PlacementMinimizationMover.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:
//
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/// @file protocols/protein_interface_design/movers/PlacementMinimizationMover.hh
/// @brief definition of a class for making the placement auction used by PlaceSimultaneouslyMover
/// @author Sarel Fleishman (sarelf@u.washington.edu)

#ifndef INCLUDED_protocols_protein_interface_design_movers_PlacementMinimizationMover_hh
#define INCLUDED_protocols_protein_interface_design_movers_PlacementMinimizationMover_hh

// Project Headers
#include <core/pose/Pose.fwd.hh>
#include <core/types.hh>
#include <utility/tag/Tag.fwd.hh>
#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/filters/Filter.fwd.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <protocols/protein_interface_design/movers/PlacementMinimizationMover.fwd.hh>
#include <utility/vector1.fwd.hh>

#include <protocols/hotspot_hashing/HotspotStub.fwd.hh>
#include <protocols/hotspot_hashing/HotspotStubSet.fwd.hh>
#include <utility/vector1.hh>

//Auto Headers
#include <protocols/simple_moves/DesignRepackMover.hh>



namespace protocols {
namespace protein_interface_design {
namespace movers {

/// @brief a simple rb-minimization in a bb-stub constraint biased forcefield.
/// Note that this mover is dependent on a placement mover for setting its stubsets
class PlacementMinimizationMover : public simple_moves::DesignRepackMover
{
public:
  typedef std::pair< protocols::hotspot_hashing::HotspotStubSetOP, std::pair< protocols::hotspot_hashing::HotspotStubOP, core::Size > > StubSetStubPos;
public:
  PlacementMinimizationMover();
  void apply( core::pose::Pose & pose );
  virtual std::string get_name() const;
  void refresh_bbstub_constraints( core::pose::Pose & pose );
  protocols::moves::MoverOP clone() const;
  protocols::moves::MoverOP fresh_instance() const;
  virtual 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 & );
//// mutators for Placement movers to copy their internals onto auctionMover
  void host_chain( core::Size const hc );
  //void max_cb_cb_dist( core::Real const mccd );
  void cb_force( core::Real const cf );
  void stub_sets( utility::vector1< StubSetStubPos > const & stub_sets );
  ~PlacementMinimizationMover();
private:
  core::Size host_chain_;
  utility::vector1< StubSetStubPos > stub_sets_;
  core::Real cb_force_;
};

} //movers
} //protein_interface_design
} //protocols

#endif /*INCLUDED_protocols_protein_interface_design_movers_PlacementMinimization_HH*/