angle.hpp

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#include "../utils/fwd_declares.hpp"

#include <array>
#include <memory>

#ifndef INDIGOX_CLASSES_ANGLE_HPP
#define INDIGOX_CLASSES_ANGLE_HPP

namespace indigox {
  class Angle {
    friend class indigox::Molecule;
    friend class cereal::access;

  public:
    using AngleAtoms = std::array<Atom, 3>;

  private:
    template <typename Archive>
    void serialise(Archive &archive, const uint32_t version);

  public:
    INDIGOX_GENERIC_PIMPL_CLASS_DEFAULTS(Angle);
    INDIGOX_GENERIC_PIMPL_CLASS_OPERATORS(Angle, ang);

  private:
    Angle(const Atom &a, const Atom &b, const Atom &c, const Molecule &m);

  public:
    bool HasType() const;

    constexpr int64_t NumAtoms() const { return 3; }

    int64_t GetTag() const;

    int64_t GetID() const;

    const Molecule &GetMolecule() const;

    const AngleAtoms &GetAtoms() const;

    int64_t GetIndex() const;

    const FFAngle &GetType() const;

    void SetType(const FFAngle &type);

  private:
    void Reset();

  private:
    struct Impl;
    std::shared_ptr<Impl> m_data;
  };
} // namespace indigox

#endif /* INDIGOX_CLASSES_ANGLE_HPP */