SquareWellFunc.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:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
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/// @file src/core/scoring/constraints/SquareWellFunc.hh
/// @brief Definition for functions used in definition of constraints.
/// @author Rhiju Das

#ifndef INCLUDED_core_scoring_constraints_SquareWellFunc_hh
#define INCLUDED_core_scoring_constraints_SquareWellFunc_hh

#include <core/scoring/constraints/SquareWellFunc.fwd.hh>

#include <core/scoring/constraints/Func.hh>

#include <core/types.hh>

#include <utility/pointer/ReferenceCount.hh>


// C++ Headers

namespace core {
namespace scoring {
namespace constraints {

class SquareWellFunc : public Func {
public:
  SquareWellFunc( Real const x0_in, Real const well_depth_in ): x0_( x0_in ), well_depth_( well_depth_in ){}

  FuncOP
  clone() const { return new SquareWellFunc( *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 well_depth() const { return well_depth_; }
  void x0( Real x ) { x0_ = x; }
  void well_depth( Real well_depth ){ well_depth_ = well_depth;}

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

private:
  Real x0_;
  Real well_depth_;
};



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

#endif