DecoyFileData.cc

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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:
// :noTabs=false:tabSize=4:indentSize=4:
//
// (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 core/io/raw_data/DecoyFileData.cc
///
/// @brief Write decoys in "silent" format
/// @author James Thompson, Monica Berrondo

// C++ Headers
#include <iostream>
#include <string>
#include <map>

// mini headers
#include <utility/io/ozstream.hh>

#include <basic/Tracer.hh>
#include <core/io/raw_data/DecoyStruct.hh>
#include <core/io/raw_data/DecoyFileData.hh>

// AUTO-REMOVED #include <core/pose/Pose.hh>

#include <utility/vector1.hh>
#include <utility/file/file_sys_util.hh>


using basic::T;
using basic::Error;
using basic::Warning;

namespace core {
namespace io {
namespace raw_data {

  /// @brief write the given DecoyStruct to the supplied filename.
  bool DecoyFileData::write_struct(
    DecoyStruct s,
    std::map < std::string, core::Real > const & score_map
  ) {
    bool success = false;

    utility::io::ozstream output;
    if ( !utility::file::file_exists( filename_ ) ) {
      output.open( filename_ );
      s.print_header( output, score_map );
    } else {
      output.open_append( filename_ );
    }

    s.print_scores      ( output, score_map );
    s.print_conformation( output );

    return success;
  }


  /// @brief write the given DecoyStruct to the supplied filename.
  bool DecoyFileData::write_pose(
    const core::pose::Pose & pose,
    std::map < std::string, core::Real > const & score_map,
    std::string tag = "empty_tag",
    bool fullatom = false
  ) {
    DecoyStruct s( pose, tag, fullatom );
    bool success = write_struct( s, score_map );
    return success;
  }

} // namespace silent
} // namespace io
} // namespace core