ConstraintIO.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 IO-functionality for Constraints
/// @brief
/// @author Oliver Lange olange@u.washington.edu

#ifndef INCLUDED_core_scoring_constraints_ConstraintIO_hh
#define INCLUDED_core_scoring_constraints_ConstraintIO_hh

// Unit headers
#include <core/scoring/constraints/ConstraintSet.fwd.hh>

// Package headers
#include <core/scoring/constraints/Constraint.fwd.hh>
#include <core/scoring/constraints/ConstraintFactory.hh>

// Project headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/constraints/FuncFactory.fwd.hh>
#include <utility/vector1.hh>


//Utility Headers

// C++ Headers

namespace core {
namespace scoring {
namespace constraints {

////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////

class ConstraintIO {
public:
  static ConstraintIO* get_instance();
  static ConstraintSetOP read_constraints(
    std::string const & filename,
    ConstraintSetOP cst_set,
    pose::Pose const& pose
  );
  static ConstraintSetOP read_constraints(
    std::istream & data,
    ConstraintSetOP cst_set,
    pose::Pose const& pose
  );

  static void write_constraints( std::ostream&, ConstraintSet const& cst_set, core::pose::Pose const& );
  static void write_constraints( std::string const& filename, ConstraintSet const& cst_set, core::pose::Pose const& );

  static FuncFactory& get_func_factory(void);
  static ConstraintFactory& get_cst_factory(void);

  static ConstraintOP parse_atom_pair_constraint(
    std::istream & data,
    core::pose::Pose pose
  );

  static ConstraintSetOP read_constraints_new(
    std::string const & fname,
    ConstraintSetOP cset,
    pose::Pose const & pose
  );

  static ConstraintSetOP read_constraints_new(
    std::istream & data,
    ConstraintSetOP cset,
    pose::Pose const & pose
  );

  ///@brief read one individual constraint defined.
  static ConstraintOP read_individual_constraint_new(
    std::istream & data,
    core::pose::Pose const& pose,
    FuncFactory const & func_factory
  );

  ///@brief read one individual constraint defined.
  static ConstraintOP read_individual_constraint_new(
    std::istream & data,
    core::pose::Pose const& pose,
    FuncFactory const & func_factory,
    std::string type /*cst -type*/
  );

  static ConstraintOP parse_coordinate_constraint(
    std::istream & data,
    core::pose::Pose pose
  );

  static void parse_residue(
    pose::Pose const& pose,
    std::string const residue_string,
    Size & residue_num
  );

  // gkt - tmp hack for BoundFunc, should be private
protected:
  static void read_cst_bindingsites( std::istream &data, std::string& next_section,  ConstraintSet&, pose::Pose const&  );
  static void read_cst_atom_pairs( std::istream &data, std::string& next_section,  ConstraintSet&, pose::Pose const&  );
  static void read_cst_coordinates( std::istream &data, std::string& next_section,  ConstraintSet&, pose::Pose const&  );
  static void read_cst_angles( std::istream &data, std::string& next_section,  ConstraintSet&, pose::Pose const&  );


private:
  ConstraintIO () {};
  static ConstraintIO* instance_;
  static FuncFactory func_factory_;
  //static ConstraintFactory cst_factory_;
};

} //constraints
} //scoring
} //core

#endif