# | 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; |
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