def test_tplot_choice(self):
"""Test choice of points."""
sample = DATA['MCM-41']
filepath = DATA_N77_PATH / sample['file']
isotherm = pygaps.isotherm_from_json(filepath)
res = pygaps.t_plot(isotherm, limits=[0.7, 1.0])
results = res.get('results')
err_relative = 0.1 # 10 percent
err_absolute_area = 0.1 # units
err_absolute_volume = 0.01 # units
assert isclose(results[-1].get('adsorbed_volume'),
sample['t_pore_volume'], err_relative,
err_absolute_area)
assert isclose(results[-1].get('area'), sample['s_t_area'],
err_relative, err_absolute_volume)
def test_tplot(self, sample):
"""Test calculation with several model isotherms."""
sample = DATA[sample]
# exclude datasets where it is not applicable
if sample.get('t_area', None):
filepath = DATA_N77_PATH / sample['file']
isotherm = pygaps.isotherm_from_json(filepath)
res = pygaps.t_plot(isotherm)
results = res.get('results')
err_relative = 0.1 # 10 percent
err_absolute_area = 0.1 # units
err_absolute_volume = 0.01 # units
assert isclose(results[-1].get('adsorbed_volume'),
sample['t_pore_volume'], err_relative,
err_absolute_area)
assert isclose(results[0].get('area'), sample['t_area'],
err_relative, err_absolute_volume)
def test_tplot_output(self):
"""Test verbosity."""
sample = DATA['MCM-41']
filepath = DATA_N77_PATH / sample['file']
isotherm = pygaps.isotherm_from_json(filepath)
pygaps.t_plot(isotherm, 'Halsey', verbose=True)
def test_alphas_checks(self, basic_pointisotherm):
"""Checks for built-in safeguards."""
# Will raise a "no suitable model exception"
with pytest.raises(pgEx.ParameterError):
pygaps.t_plot(basic_pointisotherm, thickness_model='random')