ObjectWithStructure.h

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#ifndef CORE_OBJECTWITHSTRUCTURE_H
#define CORE_OBJECTWITHSTRUCTURE_H

#include <Eigen/Core>
#include <memory>

namespace Scine {
namespace Utils {
using PositionCollection = Eigen::Matrix<double, Eigen::Dynamic, 3, Eigen::RowMajor>;
class AtomCollection;
} // namespace Utils
namespace Core {

class ObjectWithStructure {
 public:
  ObjectWithStructure() = default;
  virtual ~ObjectWithStructure() = default;

  virtual void setStructure(const Utils::AtomCollection& structure) = 0;
  virtual std::unique_ptr<Utils::AtomCollection> getStructure() const = 0;
  virtual void modifyPositions(Utils::PositionCollection newPositions) = 0;
  virtual const Utils::PositionCollection& getPositions() const = 0;
};

} // namespace Core
} // namespace Scine

#endif // CORE_OBJECTWITHSTRUCTURE_H