HarmonicFunc.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) 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/HarmonicFunc.hh
/// @brief Definition for functions used in definition of constraints.
/// @author James Thompson

#ifndef INCLUDED_core_scoring_constraints_HarmonicFunc_hh
#define INCLUDED_core_scoring_constraints_HarmonicFunc_hh

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

// C++ Headers

namespace core {
namespace scoring {
namespace constraints {

class HarmonicFunc : public Func {
public:
  HarmonicFunc( Real const x0_in, Real const sd_in ): x0_( x0_in ), sd_( sd_in ){}

  FuncOP
  clone() const; // { return new HarmonicFunc( *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 sd() const {
    return sd_;
  }

  void x0( Real x ) {
    x0_ = x;
  }

  void sd( Real sd ) {
    sd_ = sd;
  }

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

private:
  Real x0_;
  Real sd_;
};

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

#endif