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core::scoring::constraints::ConstantConstraint Class Reference

A Constant Constraint. More...

#include <ConstantConstraint.hh>

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Public Member Functions

Real score () const
 compute score More...
 
virtual std::string type () const
 Returns a unique string identified for this constraint. Used in several places, including the ConstraintIO class. More...
 
void score (XYZ_Func const &, EnergyMap const &, EnergyMap &emap) const
 compute score More...
 
void fill_f1_f2 (AtomID const &, XYZ_Func const &, Vector &F1, Vector &F2, EnergyMap const &) const
 compute atom deriv More...
 
 ConstantConstraint (FuncOP func_in, ScoreType scotype=constant_constraint)
 Constructor. More...
 
 ~ConstantConstraint ()
 
Size natoms () const
 number of atoms — zero More...
 
AtomID const & atom (Size const n) const
 Returns the AtomID referred to by index. More...
 
Size show_violations (std::ostream &, pose::Pose const &, Size, core::Real) const
 output violation of constraint (none!) More...
 
void show (std::ostream &out) const
 This method is intended to show the value of the Constraint function evaluated over some reasonable range of values. For example, a constraint between pairs of atoms might show the values of the Constraint function between 4 and 12 angstroms. More...
 
- Public Member Functions inherited from core::scoring::constraints::Constraint
 Constraint (ScoreType const &t)
 Constructor for Constraint class. More...
 
virtual ~Constraint ()
 Virtual destructor. More...
 
virtual ConstraintOP clone () const =0
 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. More...
 
virtual ConstraintOP clone (FuncOP) const
 
virtual ConstraintOP remapped_clone (pose::Pose const &, pose::Pose const &, 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. More...
 
virtual utility::vector1
< core::Size
residues () const
 Returns the pose numbers of the residues involved in this constraint, in no particular order. More...
 
virtual void read_constraint (std::istream &, core::pose::Pose const &)
 This method is totally redundant with read_def YAY. More...
 
ScoreType const & score_type () const
 Returns the ScoreType that this Constraint object will use. More...
 
virtual void read_data (std::istream &)
 initialize this Constraint from the given std::istream. It's amazing that there are three functions for doing this inside of Constraint.hh. SO WHAT IS THIS SUPPOSED TO DO ? not overloaded by e.g., AtomPairConstraint or CoordinateConstraint, More...
 
virtual ConstraintOP remap_resid (core::id::SequenceMapping const &) const
 apply a resid remapping to this constraint, returns the remapped constraint Does this return an owning pointer to this constraint or a copy? Documentation would be nice. More...
 
virtual core::Real dist (core::pose::Pose const &) const
 return the "raw" distance before handed to the FUNC object More...
 
virtual core::Real dist (XYZ_Func const &) const
 
virtual void setup_for_scoring (XYZ_Func const &, ScoreFunction const &) const
 
virtual void setup_for_derivatives (XYZ_Func const &, ScoreFunction const &) const
 
virtual Real score (conformation::Conformation const &) const
 Returns the score of this constraint computed over the given conformation. Not necessarily implemented in all derived classes, as it's redundant with the score( XYZ_Func, EnergyMap, EnergyMap ) method defined above. Returns 0.0 if not implemented. More...
 
virtual void show_def (std::ostream &, pose::Pose const &) 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. More...
 
virtual void read_def (std::istream &, pose::Pose const &, FuncFactory const &)
 
virtual void steal_def (pose::Pose const &)
 
std::string to_string () const
 Convenience function, returns the results of show() as a string. Not to be overriden by derived classes. More...
 
virtual Func const & get_func () const
 Returns the Func object associated with this Constraint object. More...
 
virtual bool operator== (Constraint const &) const
 possibility to do object comparison instead of pointer comparison More...
 
bool operator!= (Constraint const &other) const
 possibility to do object comparison instead of pointer comparison More...
 
virtual core::Size choose_effective_sequence_separation (core::kinematics::ShortestPathInFoldTree const &sp, numeric::random::RandomGenerator &)
 
virtual core::Size effective_sequence_separation (core::kinematics::ShortestPathInFoldTree const &) const
 

Private Attributes

FuncOP func_
 

Additional Inherited Members

- Public Types inherited from core::scoring::constraints::Constraint
typedef id::AtomID AtomID
 

Detailed Description

A Constant Constraint.

Constructor & Destructor Documentation

core::scoring::constraints::ConstantConstraint::ConstantConstraint ( FuncOP  func_in,
ScoreType  scotype = constant_constraint 
)

Constructor.

core::scoring::constraints::ConstantConstraint::~ConstantConstraint ( )

Member Function Documentation

id::AtomID const & core::scoring::constraints::ConstantConstraint::atom ( Size const  index) const
virtual

Returns the AtomID referred to by index.

Note that this function isn't actually used by the constraint scoring machenery. If you're calling it on a generic Constraint (as opposed to specifically on a derived class) you're probably doing something wrong.

Implements core::scoring::constraints::Constraint.

void core::scoring::constraints::ConstantConstraint::fill_f1_f2 ( AtomID const &  ,
XYZ_Func const &  ,
Vector F1,
Vector F2,
EnergyMap const &   
) const
virtual

compute atom deriv

Implements core::scoring::constraints::Constraint.

Size core::scoring::constraints::ConstantConstraint::natoms ( ) const
virtual

number of atoms — zero

Implements core::scoring::constraints::Constraint.

Real core::scoring::constraints::ConstantConstraint::score ( ) const

compute score

References func_.

Referenced by score().

void core::scoring::constraints::ConstantConstraint::score ( XYZ_Func const &  ,
EnergyMap const &  ,
EnergyMap emap 
) const
virtual
void core::scoring::constraints::ConstantConstraint::show ( std::ostream &  ) const
virtual

This method is intended to show the value of the Constraint function evaluated over some reasonable range of values. For example, a constraint between pairs of atoms might show the values of the Constraint function between 4 and 12 angstroms.

Reimplemented from core::scoring::constraints::Constraint.

References func_.

Size core::scoring::constraints::ConstantConstraint::show_violations ( std::ostream &  ,
pose::Pose const &  ,
Size  ,
core::Real   
) const
virtual

output violation of constraint (none!)

Reimplemented from core::scoring::constraints::Constraint.

std::string core::scoring::constraints::ConstantConstraint::type ( ) const
virtual

Returns a unique string identified for this constraint. Used in several places, including the ConstraintIO class.

Reimplemented from core::scoring::constraints::Constraint.

Member Data Documentation

FuncOP core::scoring::constraints::ConstantConstraint::func_
private

Referenced by score(), and show().


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