SearchPatternRotSetOp.hh

Go to the documentation of this file.

// -*- 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   protocols/hotspot_hashing/SearchPatternRotSetOp.hh
/// @brief  Creates rigid body variants from search pattern during repacking.
/// @author Alex Ford (fordas@uw.edu)

#ifndef INCLUDED_protocols_hotspot_hashing_SearchPatternRotSetOp_hh
#define INCLUDED_protocols_hotspot_hashing_SearchPatternRotSetOp_hh

// Unit Headers
#include <protocols/toolbox/rotamer_set_operations/RigidBodyMoveRotSetOps.hh>
#include <core/pack/rotamer_set/RotamerSetOperation.hh>

//Project headers
#include <core/kinematics/Stub.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/graph/Graph.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/task/operation/TaskOperation.hh>
#include <core/pack/rotamer_set/RotamerSetOperation.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <protocols/hotspot_hashing/SearchPattern.hh>
#include <protocols/hotspot_hashing/SearchPatternRotSetOp.fwd.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace hotspot_hashing {

class SearchPatternRotSetOp : public protocols::toolbox::rotamer_set_operations::RigidBodyMoveBaseRSO
{
public:
  typedef protocols::toolbox::rotamer_set_operations::RigidBodyMoveBaseRSO parent;

  SearchPatternRotSetOp( SearchPatternOP pattern );
  SearchPatternRotSetOp( SearchPatternRotSetOp const & other );

  virtual
  core::pack::rotamer_set::RotamerSetOperationOP
  clone() const;

  virtual
  utility::vector1< core::conformation::ResidueCOP > get_rigid_body_confs(
    core::pose::Pose const & pose,
    core::pack::task::PackerTask const & ptask,
    core::Size residue_index);

  virtual
  core::Real increase_packer_residue_radius(
    core::pose::Pose const & pose,
    core::pack::task::PackerTaskCOP,
    core::Size residue_index
  );

private:
  utility::vector1<core::kinematics::Stub> search_stubs_;

};

class AddSearchPatternRotSetOp : public core::pack::task::operation::TaskOperation
{
  public:
    AddSearchPatternRotSetOp(core::Size target_residue, SearchPatternOP pattern);
    ~AddSearchPatternRotSetOp();

    virtual core::pack::task::operation::TaskOperationOP clone() const;

    void parse_tag( TagPtr tag );

    virtual void apply( core::pose::Pose const &, core::pack::task::PackerTask & ) const;

  private:
    core::Size target_residue_;
    SearchPatternOP pattern_;
};

}
}

#endif