VarianceStatisticsArchive.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:
//
// This file is part of the Rosetta software suite and is made available under license.
// The Rosetta software is developed by the contributing members of the Rosetta Commons consortium.
// (C) 199x-2009 Rosetta Commons participating institutions and developers.
// For more information, see http://www.rosettacommons.org/.

/// @file IterativeAbrelax
/// @brief iterative protocol starting with abinitio and getting progressively more concerned with full-atom relaxed structures
/// @detailed
/// @author Oliver Lange

// Unit Headers
#include <protocols/jd2/archive/VarianceStatisticsArchive.hh>

// Package Headers
#include <core/io/silent/SilentStruct.hh>

// Utility Headers
#include <basic/Tracer.hh>
#include <basic/MemTracer.hh>
#include <numeric/random/random.hh>


static basic::Tracer tr("protocols.iterative.VarianceStatistics");
using basic::mem_tr;

static numeric::random::RandomGenerator RG(410142); // <- Magic number, do not change

using core::Real;


namespace protocols {
namespace jd2 {
namespace archive {


VarianceStatisticsArchive::VarianceStatisticsArchive( std::string name )
  : insertion_prob_( 0.1 )
{
  set_name( name );
}


bool VarianceStatisticsArchive::add_evaluated_structure( core::io::silent::SilentStructOP evaluated_decoy, Batch const& ) {
  if ( decoys().size() < nstruct() ) {
    tr.Debug << "added " << evaluated_decoy->decoy_tag() << " to " << name() << std::endl;
    decoys().insert( decoys().begin(), evaluated_decoy );
    invalidate_score_variations();
    return true;
  }

  if ( RG.uniform() < insertion_prob_ ) { //keep or not ?
    //replace with random element
    Size rg_pos( static_cast< int >( RG.uniform() * decoys().size() ) );
    runtime_assert( rg_pos < decoys().size() );
    SilentStructs::iterator it=decoys().begin();
    while ( rg_pos-- > 0 ) {
      ++it;
    }
    runtime_assert( it != decoys().end() );
    *it=evaluated_decoy;
    invalidate_score_variations();
    return true;
  }

  return false;
}

}
} //abinitio
} //protocols