strange behavior with OpenBabel::OBResidueAtomIter with big residue

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strange behavior with OpenBabel::OBResidueAtomIter with big residue

ivan.petit
Hi

I get a strange result with OpenBabel::OBResidueAtomIter when I loop over a big residue ( ~800 atoms )
The code :

      FOR_RESIDUES_OF_MOL(r, mol)
      {
                FOR_ATOMS_OF_RESIDUE(atm1, &*r)
                {
                        FOR_ATOMS_OF_RESIDUE(atm2, &*r)
                        {
                               if ( atm1->GetIndex() != atm2->GetIndex() && distanceTab[atm1->GetIndex()][atm2->GetIndex()][0] < Rc)
                               {
                                        atomConnectName[atm1->GetIndex()] = atomConnectName[atm1->GetIndex()] +  atm2->GetType() ;
                                        cout << atm1->GetIndex() << " " << atm2->GetIndex() << " " <<  atomConnectName[atm1->GetIndex()] << endl ;
                                }
                        }
                }
       }

return for example
148 546 Si
148 546 SiSi
148 546 SiSiSi
148 546 SiSiSiSi
148 546 SiSiSiSiSi
148 546 SiSiSiSiSiSi
148 634 SiSiSiSiSiSiH
148 634 SiSiSiSiSiSiHH
148 634 SiSiSiSiSiSiHHH
148 634 SiSiSiSiSiSiHHHH
doesn't increment over atoms

but seems work well with small residue

33 78 P
78 33 O
78 43 OO
78 55 OOO
78 67 OOOO
43 78 P
55 78 P
67 78 P


Do you have any ideas about what happens and how to solve it?
Thanks

Ivan

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