LimitHitsPerRotamerFilter.cc

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
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//
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// (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
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/// @file   protocols/match/output/LimitHitsPerRotamerFilter.hh
/// @brief
/// @author Alex Zanghellini (zanghell@u.washington.edu)
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com), porting to mini


// Unit headers
#include <protocols/match/output/LimitHitsPerRotamerFilter.hh>

// Package headers
#include <protocols/match/output/MatchFilter.hh>
#include <protocols/match/Hit.hh>

// Utility headers
#include <utility/exit.hh>
#include <utility/OrderedTuple.hh>
// AUTO-REMOVED #include <utility/vector1.hh>

// C++ headers
#include <map>

namespace protocols {
namespace match {
namespace output {

LimitHitsPerRotamerFilter::LimitHitsPerRotamerFilter()
  : StateAccumulatingMatchFilter("LimitHitsPerRotamerFilter")
{}
LimitHitsPerRotamerFilter::LimitHitsPerRotamerFilter( Size n_geometric_constraints ) :
  StateAccumulatingMatchFilter("LimitHitsPerRotamerFilter"),
  n_geometric_constraints_( n_geometric_constraints )
{}

void
LimitHitsPerRotamerFilter::set_n_geometric_constraints( Size n_csts )
{
  n_geometric_constraints_ = n_csts;

}

void
LimitHitsPerRotamerFilter::set_limit_for_rotamer_combo( Size limit )
{
  limit_per_rotamer_combo_ = limit;
}

LimitHitsPerRotamerFilter::~LimitHitsPerRotamerFilter() {}

/// @brief Returns true if the given match passes this filter
bool
LimitHitsPerRotamerFilter::passes_filter(
  match const & m
) const
{
  runtime_assert( m.size() == n_geometric_constraints_ );

  utility::vector1< Size > rot_vector( n_geometric_constraints_ * 2, 0 );
  for ( Size ii = 1; ii <= n_geometric_constraints_; ++ii ) {
    rot_vector[ ii ] = m[ ii ].scaffold_build_id();
    rot_vector[ n_geometric_constraints_ + ii ] = m[ ii ].upstream_conf_id();
  }

  RotamerComboCountMap::const_iterator iter = count_per_rotamer_combo_.find( rot_vector );
  if ( iter == count_per_rotamer_combo_.end() ) {
    return true;
  } else {
    return iter->second < limit_per_rotamer_combo_;
  }
}

/// @brief Note that a particular match has passed all the filters and will be output.
void
LimitHitsPerRotamerFilter::note_match_accepted(
  match const & m
)
{
  runtime_assert( m.size() == n_geometric_constraints_ );

  utility::vector1< Size > rot_vector( n_geometric_constraints_ * 2, 0 );
  for ( Size ii = 1; ii <= n_geometric_constraints_; ++ii ) {
    rot_vector[ ii ] = m[ ii ].scaffold_build_id();
    rot_vector[ n_geometric_constraints_ + ii ] = m[ ii ].upstream_conf_id();
  }

  RotamerComboCountMap::iterator iter = count_per_rotamer_combo_.find( rot_vector );
  if ( iter == count_per_rotamer_combo_.end() ) {
    count_per_rotamer_combo_[ rot_vector ] = 1;
  } else {
    ++iter->second;
  }
}

/// @brief Erase all tracking data on which matches have already been output.
void
LimitHitsPerRotamerFilter::reset()
{
  count_per_rotamer_combo_.clear();
}

}
}
}