| 60 |  | nObjects_.push_back(info_->getNGlobalBends()); | 
| 61 |  | nObjects_.push_back(info_->getNGlobalTorsions()); | 
| 62 |  | nObjects_.push_back(info_->getNGlobalInversions()); | 
| 63 | + | nObjects_.push_back(info_->getNGlobalMolecules()); | 
| 64 | + |  | 
| 65 |  | loadNames(); | 
| 66 |  | } | 
| 67 |  |  | 
| 95 |  |  | 
| 96 |  | std::string molName = mol->getMoleculeName(); | 
| 97 |  | TreeNode* molNode = createNode(root_, molName); | 
| 98 | + | molNode->bs.bitsets_[MOLECULE].setBitOn(mol->getGlobalIndex()); | 
| 99 |  |  | 
| 100 |  | for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { | 
| 101 |  | std::string atomName = atom->getType(); |