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src/Actions/FragmentationAction/FragmentationAction.cpp
r5d5550 r0763ce 129 129 BondGraph *BG = World::getInstance().getBondGraph(); 130 130 World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection()); 131 BG->CorrectBondDegree(Set); 131 // check whether bond graph is correct 132 if (!BG->checkBondDegree(Set)) 133 BG->CorrectBondDegree(Set); 134 else 135 LOG(1, "INFO: Bond degrees all valid, not correcting."); 132 136 } 133 137
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