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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>

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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.

Constructor & Destructor Documentation

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

Member Function Documentation

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

Returns the Function Derivative.

References func_.

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

Returns the ScoreType.

References dof_id_.

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

Returns the Function.

References func_.

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

Returns the ScoreType.

References score_type_.

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

Member Data Documentation

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

Referenced by dof_id().

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

Referenced by dfunc(), and func().

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

Referenced by score_type().


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