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)