SquareWell2Func.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.
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// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
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/// @file src/core/scoring/constraints/SquareWell2Func.hh
/// @brief Definition for functions used in definition of constraints.
/// @author Rhiju Das
/// @author Jianqing Xu

#ifndef INCLUDED_core_scoring_constraints_SquareWell2Func_hh
#define INCLUDED_core_scoring_constraints_SquareWell2Func_hh

#include <core/scoring/constraints/SquareWell2Func.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 SquareWell2Func : public Func {
public:
  SquareWell2Func( Real const x0_in, Real const x_range_in, Real const well_depth_in ): x0_( x0_in ), x_range_(x_range_in), well_depth_( well_depth_in ){}

  FuncOP
  clone() const { return new SquareWell2Func( *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 x_range()    const { return x_range_ ;}
  Real well_depth() const { return well_depth_; }
  void x0( Real x )                 { x0_         = x; }
  void x_range(Real x_range)        { x_range_    = x_range; }
  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 x_range_;
  Real well_depth_;
};



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

#endif