def test_database_search(self): mass_fruc_6p = 260.029718526 name = "Fructose 6-phosphate" peakel = Peakel(mass_fruc_6p - 1.007276, 0.0, 0.0, 0.0) peakel.charge = 1 peakel.polarity = -1 peakels = [peakel] db_search = DatabaseSearch('hmdb + lmsd', None) db_search.assign_formula(peakels, ['H1']) m_names = set() for f in peakels: for annot in f.annotations: m_names.add(annot.metabolite.name) self.assertIn(name, m_names)