SOGFunc.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.
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/// @file src/core/scoring/constraints/SOGFunc.hh
/// @brief Definition for functions used in definition of constraints.
/// @author James Thompson

#ifndef INCLUDED_core_scoring_constraints_SOGFunc_hh
#define INCLUDED_core_scoring_constraints_SOGFunc_hh

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

#include <core/scoring/constraints/SOGFunc.fwd.hh>
#include <core/scoring/constraints/SOGFunc_Impl.hh>

// C++ Headers

// AUTO-REMOVED #include <ostream>

#include <utility/vector1.hh>


namespace core {
namespace scoring {
namespace constraints {

/// @brief Derived class of class Func representing a SOG distribution with a user-specified
/// mean and standard deviation.
class SOGFunc : public Func {
public:

  SOGFunc() {}

  SOGFunc(
    const utility::vector1< core::Real >& means,
    const utility::vector1< core::Real >& sdevs,
    const utility::vector1< core::Real >& weights
  );

  SOGFunc( core::Real mean, core::Real sdev );

  /// @brief returns a clone of this SOGFunc
  FuncOP clone() const { return new SOGFunc( *this ); }

  /// @brief Returns the value of this SOGFunc evaluated at distance x.
  Real func( Real const x ) const;

  /// @brief Returns the value of the first derivative of this SOGFunc at distance x.
  Real dfunc( Real const x ) const;

  void check_bounds( Real const x, Real const val ) const;

  /// @brief show the definition of this SOGFunc to the specified output stream.
  virtual void show_definition( std::ostream &out ) const;

  /// @brief Calls show( out ) on this SOGFunc.
  friend std::ostream& operator<<(std::ostream& out, const SOGFunc& f ) {
    f.show( out );
    return out;
  } // operator<<


  /// @brief Initializes this SOGFunc from the given istream.
  /// @detailed The parameters are:
  /*!
   * Initializes this SOGFunc from the given istream. An example
   * of the type of string from which the istream should be constructed is:
   * "SOGFUNC 2 19.396 7.643 0.4 17.312 2.4 0.6". The interpretation is to
   * create initialize this SOGFunc object with the following parameters:
   * - one Gaussian function with mean 19.396 and sd 7.643, weighted with a
   * weight of 0.4
   * - another Gaussian function with mean of 17.312 and sd 2.4, with a weight
   * of 0.6.
   * Weights need not add up to 1, but many times they will.
   */
  void read_data( std::istream & in );

private:
  void clear_();
  core::Real get_alt_score_( core::Real const x ) const;

  SOGFunc_Impl member_;
};



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

#endif