OverlappingAtomIds.h

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/******************************************************************************
 * Copyright (c) 2021.                                                        *
 * The Regents of the University of Michigan and DFT-EFE developers.          *
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 * This file is part of the DFT-EFE code.                                     *
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 *   See the Lesser GNU General Public License for more details.              *
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/*
 * @author Avirup Sircar
 */
 
#ifndef dftefeOverlappingAtomIds_h
#define dftefeOverlappingAtomIds_h
 
#include <utils/TypeConfig.h>
#include <map>
#include <string>
#include <atoms/AtomSphericalDataContainer.h>
#include <atoms/SphericalData.h>
namespace dftefe
{
  namespace atoms
  {
    template <unsigned int dim>
    class OverlappingAtomIds
    {
    public:
      OverlappingAtomIds(const std::vector<std::string, utils::Point>
                           &                 mapAtomSymbolToCoordinates,
                         const std::string   fieldName,
                         const utils::Point &minbound,
                         const utils::Point &maxbound);
 
      ~OverlappingAtomIds() = default;
 
      std::vector<size_type>
      getOverlappingAtomIdsWithinBox() const;
 
    private:
      std::map<std::string, utils::Point> d_mapAtomSymbolToCoordinates;
      std::string                         d_fieldName;
      utils::Point                        d_minbound;
      utils::Point                        d_maxbound;
    }; // end of class OverlappingAtomIds
  }    // end of namespace atoms
} // end of namespace dftefe
#include <atoms/OverlappingAtomIds.t.cpp>
#endif // dftefeOverlappingAtomIds_h