core::scoring::constraints::DOF_Constraint Class Reference

This isn't quite a standard constraint since it acts on DOF's directly rather than on XYZ coordinates. More...

#include <DOF_Constraint.hh>

Inheritance diagram for core::scoring::constraints::DOF_Constraint:

Collaboration diagram for core::scoring::constraints::DOF_Constraint:

Public Member Functions
	DOF_Constraint (id::DOF_ID const &id, FuncOP func, ScoreType t=dof_constraint)
id::DOF_ID const &	dof_id () const
	Returns the ScoreType. More...
ScoreType const &	score_type () const
	Returns the ScoreType. More...
Real	func (Real const val) const
	Returns the Function. More...
Real	dfunc (Real const val) const
	Returns the Function Derivative. More...
virtual	~DOF_Constraint ()
virtual void	show (std::ostream &out) const

Private Attributes
id::DOF_ID const	dof_id_
constraints::FuncOP	func_
ScoreType const	score_type_

Detailed Description

This isn't quite a standard constraint since it acts on DOF's directly rather than on XYZ coordinates.

All DOF_Constraints are expected to be immutable once created, meaning their internal data (state) should not change over their lifetime. This allows DOF_Constraints to be shared between copies of Poses (e.g. in Monte Carlo), and is important for both speed (with thousands of contraints) and correctness.

To "change" a constraint, remove the old one and add a new and different one. The clone() and steal() methods have been removed because they are unneccessary and incompatible (respectively) with the idea of immutable constraints.

Definition at line 48 of file DOF_Constraint.hh.

Constructor & Destructor Documentation

core::scoring::constraints::DOF_Constraint::DOF_Constraint ( id::DOF_ID const &  id, FuncOP  func, ScoreType  t = dof_constraint  )

inline

Definition at line 51 of file DOF_Constraint.hh.

virtual core::scoring::constraints::DOF_Constraint::~DOF_Constraint ( )

inlinevirtual

Definition at line 86 of file DOF_Constraint.hh.

Member Function Documentation

Real core::scoring::constraints::DOF_Constraint::dfunc ( Real const  val) const

inline

Returns the Function Derivative.

Definition at line 79 of file DOF_Constraint.hh.

References func_.

id::DOF_ID const& core::scoring::constraints::DOF_Constraint::dof_id ( ) const

inline

Returns the ScoreType.

Definition at line 58 of file DOF_Constraint.hh.

References dof_id_.

Real core::scoring::constraints::DOF_Constraint::func ( Real const  val) const

inline

Returns the Function.

Definition at line 72 of file DOF_Constraint.hh.

References func_.

ScoreType const& core::scoring::constraints::DOF_Constraint::score_type ( ) const

inline

Returns the ScoreType.

Definition at line 65 of file DOF_Constraint.hh.

References score_type_.

virtual void core::scoring::constraints::DOF_Constraint::show ( std::ostream &  out) const

inlinevirtual

Definition at line 88 of file DOF_Constraint.hh.

Member Data Documentation

id::DOF_ID const core::scoring::constraints::DOF_Constraint::dof_id_

private

Definition at line 94 of file DOF_Constraint.hh.

Referenced by dof_id().

constraints::FuncOP core::scoring::constraints::DOF_Constraint::func_

private

Definition at line 95 of file DOF_Constraint.hh.

Referenced by dfunc(), and func().

ScoreType const core::scoring::constraints::DOF_Constraint::score_type_

private

Definition at line 96 of file DOF_Constraint.hh.

Referenced by score_type().

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

• src/core/scoring/constraints/DOF_Constraint.hh