MultipoleMultipoleInteractionContainer.h

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#ifndef SPARROW_MULTIPOLEMULTIPOLEINTERACTIONCONTAINER_H
#define SPARROW_MULTIPOLEMULTIPOLEINTERACTIONCONTAINER_H

#include "MultipoleMultipoleInteraction.h"
#include "multipoleTypes.h"
#include <array>

namespace Scine {
namespace Sparrow {
namespace nddo {
namespace multipole {

class MultipoleMultipoleInteractionContainer {
 public:
  using InteractionLists = std::array<std::array<MultipoleMultipoleInteraction, 13>, 13>;

  template<Utils::DerivativeOrder O>
  static Utils::AutomaticDifferentiation::Value1DType<O> calculate(Multipole m1, Multipole m2, double R, double D1,
                                                                   double d2, double squaredRhos);
  static const MultipoleMultipoleInteraction& get(Multipole m1, Multipole m2);

 private:
  // Generates the list of monopoles. Is called to generate a static storage object.
  static InteractionLists generateTermLists();
  // Generates the charge configurations of the multipoles and constructs a MultipoleMultipoleInteraction based on it.
  static MultipoleMultipoleInteraction termList(Multipole m1, Multipole m2);
};

inline const MultipoleMultipoleInteraction& MultipoleMultipoleInteractionContainer::get(Multipole m1, Multipole m2) {
  static InteractionLists termLists = generateTermLists();
  return termLists[static_cast<int>(m1)][static_cast<int>(m2)];
}

} // namespace multipole
} // namespace nddo
} // namespace Sparrow
} // namespace Scine

#endif // SPARROW_MULTIPOLEMULTIPOLEINTERACTIONCONTAINER_H