n class="n">molecule</span><span class="p">,</span> <span class="n">MoleculeGraph</span><span class="p">):</span>
            <span class="k">if</span> <span class="n">optimize</span><span class="p">:</span>
                <span class="n">obmol</span> <span class="o">=</span> <span class="n">BabelMolAdaptor</span><span class="p">(</span><span class="n">molecule</span><span class="o">.</span><span class="n">molecule</span><span class="p">)</span>
                <span class="n">obmol</span><span class="o">.