ResidueKinWriter.hh

Go to the documentation of this file.

// -*- 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.

/// @brief  Class to write kinemage-formatted output for Residue and Conformation
/// @file   core/conformation/ResidueKinWriter.hh
/// @author Andrew Leaver-Fay

#ifndef INCLUDED_core_conformation_ResidueKinWriter_hh
#define INCLUDED_core_conformation_ResidueKinWriter_hh


// Unit headers
#include <core/conformation/ResidueKinWriter.fwd.hh>

// Package headers
#include <core/conformation/Residue.fwd.hh>
#include <core/conformation/Conformation.fwd.hh>
#include <core/types.hh>

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

// C++ headers
#include <iosfwd>
#include <string>

namespace core {
namespace conformation {

void write_kinemage_header(
  std::ostream & ostr,
  Size const kin_number,
  std::string const & title,
  Vector const & ctr
);

class ResidueKinWriter : public utility::pointer::ReferenceCount
{
public:
  typedef core::Size   Size;

public:
  ResidueKinWriter();
  virtual ~ResidueKinWriter();

  /// @brief write the header for the kinemage to center on this residue
  void write_kin_header(
    std::ostream & ostr,
    core::conformation::Residue const & rsd,
    core::Size atom_to_center_on = 0, // keep this 0 to center the kinemage on the neighbor atom
    core::Size which_kin = 1 // multiple kineamges can be put in a single kinemage file.
  ) const;

  /// @brief Write out the coordinates for a particular residue; the kinemage tag
  /// is assumed to have been writen already.
  void
  write_rsd_coords(
    std::ostream & ostr,
    core::conformation::Residue const & rsd,
    bool is_instance = false
  ) const;

  void master(    std::string const & setting );
  void dominant(                 bool setting );
  void animate(                  bool setting );
  void group(                    bool setting );
  void write_virtual_atoms(      bool setting );

  /// @brief Calling this function with the setting "true", turns on polar, apolar, and backbone hydrogen writing.
  /// Calling this function with the setting "false", turns off polar, apolar, and backbone hydrogen writing.
  void write_hydrogens(          bool setting );

  void write_apolar_hydrogens(   bool setting );
  void write_polar_hydrogens(    bool setting );
  void write_backbone_hydrogens( bool setting );

private:
  std::string master_;
  bool dominant_;
  bool animate_;
  bool group_; // false for subgroup
  bool write_apolar_hydrogens_;
  bool write_polar_hydrogens_;
  bool write_backbone_hydrogens_;
  bool write_virtual_atoms_;
};

class ConformationKinWriter : public utility::pointer::ReferenceCount
{
public:
  virtual ~ConformationKinWriter();

  /// @brief Write out the coordinates for an entire conformation; this includes
  /// inter-residue bonds that would be missed by the ResidueKinWriter.
  void
  write_coords(
    std::ostream & ostr,
    core::conformation::Conformation const & conf,
    bool is_instance = false
  ) const;

  void write_virtual_atoms( bool setting );
  void master( std::string const & setting );

private:

  std::string master_;
  bool write_virtual_atoms_;

};


} // conformation
} // core



#endif