def testMakeFromDct(self): if IGNORE_TEST: return config.setConfiguration(TEST_CFG_FILE) config_dct = config.getConfiguration() dct = config_dct[cn.CFG_MOIETY_STRUCTURE] mss1 = MoietyStoichiometry.makeFromDct(dct["ATP"]) mss2 = [MoietyStoichiometry("A", 1), MoietyStoichiometry("P", 3)] self.assertTrue(all([m1.isEqual(m2) for m1, m2 in zip(mss1, mss2)]))
def moiety_stoichiometrys(self): done = False if self._moiety_stoichiometrys is None: config_dct = config.getConfiguration() if cn.CFG_MOIETY_STRUCTURE in config_dct: dct = config_dct[cn.CFG_MOIETY_STRUCTURE] if self.name in dct.keys(): self._moiety_stoichiometrys = \ MoietyStoichiometry.makeFromDct(dct[self.name]) done = True else: done = True if not done: new_name = self._reformat() stgs = new_name.split(cn.MOIETY_DOUBLE_SEPARATOR) result = [MoietyStoichiometry.make(ms) for ms in stgs] result.sort() self._moiety_stoichiometrys = result return self._moiety_stoichiometrys