ClassicGrid.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   src/protocols/qsar/scoring_grid/ClassicGrid.hh
/// @author Sam DeLuca

#ifndef INCLUDED_protocols_qsar_scoring_grid_ClassicGrid_HH
#define INCLUDED_protocols_qsar_scoring_grid_ClassicGrid_HH

#include <protocols/qsar/scoring_grid/ClassicGrid.fwd.hh>
#include <protocols/qsar/scoring_grid/SingleGrid.hh>

#include <utility/vector1.hh>

namespace protocols {
namespace qsar {
namespace scoring_grid {

class ClassicGrid : public SingleGrid
{
public:
  ClassicGrid();
  virtual void refresh(core::pose::Pose const & pose, core::Vector const & center, core::Size const & ligand_chain_id_to_exclude);
  virtual void refresh(core::pose::Pose const & pose, core::Vector const & center);
  virtual void refresh(core::pose::Pose const & pose, core::Vector const & center, utility::vector1<core::Size> ligand_chain_ids_to_exclude);

  /// @brief serialize the SingleGrid to a json_spirit object
  virtual utility::json_spirit::Value serialize();
  /// @brief deserialize a json_spirit object to a SingleGrid
  virtual void deserialize(utility::json_spirit::mObject data);

  void parse_my_tag(utility::tag::TagPtr const tag);

private:
  core::Real atr_radius_;
  core::Real rep_radius_;
};

}
}
}


#endif /* CLASSICGRID_HH_ */