SoedingFunc.cc

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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
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

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

// AUTO-REMOVED #include <numeric/util.hh>

#include <core/scoring/constraints/SoedingFunc.hh>
#include <core/scoring/constraints/util.hh>
#include <core/types.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/james.OptionKeys.gen.hh>

// C++ Headers
#include <iostream>

#include <utility/vector1.hh>

//Auto Headers
#include <cmath>


namespace core {
namespace scoring {
namespace constraints {

void
SoedingFunc::read_data( std::istream & in ) {
  in >> w1_ >> mean1_ >> sdev1_ >> w2_ >> mean2_ >> sdev2_;
}

Real
SoedingFunc::compute_func( Real const x ) const {
  using std::exp;
  using std::log;

  Real const numerator(
    dgaussian(x,mean1_,sdev1_,w1_) + dgaussian(x,mean2_,sdev2_,w2_)
  );
  Real const denominator(
    dgaussian(x, mean2_, sdev2_,w2_)
  );

  //Real const score( log(numerator) - log(denominator) );
  Real const score( log(denominator) - log(numerator) );
  return score;
}

Real
SoedingFunc::func( Real const x ) const {
  using namespace basic::options;
  using namespace basic::options::OptionKeys;

  Real const score( compute_func(x) );

  if ( option[ james::debug ]() ) {
    //return std::min( score, compute_func(10) );   
    return std::min( score, 0.0 );    
  }
  return score;
} // func

Real
SoedingFunc::dfunc( Real const x ) const {
  return estimate_dfunc(x);
} // dfunc

void SoedingFunc::show_definition( std::ostream & out ) const {
  out << "SOEDINGFUNC " << w1_ << " " << mean1_ << " " << sdev1_ << " "
    << w2_ << " " << mean2_ << " " << sdev2_;
} // show_definition

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