StructureFeatures.hh

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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/features/StructureFeatures.hh
/// @brief  report structure identifiers to a features database
/// @author Matthew O'Meara

#ifndef INCLUDED_protocols_features_StructureFeatures_hh
#define INCLUDED_protocols_features_StructureFeatures_hh

// Unit Headers
#include <protocols/features/FeaturesReporter.hh>
#include <protocols/features/StructureFeatures.fwd.hh>

//External
#include <boost/uuid/uuid.hpp>

// Project Headers
#include <core/pose/Pose.fwd.hh>
// AUTO-REMOVED #include <utility/sql_database/DatabaseSessionManager.hh>
#include <utility/vector1.fwd.hh>

// C++ Headers
#include <string>

#include <utility/vector1.hh>
#include <utility/exit.hh>

namespace protocols{
namespace features{

class StructureFeatures : public protocols::features::FeaturesReporter {
public:
  StructureFeatures();

  StructureFeatures( StructureFeatures const & src );

  virtual ~StructureFeatures();

  ///@brief return string with class name
  std::string
  type_name() const;

  ///@brief generate the table schemas and write them to the database
  virtual void
  write_schema_to_db(utility::sql_database::sessionOP db_session) const;

  ///@brief return the set of features reporters that are required to
  ///also already be extracted by the time this one is used.
  utility::vector1<std::string>
  features_reporter_dependencies() const;

  ///@brief collect all the feature data for the pose use
  boost::uuids::uuid
  report_features(
    utility::vector1< bool > const & relevant_residues,
    core::Size batch_id,
    utility::sql_database::sessionOP db_session
  );

  ///@brief collect all the feature data for the pose
  core::Size
  report_features(
    core::pose::Pose const &,
    utility::vector1< bool > const &,
    boost::uuids::uuid,
    utility::sql_database::sessionOP
  ) {
    utility_exit_with_message(
      "The score_type features reporter is a special feature reporter "
      " Please use the other interface for report_features");
    return 0;
  }


  ///@brief collect all the feature data for the pose use
  ///This version allows the tag and the input tag to be specificed
  boost::uuids::uuid
  report_features(
    utility::vector1< bool > const & relevant_residues,
    core::Size batch_id,
    utility::sql_database::sessionOP db_session,
    std::string const & tag,
    std::string const & input_tag
  );


  void mark_structure_as_sampled(
    core::Size batch_id,
    std::string const & tag,
    std::string const & input_tag,
    utility::sql_database::sessionOP db_session
  );

  void delete_record(
    boost::uuids::uuid struct_id,
    utility::sql_database::sessionOP db_session
  );

  void
  load_into_pose(
    utility::sql_database::sessionOP db_session,
    boost::uuids::uuid struct_id,
    core::pose::Pose & pose);

  void
  load_tag(
    utility::sql_database::sessionOP db_session,
    boost::uuids::uuid struct_id,
    core::pose::Pose & pose);


  boost::uuids::uuid
  get_struct_id(
    utility::sql_database::sessionOP db_session,
    std::string const & tag,
    core::Size const & protocol_id
  );

};

} // namespace
} // namespace

#endif // include guard