<span class="kc">False</span><span class="p">):</span>
        <span class="sd">&quot;&quot;&quot;</span>
<span class="sd">        Instantiation method for FunctionalGroupExtractor.</span>

<span class="sd">        :param molecule: Either a filename, a pymatgen.core.structure.Molecule</span>
<span class="sd">            object, or a pymatgen.analysis.graphs.MoleculeGraph object.</span>
<span class="sd">        :param optimize: Default False. If True, then the input molecule will be</span>
<span class="sd"> 