by pose.add_constraint.
virtual ConstraintOP remapped_clone (pose::Pose const &src, pose::Pose const &dest, id::SequenceMappingCOP map=NULL) const
 Copies the data from this Constraint into a new object and returns an OP atoms are mapped to atoms with the same name in dest pose ( e.g. for switch from centroid to fullatom ) if a sequence_mapping is present it is used to map residue numbers .. NULL = identity mapping to the new object. Intended to be implemented by derived classes.
virtual void setup_for_scoring (XYZ_Func const &, ScoreFunction const &) const
virtual void show_def (std::ostream &out, pose::Pose const &pose) const
 Prints the definition of a Constraint to the given std::ostream, using the given Pose, and the given FuncFactory. This method is intended to be overridden by derived classes if they'd like to use the ConstraintIO machinery. It's also not clear why this method takes a Pose, other than to be symmetric with read_def.
void show_def_nopose (std::ostream &out) const
virtual void read_def (std::istream &in, pose::Pose const &pose, FuncFactory const &func_factory)

Constructor & Destructor Documentation

core::scoring::constraints::NamedAtomPairConstraint::NamedAtomPairConstraint ( id::NamedAtomID const &  a1,
id::NamedAtomID const &  a2,
FuncOP  func,
ScoreType  scoretype = atom_pair_constraint 
) [inline]

Referenced by clone(), and remapped_clone().


Member Function Documentation

virtual ConstraintOP core::scoring::constraints::NamedAtomPairConstraint::clone ( ) const [inline, virtual]

Copies the data from this Constraint into a new object and returns an OP to the new object. Intended to be implemented by derived classes and used by pose.add_constraint.

Reimplemented from core::scoring::constraints::AtomPairConstraint.

References core::scoring::constraints::AtomPairConstraint::func_, NamedAtomPairConstraint(), and core::scoring::constraints::Constraint::score_type().

Referenced by protocols::toolbox::DecoySetEvaluation::create_dist_constraints(), and protocols::toolbox::DecoySetEvaluation::create_dist_constraints_median().

void core::scoring::constraints::NamedAtomPairConstraint::read_def ( std::istream &  data,
pose::Pose const &  pose,
FuncFactory const &  func_factory 
) [virtual]
ConstraintOP core::scoring::constraints::NamedAtomPairConstraint::remapped_clone ( pose::Pose const &  src,
pose::Pose const &  dest,
id::SequenceMappingCOP  map = NULL 
) const [virtual]

Copies the data from this Constraint into a new object and returns an OP atoms are mapped to atoms with the same name in dest pose ( e.g. for switch from centroid to fullatom ) if a sequence_mapping is present it is used to map residue numbers .. NULL = identity mapping to the new object. Intended to be implemented by derived classes.

Reimplemented from core::scoring::constraints::AtomPairConstraint.

References core::scoring::constraints::AtomPairConstraint::atom1_, core::scoring::constraints::AtomPairConstraint::atom2_, core::scoring::constraints::AtomPairConstraint::func_, core::pose::named_atom_id_to_atom_id(), NamedAtomPairConstraint(), core::id::AtomID::rsd(), core::id::NamedAtomID::rsd(), core::scoring::constraints::Constraint::score_type(), and core::id::AtomID::valid().

void core::scoring::constraints::NamedAtomPairConstraint::setup_for_scoring ( XYZ_Func const &  xyz,
ScoreFunction const &   
) const [virtual]
void core::scoring::constraints::NamedAtomPairConstraint::show_def ( std::ostream &  ,
pose::Pose const &   
) const [virtual]

Prints the definition of a Constraint to the given std::ostream, using the given Pose, and the given FuncFactory. This method is intended to be overridden by derived classes if they'd like to use the ConstraintIO machinery. It's also not clear why this method takes a Pose, other than to be symmetric with read_def.

Reimplemented from core::scoring::constraints::AtomPairConstraint.

References show_def_nopose().

Referenced by protocols::toolbox::DecoySetEvaluation::create_dist_constraints(), and protocols::toolbox::DecoySetEvaluation::create_dist_constraints_median().

void core::scoring::constraints::NamedAtomPairConstraint::show_def_nopose ( std::ostream &  out) const

The documentation for this class was generated from the following files:
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines