| # | Line 146 | Line 146 | bool SimInfo::addMolecule(Molecule* mol) { | |
|---|---|---|
| 146 | nCutoffGroups_ += mol->getNCutoffGroups(); | |
| 147 | nConstraints_ += mol->getNConstraints(); | |
| 148 | ||
| 149 | + | addExcludePairs(mol); |
| 150 | + | |
| 151 | return true; | |
| 152 | } else { | |
| 153 | return false; | |
| # | Line 169 | Line 171 | bool SimInfo::removeMolecule(Molecule* mol) { | |
| 171 | nCutoffGroups_ -= mol->getNCutoffGroups(); | |
| 172 | nConstraints_ -= mol->getNConstraints(); | |
| 173 | ||
| 174 | + | removeExcludePairs(mol); |
| 175 | molecules_.erase(mol->getGlobalIndex()); | |
| 176 | ||
| 177 | delete mol; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |