| # | Line 108 | Line 108 | void Molecule::complete() { | |
|---|---|---|
| 108 | Atom* atom; | |
| 109 | AtomIterator ai; | |
| 110 | for (atom = beginAtom(ai); atom != NULL; atom = nextAtom(ai)) { | |
| 111 | < | if (rigidAtoms.find(*ai) != rigidAtoms.end()) { |
| 111 | > | |
| 112 | > | if (rigidAtoms.find(*ai) == rigidAtoms.end()) { |
| 113 | > | //if an atom does not belong to a rigid body, it is an integrable object |
| 114 | integrableObjects_.push_back(*ai); | |
| 115 | } | |
| 116 | } | |
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