AtomRadiusMap.hh

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// vi: set ts=2 noet:
//
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/// @file   core/scoring/packstat/AtomRadiusMap.hh
///
/// @brief
/// @author


#ifndef INCLUDED_core_scoring_packstat_AtomRadiusMap_hh
#define INCLUDED_core_scoring_packstat_AtomRadiusMap_hh

#include "core/scoring/packstat/types.hh"
#include <core/scoring/packstat/AtomRadiusMap.fwd.hh>


#include <map>
#include <string>

namespace core {
namespace scoring {
namespace packstat {


  /// @brief
class AtomRadiusMap
{

  // friend std::istream & operator>> ( std::istream & in , AtomRadiusMap       & pdb  );
  // friend std::ostream & operator<< ( std::ostream & out, AtomRadiusMap const & pdb  );

public: // Creation

  AtomRadiusMap( int include_water = -1 ); // -1 (default) means read from global options
  ~AtomRadiusMap() {}

  PackstatReal get_radius( std::string type, std::string res ) const;

private:

  std::map< std::pair<std::string const,std::string const>, PackstatReal > type_map_;

}; // AtomRadiusMap


} // namespace packstat
} // namespace scoring
} // namespace core


#endif // INCLUDED_core_scoring_packstat_AtomRadiusMap_HH