n> <span class="n">func_grps_no_h</span><span class="p">:</span>
            <span class="n">grp_hs</span> <span class="o">=</span> <span class="nb">set</span><span class="p">()</span>
            <span class="k">for</span> <span class="n">node</span> <span class="ow">in</span> <span class="n">func_grp</span><span class="p">:</span>
                <span class="n">neighbors</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">molgraph</span><span class="o">.</s