C++ (Cpp) Bond::bondType示例

    void keepAromaticCycles()
    {
      std::vector< std::vector< ref<Atom> > > kept_cycles;
      for(unsigned icycle=0; icycle<molecule()->cycles().size(); ++icycle)
      {
        int ok = true;
        for(unsigned iatom=0; iatom<molecule()->cycle(icycle).size(); ++iatom)
        {
          int iatom2 = (iatom+1) % molecule()->cycle(icycle).size();
          Atom* atom1 = molecule()->cycle(icycle)[iatom].get();
          Atom* atom2 = molecule()->cycle(icycle)[iatom2].get();

          Bond* bond = molecule()->bond(atom1, atom2);
          if (bond && bond->bondType() != BT_Aromatic)
          {
            ok = false;
            break;
          }
        }
        if (ok && molecule()->cycle(icycle).size())
          kept_cycles.push_back(molecule()->cycle(icycle));
      }
      molecule()->cycles() = kept_cycles;
    }