# | Line 112 | Line 112 | void Molecule::complete() { | |
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112 | //element that is contained in [allAtoms.begin(), allAtoms.end()) and not contained in | |
113 | //[rigidAtoms.begin(), rigidAtoms.end()). | |
114 | std::set_difference(allAtoms.begin(), allAtoms.end(), rigidAtoms.begin(), rigidAtoms.end(), | |
115 | < | std::back_inserter(integrableObjects_)); |
115 | > | std::back_inserter(integrableObjects_.end())); |
116 | ||
117 | if (integrableObjects_.size() != allAtoms.size() - rigidAtoms.size()) { | |
118 | //Some atoms in rigidAtoms are not in allAtoms, something must be wrong |
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