qsarMover.hh

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// 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.
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/// @file   protocols/ligand_docking/qsar/qsarMover.hh
/// @author Sam DeLuca

#ifndef INCLUDED_protocols_qsar_qsarMover_hh
#define INCLUDED_protocols_qsar_qsarMover_hh

#include <protocols/qsar/qsarMover.fwd.hh>
#include <protocols/qsar/qsarMap.fwd.hh>
#include <protocols/moves/Mover.hh>

#include <core/types.hh>

#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/filters/Filter.fwd.hh>

#include <utility/vector1.hh>
#include <utility/tag/Tag.fwd.hh>


namespace protocols {
namespace qsar {

class qsarMover : public protocols::moves::Mover
{
public:
  qsarMover();
  //qsarMover(core::Real width, core::Real resolution);
  virtual void apply(core::pose::Pose & pose);
  virtual void parse_my_tag(utility::tag::TagPtr const tag,
      moves::DataMap & data,
      filters::Filters_map const& filters,
      moves::Movers_map const & movers,
      core::pose::Pose const & pose
  );
  virtual std::string get_name() const;

private:
  qsarMapOP qsar_map_;
  std::string chain_;
  utility::vector1<std::string>  grids_to_use_;
  bool initialize_;
};

}
}

#endif /* QSARMOVER_HH_ */