A Constant Constraint. More...

#include <ConstantConstraint.hh>

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 (func::XYZ_Func const &, EnergyMap const &, EnergyMap &emap) const
	compute score More...

void	fill_f1_f2 (AtomID const &, func::XYZ_Func const &, Vector &F1, Vector &F2, EnergyMap const &) const
	compute atom deriv More...

	ConstantConstraint (func::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 (core::scoring::func::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 (core::scoring::func::XYZ_Func const &) const

virtual void	setup_for_scoring (core::scoring::func::XYZ_Func const &, ScoreFunction const &) const

virtual void	setup_for_derivatives (core::scoring::func::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 func::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 &, core::scoring::func::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 core::scoring::func::Func const &	get_func () const
	Returns the func::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
func::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	(	func::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.

References utility_exit_with_message.

void core::scoring::constraints::ConstantConstraint::fill_f1_f2	(	AtomID const &	,
		func::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	(	func::XYZ_Func const &	,
		EnergyMap const &	,
		EnergyMap &	emap
	)		const

virtual

compute score

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

References score(), and core::scoring::constraints::Constraint::score_type().

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_.