TopOutFunc.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
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/// @file src/core/scoring/constraints/TopOutFunc.hh
/// @brief Implementation of phenix "top-out" function
///   Similar to Geman-McClure: harmonic near 'x0_', flat past 'limit_'
/// @author Frank DiMaio

#ifndef INCLUDED_core_scoring_constraints_TopOutFunc_hh
#define INCLUDED_core_scoring_constraints_TopOutFunc_hh

#include <core/scoring/constraints/TopOutFunc.fwd.hh>
#include <core/scoring/constraints/Func.hh>
#include <core/types.hh>

// C++ Headers

namespace core {
namespace scoring {
namespace constraints {

class TopOutFunc : public Func {
public:
  TopOutFunc( Real weight_in, Real x0_in, Real limit_in ) :
    x0_( x0_in ), weight_( weight_in), limit_( limit_in ) {}

  FuncOP
  clone() const { return new TopOutFunc( *this ); }

  Real func( Real const x ) const;
  Real dfunc( Real const x ) const;

  void read_data( std::istream & in );

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

  Real x0() const { return x0_; }
  Real limit() const { return limit_; }
  Real weight() const { return weight_; }

  void x0( Real x ) { x0_ = x; }
  void limit( Real limit ) { limit_ = limit; }
  void weight( Real weight ) { weight_ = weight; }

  Size
  show_violations( std::ostream& out, Real x, Size verbose_level, core::Real threshold = 1 ) const;

private:
  Real x0_;
  Real weight_;
  Real limit_;
};

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

#endif