SetupHotspotConstraintsLoopsMover.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.
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// (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
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/// @file devel/protein_interface_design/movers/SetupHotspotConstraintsLoopsMover.hh
/// @brief Derived classes from DockDesign for dock design
/// @author Sarel Fleishman (sarelf@u.washington.edu)

#ifndef INCLUDED_protocols_protein_interface_design_movers_SetupHotspotConstraintsLoopsMover_hh
#define INCLUDED_protocols_protein_interface_design_movers_SetupHotspotConstraintsLoopsMover_hh

// Project Headers
#include <protocols/protein_interface_design/movers/SetupHotspotConstraintsLoopsMover.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/types.hh>
#include <core/scoring/constraints/Constraint.fwd.hh>

#include <protocols/hotspot_hashing/HotspotStubSet.fwd.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace protein_interface_design {
namespace movers {

class SetupHotspotConstraintsLoopsMover : public protocols::moves::Mover {

public:

  SetupHotspotConstraintsLoopsMover();
  SetupHotspotConstraintsLoopsMover(
      protocols::hotspot_hashing::HotspotStubSetCOP hotspot_stub_set
  );
  //    core::Size const chain_to_design,
  //  core::Real const & CB_force_constant,
  //  core::Real const & worst_allowed_stub_bonus,
  //  bool const apply_self_energies,
  //  core::Real const & bump_cutoff,
  //  bool const apply_ambiguous_constraints,
  //  bool const colonyE

  protocols::moves::MoverOP clone() const;
  protocols::moves::MoverOP fresh_instance() const;

  SetupHotspotConstraintsLoopsMover( SetupHotspotConstraintsLoopsMover const & init );

  core::Size generate_csts( core::pose::Pose const& pose,  core::scoring::constraints::ConstraintCOPs& constraints );
  void apply( core::pose::Pose & pose );
  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 & );
  ~SetupHotspotConstraintsLoopsMover();

  void set_resfile( std::string const& setting ) {
    resfile_ = setting;
  }

private:
  protocols::hotspot_hashing::HotspotStubSetOP hotspot_stub_set_;
  core::Size chain_to_design_;
  core::Real CB_force_constant_;
  core::Real worst_allowed_stub_bonus_;
  bool apply_self_energies_;
  core::Real bump_cutoff_;
  bool apply_ambiguous_constraints_;
  bool colonyE_;
  std::string resfile_;
};

} // movers
} // protein_interface_design
} // devel

#endif /*INCLUDED_protocols_protein_interface_design_movers_SetupHotspotConstraintsLoopsMover_HH*/