ConstantConstraint.hh

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// vi: set ts=2 noet:
//
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/// @file core/scoring/constraints/ConstantConstraint.hh

#ifndef INCLUDED_core_scoring_constraints_ConstantConstraint_hh
#define INCLUDED_core_scoring_constraints_ConstantConstraint_hh

#include <core/scoring/constraints/Constraint.hh>
#include <core/scoring/constraints/Func.fwd.hh>
#include <core/scoring/constraints/XYZ_Func.fwd.hh>
#include <core/scoring/EnergyMap.fwd.hh>
#include <core/scoring/ScoreType.hh>

// Project headers
#include <core/pose/Pose.fwd.hh>
#include <core/id/AtomID.fwd.hh>
#include <core/conformation/Conformation.fwd.hh>

#include <utility/vector1.hh>


namespace core {
namespace scoring {
namespace constraints {

/// @brief A Constant Constraint.
class ConstantConstraint : public Constraint {
public:
  using Constraint::score;

  /// @brief compute score
  Real
  score() const;

  virtual std::string type() const;

  /// @brief compute score
  void
  score( XYZ_Func const &, EnergyMap const &, EnergyMap & emap ) const;

  //Real score( pose::Pose const & ) const;

  /// @brief compute atom deriv
  void
  fill_f1_f2(
    AtomID const & ,
    XYZ_Func const &,
    Vector & F1,
    Vector & F2,
    EnergyMap const &
  ) const;

  /// @brief Constructor
  ConstantConstraint(
    FuncOP func_in,
    ScoreType scotype = constant_constraint
  );

  // destructor
  ~ConstantConstraint();

  /// @brief number of atoms --- zero
  Size
  natoms() const;

  AtomID const &
  atom( Size const n ) const;

  /// @brief output violation of constraint (none!)
  Size show_violations( std::ostream &, pose::Pose const &, Size, core::Real ) const;

  void show( std::ostream& out ) const;

private:
  FuncOP func_;
};

} // constraints
} // scoring
} // core

#endif