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/dports/science/openbabel/openbabel-3.1.1/src/formats/
H A Dvaspformat.cpp645 std::vector<int> custom_sort_nums; in WriteMolecule() local
652 custom_sort_nums.push_back(OBElements::GetAtomicNum(vs[i].c_str())); in WriteMolecule()
655 compare_sort_items csi(custom_sort_nums, sortAtomsNum != nullptr); in WriteMolecule()