GrowLigand.hh

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//
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/// @file   protocols/ligand_docking/GrowLigand.hh
///
/// @brief
/// @author Gordon Lemmon


#ifndef INCLUDED_protocols_ligand_docking_GrowLigand_hh
#define INCLUDED_protocols_ligand_docking_GrowLigand_hh

#include <protocols/ligand_docking/GrowLigand.fwd.hh>

#include <core/pose/Pose.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <utility/tag/Tag.fwd.hh>
#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/filters/Filter.fwd.hh>

#include <utility/vector1.hh>



namespace protocols {
namespace ligand_docking {

///@brief
///
///@details
///
class GrowLigand : public protocols::moves::Mover{

public:
  GrowLigand();
  GrowLigand(std::string chain);
  virtual ~GrowLigand();
  GrowLigand(GrowLigand const & that);
  virtual void apply( core::pose::Pose & pose );

  virtual protocols::moves::MoverOP clone() const;
  virtual protocols::moves::MoverOP fresh_instance() const;
  virtual std::string get_name() const;

  void parse_my_tag(
    utility::tag::TagPtr const tag,
    protocols::moves::DataMap &,
    protocols::filters::Filters_map const &,
    protocols::moves::Movers_map const &,
    core::pose::Pose const &
  );


private:
  std::string chain_;

  void
  add_scores_to_job(
    core::pose::Pose & pose
  );

  void set_fragments();
  void fragments_to_string() const;
  utility::vector1< core::conformation::ResidueCOP> fragments_;




}; // class GrowLigand

} // namespace ligand_docking
} // namespace protocols

#endif // INCLUDED_protocols_ligand_docking_GrowLigand_HH