AdaptiveScoreHistogram.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   protocols/frag_picker/scores/AdaptiveScoreHistogram.cc
/// @brief
/// @author Dominik Gront (dgront@chem.uw.edu.pl)

// package headers
#include <basic/Tracer.hh>
#include <protocols/frag_picker/scores/AdaptiveScoreHistogram.hh>

#include <cmath>

#include <utility/vector1.hh>


namespace protocols {
namespace frag_picker {
namespace scores {

static basic::Tracer trAdaptiveScoreHistogram(
    "fragment.picking.scores.AdaptiveScoreHistogram");

AdaptiveScoreHistogram::AdaptiveScoreHistogram(Real bin_size,Real initial_max_score) {
      bin_size_ = bin_size;
      is_up_to_date_ = true;
      Size new_size = (Size)(initial_max_score / bin_size_);
      data_.resize(new_size);
}

AdaptiveScoreHistogram::~AdaptiveScoreHistogram() {}

void AdaptiveScoreHistogram::insert(Real score) {

    Size bin_id = (Size)(score / bin_size_);
    if(data_.size() <= bin_id)
  data_.resize(bin_id+1);
    data_[bin_id+1]++;
    is_up_to_date_ = false;
}

Size AdaptiveScoreHistogram::sum() {

    Size sum = 0;
    for(Size i=1;i<=data_.size();i++)
  sum += data_[i];

    return sum;
}

Real AdaptiveScoreHistogram::p_value(Real score) {

    if(cumulative_sums_.size() < data_.size()) {
  cumulative_sums_.resize( data_.size() );
  is_up_to_date_ = false;
    }

    if(!is_up_to_date_) {
  cumulative_sums_[1] = data_[1];
  for(Size i=2;i<=data_.size();i++) {
      cumulative_sums_[i] = cumulative_sums_[i-1] + data_[i];
  }
    }

    Size bin_id = (Size)(score / bin_size_);
    if (bin_id >= cumulative_sums_.size())
  return 0.0;
    else
  return log(cumulative_sums_[bin_id + 1] / (Real) cumulative_sums_[cumulative_sums_.size()]);
}

}
} // frag_picker
} // protocols