oneCenterIntegralContainer.h

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#ifndef SPARROW_ONECENTERINTEGRALCONTAINER_H
#define SPARROW_ONECENTERINTEGRALCONTAINER_H

#include <Utils/Geometry/ElementInfo.h>
#include <memory>
#include <vector>

namespace Scine {

namespace Utils {
enum class ElementType : unsigned;
}

namespace Sparrow {

namespace nddo {
class OneCenterTwoElectronIntegrals;

class OneCenterIntegralContainer {
 public:
  using integralMatrix_t = std::unique_ptr<OneCenterTwoElectronIntegrals>;
  using Container = std::vector<integralMatrix_t>;

  OneCenterIntegralContainer();
  ~OneCenterIntegralContainer();

  void clear();

  void set(Utils::ElementType e, integralMatrix_t mat);
  const OneCenterTwoElectronIntegrals& get(Utils::ElementType e) const;

 private:
  Container matrices_;
};

inline const OneCenterTwoElectronIntegrals& OneCenterIntegralContainer::get(Utils::ElementType e) const {
  return *matrices_[Utils::ElementInfo::Z(e)];
}

} // namespace nddo

} // namespace Sparrow
} // namespace Scine
#endif // SPARROW_ONECENTERINTEGRALCONTAINER_H