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In [2]: m = Chem.MolFromSmiles('[13CH2]C[O-]')
In [3]: Chem.MolToSmarts(m)
Out[3]: '[13#6H2]-[#6]-[#8-]'
In [4]: ps = Chem.AdjustQueryParameters()
In [5]: ps.adjustDegreeFlags = Chem.AdjustQueryWhichFlags.ADJUST_IGNORENONE
In [6]: ps.adjustDegree = True
In [7]: nm = Chem.AdjustQueryProperties(m,ps)
In [8]: Chem.MolToSmarts(nm)
Out[8]: '[#6&D1]-[#6&D2]-[#8&D1]'
This is actually caused by the fact that the QueryAtom(const Atom &) ctor is doing the wrong thing.
The text was updated successfully, but these errors were encountered:
Description:
This is actually caused by the fact that the
QueryAtom(const Atom &)
ctor is doing the wrong thing.The text was updated successfully, but these errors were encountered: