If we are maintaining a tinygraph obj that keeps track of hydrogens using the explicit_h prop, then if we export to RDKit mol using to_rdkit_mol we should also also set no_implicit on the atoms that have it, right? I was thinking something like
if explicit_h_prop is not None:
atom.SetNumExplicitHs(int(g.v[explicit_h_prop][i]))
atom.SetNoImplicit(True)
|
if explicit_h_prop is not None: |
If we are maintaining a tinygraph obj that keeps track of hydrogens using the
explicit_hprop, then if we export to RDKit mol usingto_rdkit_molwe should also also set no_implicit on the atoms that have it, right? I was thinking something liketinygraph/tinygraph/io/rdkit.py
Line 116 in f163816