CircularSigmoidalFunc.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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/// @file src/core/scoring/constraints/SigmoidalFunc.hh
/// @brief Definition for functions used in definition of constraints.
/// @author RobertVernon

#ifndef INCLUDED_core_scoring_constraints_CircularSigmoidalFunc_hh
#define INCLUDED_core_scoring_constraints_CircularSigmoidalFunc_hh

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

// C++ Headers

namespace core {
namespace scoring {
namespace constraints {

/// @brief Function that operates in radians, for applications like DihedralConstraint.
/// Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints.
class CircularSigmoidalFunc : public Func {
public:
  CircularSigmoidalFunc(
      Real const center_radians, Real const width_radians, Real const slope_radians
                       ) : xC_( center_radians ), m_( slope_radians ),
                          o1_( -width_radians/2 ), o2_( width_radians/2 ), offset_( 1.0 ) {}

  CircularSigmoidalFunc(
      Real const center_radians, Real const width_radians, Real const slope_radians,
      Real const offset                ) : xC_( center_radians ), m_( slope_radians ),
                  o1_( -width_radians/2 ), o2_( width_radians/2 ), offset_( offset ) {}

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

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

  virtual void read_data( std::istream & in );
  virtual void show_definition( std::ostream & out ) const;

private:
  Real xC_;
  Real m_;
  Real o1_;
  Real o2_;
  Real offset_;
};

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

#endif