add_special_bonds.h

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#ifndef ADD_SPECIAL_BONDS_H
#define ADD_SPECIAL_BONDS_H

#include <adders/adder.h>

class AddSpecialBonds : public Adder {
  Map<int,Vec<Vec<int>>> mol_type_to_sbonds_list_in_mol;
 protected:
  virtual void compute_impl(
    Json &data,
    JsonToVoidFunc check_required_keys,
    JsonToBoolFunc check_optional_keys) override;
 public:
  AddSpecialBonds(
    const ElPtr &el_mols,
    const Vec<Vec<int>> &scheme);
  AddSpecialBonds(
    const ElPtr &el_mols,
    const Map<int,Vec<Vec<int>>> &type_to_scheme);
  virtual ~AddSpecialBonds() = default;
};

#endif