def testAppend(self):
if IGNORE_TEST:
return
moiety2 = Moiety(MOIETY_NAME2)
molecule = Molecule(MOIETY_NAME1)
new_molecule = molecule.append(moiety2)
self.assertEqual(new_molecule.name, Molecule(MOLECULE_NAME).name)
def testGetMoietys(self):
if IGNORE_TEST:
return
m_s1 = MoietyStoichiometry(Moiety(MOIETY_NAME1), NUM1)
m_s2 = MoietyStoichiometry(MOIETY_NAME2, NUM2)
m_s3 = MoietyStoichiometry(MOIETY_NAME1, NUM2)
molecule = Molecule(str(m_s1))
molecule = molecule.append(Moiety(str(m_s2)))
moietys = molecule.getMoietys()
expected = [Moiety(MOIETY_NAME1), Moiety(MOIETY_NAME2)]
for moiety in moietys:
self.assertTrue(any([moiety.isEqual(e) for e in expected]))