CheckPointer.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 CheckPointer
/// @brief Application-level code for Abrelax, fold_cst and JumpingFoldCst protocols
/// @detailed
///    use -help to see options
///    usage of class:
///
/// @author Mike Tyka
/// @author Oliver Lange

#ifndef INCLUDED_protocols_checkpoint_CheckPointer_hh
#define INCLUDED_protocols_checkpoint_CheckPointer_hh

// Unit Headers

// Package Headers

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

#ifdef WIN32
#include <protocols/moves/MonteCarlo.hh>
#endif

#include <protocols/checkpoint/CheckPointer.fwd.hh>
#include <utility/pointer/ReferenceCount.hh>


// ObjexxFCL Headers

// Utility headers

//// C++ headers
// AUTO-REMOVED #include <string>
// AUTO-REMOVED #include <vector>

#include <protocols/moves/MonteCarlo.fwd.hh>
#include <utility/vector1.hh>
#include <ostream>


namespace protocols {
namespace checkpoint {

class FileBuffer {
 public:
  FileBuffer( const std::string filename, bool gzipped = false ):
    filename_( filename ),
    gzipped_( gzipped )
  {

  }


  void set_contents(const std::string &contents ){ contents_ = contents; }

  void dump();

  core::Size size(){ return contents_.length(); }

 private:
  std::string filename_;
  bool gzipped_;
  std::string contents_;
};



class CheckPointer : public utility::pointer::ReferenceCount {
public:
  CheckPointer( std::string const& type );

  virtual ~CheckPointer() {
    clear_checkpoints();
  }

  void clear_checkpoints();

  void flush_checkpoints();

  bool recover_checkpoint(
    core::pose::Pose &pose,
    moves::MonteCarlo *mc,
    std::string const& current_tag,
    std::string const& id,
    bool fullatom = false,
    bool foldtree = false
  );

  bool recover_checkpoint(
    core::pose::Pose &pose,
    moves::MonteCarloOP mc,
    std::string const& current_tag,
    std::string const& id,
    bool fullatom = false,
    bool foldtree = false
  )
  {
    return recover_checkpoint( pose, &(*mc), current_tag, id, fullatom, foldtree );
  }

  bool recover_checkpoint(
    core::pose::Pose &pose,
    std::string const& current_tag,
    std::string const& id,
    bool fullatom = false,
    bool foldtree = false
  )
  {
    return recover_checkpoint( pose, NULL, current_tag, id, fullatom, foldtree );
  }

  void checkpoint(
    core::pose::Pose &pose,
    moves::MonteCarlo *mc,
    std::string const& current_tag,
    std::string const& id,
    bool foldtree = false
  );

  void checkpoint(
    core::pose::Pose &pose,
    moves::MonteCarloOP mc,
    std::string const& current_tag,
    std::string const& id,
    bool foldtree = false
  ){
    checkpoint( pose, &(*mc), current_tag, id, foldtree );
  }

  void checkpoint(
    core::pose::Pose &pose,
    std::string const& current_tag,
    std::string const& id,
    bool foldtree = false
  ){
    checkpoint( pose, NULL, current_tag, id, foldtree );
  }



  std::string const& type() const {
    return type_;
  }

  void set_type( const std::string &new_type) {
    type_ = new_type;
  }


  /// print checksum data
  void debug( const std::string &tag, const std::string &label, core::Real data1, core::Real data2=0.0, core::Real data3=0.0 ) const;

  void set_disabled( bool value = true ){ disabled_ = value; }
  bool get_disabled() const { return disabled_; }

  core::Size get_checkpoint_recoveries() const { return count_checkpoint_recoveries_; }
private:
  std::string type_;
  std::vector< std::string > checkpoint_ids_;

  bool disabled_;
  bool delete_checkpoints_;
  core::Size count_checkpoint_recoveries_;


  core::Size file_buffer_size();

  std::vector < FileBuffer > file_buffer;


};

}
}

#endif