AngstromPositions.h

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#ifndef INCLUDE_MOLASSEMBLER_ANGSTROM_POSITIONS_H
#define INCLUDE_MOLASSEMBLER_ANGSTROM_POSITIONS_H

#include "Molassembler/Types.h"

#include "Utils/Typenames.h"

namespace Scine {
namespace Molassembler {

class MASM_EXPORT AngstromPositions {
public:
  Utils::PositionCollection positions;

  AngstromPositions() = default;
  explicit AngstromPositions(unsigned N);
  explicit AngstromPositions(
    const Utils::PositionCollection& pos,
    LengthUnit lengthUnit = LengthUnit::Bohr
  );

  Utils::PositionCollection getBohr() const;
};

} // namespace molassmbler
} // namespace Scine

#endif