RRReporterSQLite.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 src/protocols/rotamer_recovery/RRReporterSQLite.hh
/// @author Matthew O'Meara (mattjomeara@gmail.com)

#ifndef INCLUDED_protocols_rotamer_recovery_RRReporterSQLite_hh
#define INCLUDED_protocols_rotamer_recovery_RRReporterSQLite_hh

// Unit Headers
#include <protocols/rotamer_recovery/RRReporter.hh>
#include <protocols/rotamer_recovery/RRReporterSQLite.fwd.hh>

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

// Project Headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>

// Utility Headers
#include <utility/pointer/ReferenceCount.hh>
#include <utility/sql_database/DatabaseSessionManager.fwd.hh>
#include <utility/vector1.hh>

//Auto Headers
#include <string>
// C++ Headers


namespace protocols {
namespace rotamer_recovery {

class RRReporterSQLite : public RRReporter {

public: // constructors destructors

  struct OutputLevel{
    enum e {
      full = 1,
      features,
      none
    };
  };

RRReporterSQLite();

  RRReporterSQLite(
    std::string const & database_name,
    std::string const & database_pq_schema = "",
    OutputLevel::e const output_level = OutputLevel::full
  );

  RRReporterSQLite(
    utility::sql_database::sessionOP db_session,
    OutputLevel::e const output_level = OutputLevel::full
  );

  ~RRReporterSQLite();

  RRReporterSQLite( RRReporterSQLite const & );

public: // public interface

  ///@brief generate the table schemas and write them to the database
  void
  write_schema_to_db(
    utility::sql_database::sessionOP db_session,
    OutputLevel::e output_level = OutputLevel::full) const;

private:
  ///@brief generate the nchi table schema
  void
  write_nchi_table_schema(
    utility::sql_database::sessionOP db_session) const;

  ///@brief generate the full rotamer_recovery table schema
  void
  write_rotamer_recovery_full_table_schema(
    utility::sql_database::sessionOP db_session) const;

  ///@brief generate the features rotamer_recovery table schema
  void
  write_rotamer_recovery_features_table_schema(
    utility::sql_database::sessionOP db_session) const;

public:
  void
  set_protocol_info(
    std::string const & protocol_name,
    std::string const & protocol_params);

  void
  set_comparer_info(
    std::string const & comparer_name,
    std::string const & comparer_params);

  utility::sql_database::sessionOP
  db_session();

  void
  set_output_level(
    OutputLevel::e const output_level );

  OutputLevel::e
  get_output_level() const;

  void
  set_struct_id1(
    boost::uuids::uuid const struct_id1);

  boost::uuids::uuid
  get_struct_id1() const;

  void
  set_struct_id2(
    boost::uuids::uuid const struct_id1);

  boost::uuids::uuid
  get_struct_id2() const;

  virtual
  void
  reset_recovery();

  virtual
  void
  report_rotamer_recovery(
    core::pose::Pose const & pose1,
    core::pose::Pose const & pose2,
    core::conformation::Residue const & res1,
    core::conformation::Residue const & res2,
    core::Real score,
    bool recovered
  );


  virtual
  void
  report_rotamer_recovery_full(
    core::pose::Pose const & pose1,
    core::pose::Pose const & pose2,
    core::conformation::Residue const & res1,
    core::conformation::Residue const & res2,
    core::Real score,
    bool recovered
  );

  virtual
  void
  report_rotamer_recovery_features(
    boost::uuids::uuid struct_id1,
    core::conformation::Residue const & res1,
    core::Real score,
    bool recovered
  );

  virtual
  core::Real
  recovery_rate() const;

  virtual
  void
  show(std::ostream & out ) const;

  virtual
  void
  show() const;

private: // data members

  OutputLevel::e output_level_;

  boost::uuids::uuid struct_id1_;
  boost::uuids::uuid struct_id2_;

  std::string protocol_name_;
  std::string protocol_params_;

  std::string comparer_name_;
  std::string comparer_params_;

  core::Size residues_considered_;
  core::Size rotamers_recovered_;

  std::string database_name_;
  std::string database_pq_schema_;
  utility::sql_database::sessionOP db_session_;

};

} // namespace rotamer_recovery
} // namespace protocols

#endif // include guard