OpenBabel to molecule conversion fails with AtomTypeError

[rwest]

Not sure if the problem is with the writing or the reading.

I had a molecule in an RMG run that was turned into the smiles c1(C=C)coo1
but when you try to turn that back into a molecule, you get:

  File "molecule.py", line 928, in rmgpy.molecule.molecule.Molecule.fromSMILES (build/pyrex/rmgpy/molecule/molecule.c:15015)
  File "molecule.py", line 940, in rmgpy.molecule.molecule.Molecule.fromSMILES (build/pyrex/rmgpy/molecule/molecule.c:14948)
  File "molecule.py", line 1006, in rmgpy.molecule.molecule.Molecule.fromOBMol (build/pyrex/rmgpy/molecule/molecule.c:15692)
  File "molecule.py", line 713, in rmgpy.molecule.molecule.Molecule.updateAtomTypes (build/pyrex/rmgpy/molecule/molecule.c:11598)
  File "atomtype.py", line 233, in rmgpy.molecule.atomtype.getAtomType (build/pyrex/rmgpy/molecule/atomtype.c:3917)
  File "atomtype.py", line 285, in rmgpy.molecule.atomtype.getAtomType (build/pyrex/rmgpy/molecule/atomtype.c:3796)
rmgpy.molecule.atomtype.AtomTypeError: Unable to determine atom type for atom O.

Same thing for the equivalent SMILES string C1(=COO1)C=C (converted via NCI/CADD resolver), which makes me think the problem is with reading, rather than writing.

I think the correct adjacency list is

1 C 0 {2,D} {4,S} {5,S}
2 C 0 {1,D} {3,S}
3 O 0 {2,S} {4,S}
4 O 0 {1,S} {3,S}
5 C 0 {1,S} {6,D}
6 C 0 {5,D}

[rwest]

Closed by #135.