ddGData.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.

#ifndef INCLUDED_protocols_ddg_ddGData_hh
#define INCLUDED_protocols_ddg_ddGData_hh

// Unit header
#include <protocols/ddg/ddGData.fwd.hh>

// Utility headers
#include <utility/pointer/ReferenceCount.hh>

#include <fstream>

#include <core/types.hh>
#include <core/chemical/AA.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <utility/vector1.hh>
#include <map>


namespace protocols{
namespace ddG{

using namespace core;
using namespace scoring;

class ddGData {
public:
  //constructors
  ddGData();

  ddGData(std::string filename);

  //virtual ~ddGData();

  //iterator functions
  bool end();
  void get_next_filenames();
  utility::vector1< pose::Pose > read_mut_data();
  utility::vector1< pose::Pose > read_wt_data();
  core::Real read_exp_data();

private:

  std::string file_to_read_;
  std::string curr_mut_filename;
  std::string curr_wt_filename;
  core::Real experimental;
  bool curr_mut_read;
  bool curr_wt_read;
  std::ifstream inputstream;
};//class ddGData




}//namespace ddG
} //namespace protocols

#endif