def test_da_display(self, file, exp_vol, exp_pot):
"""Test isotherm display."""
if exp_vol is None:
return
filepath = os.path.join(DATA_N77_PATH, file)
with open(filepath, 'r') as text_file:
isotherm = pygaps.isotherm_from_json(text_file.read())
pygaps.da_plot(isotherm, verbose=True)
def test_da_plot(self, file, exp_vol, exp_pot):
"""Test calculation with takeda isotherm."""
if exp_vol is None:
return
filepath = os.path.join(DATA_N77_PATH, file)
with open(filepath, 'r') as text_file:
isotherm = pygaps.isotherm_from_json(text_file.read())
res = pygaps.da_plot(isotherm, limits=[0, 0.01])
da_vol = res.get("pore_volume")
da_pot = res.get("adsorption_potential")
err_relative = 0.05 # 5 percent
err_absolute = 0.01 # 0.01 cm3/g
assert isclose(da_vol, exp_vol, err_relative, err_absolute)
assert isclose(da_pot, exp_pot, err_relative, err_absolute)
def test_da_plot(self, sample):
"""Test calculation with several model isotherms."""
sample = DATA[sample]
# exclude datasets where it is not applicable
if sample.get('da_volume', None):
filepath = os.path.join(DATA_N77_PATH, sample['file'])
isotherm = pygaps.isotherm_from_jsonf(filepath)
res = pygaps.da_plot(isotherm, limits=[0, 0.01])
da_vol = res.get("pore_volume")
da_pot = res.get("adsorption_potential")
err_relative = 0.05 # 5 percent
err_absolute = 0.01 # 0.01 cm3/g
assert isclose(da_vol, sample['da_volume'], err_relative,
err_absolute)
assert isclose(da_pot, sample['da_potential'], err_relative,
err_absolute)
def test_da_output(self):
"""Test verbosity."""
sample = DATA['Takeda 5A']
filepath = os.path.join(DATA_N77_PATH, sample['file'])
isotherm = pygaps.isotherm_from_jsonf(filepath)
pygaps.da_plot(isotherm, verbose=True)
def test_dr_checks(self, basic_pointisotherm):
"""Checks for built-in safeguards."""
# Will raise a "no reference isotherm error"
with pytest.raises(pygaps.ParameterError):
pygaps.da_plot(basic_pointisotherm, exp=-2)