UpstreamHitCacher.hh

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/// @file   protocols/match/output/UpstreamHitCacher.hh
/// @brief  Declaration for class to cache and recall the conformations of upstream hits.
/// @author Alex Zanghellini (zanghell@u.washington.edu)
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com), porting to mini

#ifndef INCLUDED_protocols_match_output_UpstreamHitCacher_hh
#define INCLUDED_protocols_match_output_UpstreamHitCacher_hh

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

// Package headers
#include <protocols/match/Hit.fwd.hh>
#include <protocols/match/Matcher.fwd.hh>
#include <protocols/match/upstream/UpstreamBuilder.hh>

// Utility headers
#include <utility/pointer/ReferenceCount.hh>
#ifdef WIN32
#include <utility/OrderedTuple.hh>
#include <utility/vector1.hh>
#endif

// C++ headers
#include <map>

#include <utility/OrderedTuple.fwd.hh>
#include <utility/vector1_bool.hh>


namespace protocols {
namespace match {
namespace output {

class UpstreamHitCacher : public upstream::UpstreamResidueProcessor {
public:

  typedef utility::fixedsizearray1< Size, 2 >          ScaffoldRotamerPair;
  typedef utility::OrderedTuple< ScaffoldRotamerPair > ScaffoldRotamerTuple;

public:
  UpstreamHitCacher( MatcherCOP matcher );
  virtual ~UpstreamHitCacher();

  void
  set_cache_size( Size n_rotamers_to_cache );

  core::conformation::ResidueCOP
  upstream_conformation_for_hit( Size geometric_constraint_id, Hit const & hit );

public:

  /// @brief The method by which the UpstreamHitCacher communicates with the UpstreamBuilders.
  /// CAUTION: this class should not be handed to an UpstreamBuilder directly.  It should only
  /// hand itself to an UpstreamBuilder. Ask the UpstreamHitCacher for a particular hit, and it
  /// will call recover_rotamer() on the upstream builder; it's doing bookkeeping in the background
  /// and that bookkeeping is important for the success of this function.
  virtual
  void
  process_hit(
    Hit const & hit,
    core::conformation::Residue const & upstream_conformation
  );


private:

  /// @brief Allocate space in the arrays dependent on n_geometric_constraints_ and
  /// n_confs_to_cache_.
  void
  resize_arrays();

  /// @brief Returns 0 if the scaffold/rotamer pair is not already in the queue, and
  /// the non-zero index in the queue if it is.
  Size
  already_in_queue( Size cst_id, ScaffoldRotamerTuple const & rotid ) const;

  /// @brief Construct the rotamer for the requested scaffold/rotamer pair and
  /// put it into the queue, evicting the previous queue resident if necessary.
  Size
  fetch( Size cst_id, ScaffoldRotamerTuple const & rotid );

private:
  MatcherCOP matcher_;

  Size n_geometric_constraints_;
  Size n_confs_to_cache_;

  utility::vector1< std::map< ScaffoldRotamerTuple, Size > > index_for_rotamer_;

  Size which_cst_being_processed_;

  utility::vector1< Size > queue_head_;
  utility::vector1< utility::vector1< ScaffoldRotamerTuple > >           scafrot_pair_for_conf_;
  utility::vector1< utility::vector1< core::conformation::ResidueCOP > > upstream_confs_;

};

}
}
}

#endif