PlaceSurfaceProbe.hh

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// vi: set ts=2 sw=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 protocols/hotspot_hashing/movers/PlaceSurfaceProbe.hh
/// @brief
/// @author Alex Ford fordas@uw.edu

#ifndef INCLUDED_protocols_hotspot_hashing_movers_PlaceSurfaceProbe_hh
#define INCLUDED_protocols_hotspot_hashing_movers_PlaceSurfaceProbe_hh


// Project Headers
#include <string>

#include <utility/tag/Tag.fwd.hh>

#include <core/conformation/Residue.fwd.hh>
#include <core/kinematics/Stub.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/task/TaskFactory.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.hh>

#include <protocols/hotspot_hashing/SearchPattern.fwd.hh>
#include <protocols/hotspot_hashing/movers/PlaceProbeMover.hh>
#include <protocols/hotspot_hashing/movers/PlaceSurfaceProbe.fwd.hh>
#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/moves/Mover.hh>


// Unit headers

namespace protocols
{
namespace hotspot_hashing
{
namespace movers
{

class PlaceSurfaceProbe : public protocols::hotspot_hashing::movers::PlaceProbeMover, virtual public protocols::moves::Mover
{
  public:
    PlaceSurfaceProbe();

    PlaceSurfaceProbe(
      std::string residue_name,
      core::Real search_density,
      core::Real x_angle_sampling,
      core::Real y_angle_sampling,
      core::Real refinement_distance_sampling,
      core::Real refinement_distance,
      core::Real refinement_translation_sampling,
      core::conformation::ResidueCOP target_residue,
      core::pack::task::TaskFactoryOP surface_selection = NULL,
      core::Size search_partition = 1,
      core::Size total_search_partition = 1);

    virtual std::string get_name() const { return "PlaceSurfaceProbe"; }

    virtual protocols::moves::MoverOP clone() 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 &);

    virtual bool reinitialize_for_new_input() const { return false; }

  protected:
    virtual SearchPatternOP create_search_pattern(core::pose::Pose const & target_pose);
    virtual SearchPatternOP create_partitioned_search_pattern(core::pose::Pose const & target_pose);
    virtual SearchPatternOP create_refinement_pattern(core::pose::Pose const & target_pose, core::Size target_residue);

  private:

    core::pack::task::TaskFactoryOP surface_selection_;

    core::Real search_density_;
    core::Real coarse_angle_sampling_;
    core::Real coarse_sampling_;

    core::Real refinement_distance_;
    core::Real refinement_angle_sampling_;
    core::Real refinement_sampling_;

    SearchPatternOP initialize_refinement_pattern();
    SearchPatternOP refinement_pattern_;
};

}
}
}

#endif