def testNoMax(self):
with self.assertRaises(NoMaxError) as context:
calc_pka(
read_csv(NO_MAX_RAD_PATH,
data_conv={
FREE_KEY: float,
CORR_KEY: float,
COORD_KEY: float,
}), calc_kbt(EXP_TEMP))
self.assertTrue(NO_MAX_ERR in context.exception.args)
def testGood(self):
pka_val = calc_pka(
read_csv(GOOD_RAD_PATH,
data_conv={
FREE_KEY: float,
CORR_KEY: float,
COORD_KEY: float,
}), calc_kbt(EXP_TEMP))
self.assertAlmostEqual(4.7036736, pka_val[0])
def testNoMax(self):
with self.assertRaises(NoMaxError) as context:
calc_pka(read_csv(NO_MAX_RAD_PATH,
data_conv={FREE_KEY: float, CORR_KEY: float, COORD_KEY: float, }),
calc_kbt(EXP_TEMP))
self.assertTrue(NO_MAX_ERR in context.exception.args)
def testGood(self):
pka_val = calc_pka(read_csv(GOOD_RAD_PATH,
data_conv={FREE_KEY: float, CORR_KEY: float, COORD_KEY: float, }),
calc_kbt(EXP_TEMP))
self.assertAlmostEqual(4.7036736, pka_val[0])