def testGetMoietys(self):
m_ss = []
for stgs in MOIETY_STOICHIOMETRY_STGS.values():
m_ss.extend([MoietyStoichiometry.make(s) for s in stgs])
moietys = MoietyStoichiometry.getMoietys(m_ss)
self.assertEqual(len(MOIETY_STOICHIOMETRY_STGS.keys()),
len(moietys))
def testMake(self):
if IGNORE_TEST:
return
for expected, strings in MOIETY_STOICHIOMETRY_STGS.items():
for stg in strings:
result = MoietyStoichiometry.make(stg)
self.assertEqual(result.moiety.name, expected[0])
self.assertEqual(result.stoichiometry, expected[1])
def getMoietyStoichiometrys(self): """ :return list-MoietyStoichiometry: """ new_name = self._reformat() stgs = new_name.split(cn.MOIETY_DOUBLE_SEPARATOR) result = [MoietyStoichiometry.make(ms) for ms in stgs] result.sort() return result
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