def test_ET_config_duplicate_ET_labels():
data = data_branch_ok + '''energy_transfer:
CR50:
process: Tm(1G4) + Tm(3H6) -> Yb(3H4) + Tm(3H5)
multipolarity: 6
strength: 8.87920884e+08
CR50:
process: Yb(ES) + Tm(3H6) -> Yb(GS) + Tm(3H5)
multipolarity: 8
strength: 1e3
'''
with pytest.raises(SettingsValueError) as excinfo: # duplicate labels
with temp_config_filename(data) as filename:
settings.load(filename)
assert excinfo.match(r"Duplicate label")
assert excinfo.type == SettingsValueError
def test_lattice_radius():
data = data_lattice_full + '''states:
asd: dsa
excitations:
asd: dsa
sensitizer_decay:
asd: dsa
activator_decay:
asd: dsa'''
data = data.replace('N_uc: 8', 'radius: 100.0')
with pytest.raises(SettingsValueError) as excinfo: # ok, error later
with temp_config_filename(data) as filename:
settings.load(filename)
assert excinfo.match(r'Error validating section "states"')
assert excinfo.match(r'"sensitizer_ion_label" not in dictionary')
assert excinfo.type == SettingsValueError
def test_branch_config_value_above_1():
data = data_decay_ok + '''
activator_branching_ratios:
3H5->3F4: 1.4
3H4->3F4: 0.3
3F3->3H4: 0.999
1G4->3F4: 0.15
1G4->3H5: 0.16
1G4->3H4: 0.04
1G4->3F3: 0.00
1D2->3F4: 0.43
'''
with pytest.raises(SettingsValueError) as excinfo: # value above 1.0
with temp_config_filename(data) as filename:
settings.load(filename)
assert excinfo.match(r'cannot be larger than 1')
assert excinfo.type == SettingsValueError
def test_branch_config_wrong_label():
data = data_decay_ok + '''
activator_branching_ratios:
3H->3F4: 0.4
3H4->3F4: 0.3
3F3->3H4: 0.999
1G4->3F4: 0.15
1G4->3H5: 0.16
1G4->3H4: 0.04
1G4->3F3: 0.00
1D2->3F4: 0.43
'''
with pytest.raises(settings.LabelError) as excinfo: # wrong state label
with temp_config_filename(data) as filename:
settings.load(filename)
assert excinfo.match(r"is not a valid state label")
assert excinfo.type == settings.LabelError
def test_decay_missing_A_state():
data = data_abs_ok + '''sensitizer_decay:
# lifetimes in s
ES: 1e-3
activator_decay:
3F4: 12e-3
3H5: 25e-6
3H4: 2e-3
3F3: 2e-6
1G4: 760e-6
'''
with pytest.raises(SettingsValueError) as excinfo: # 1D2 state missing
with temp_config_filename(data) as filename:
settings.load(filename)
assert excinfo.match(r"All activator states must have a decay rate")
assert excinfo.type == SettingsValueError
def test_decay_ok():
data = data_abs_ok + '''sensitizer_decay:
# lifetimes in s
ES: dsa
activator_decay:
3F4: 12e-3
3H5: 25e-6
3H4: 2e-3
3F3: 2e-6
1G4: 760e-6
1D2: 67.5e-6
'''
with pytest.raises(SettingsValueError) as excinfo: # decay rate is string
with temp_config_filename(data) as filename:
settings.load(filename)
assert excinfo.match(r"does not have the right type")
assert excinfo.type == SettingsValueError
def test_decay_config5():
data = data_abs_ok + '''sensitizer_decay:
# lifetimes in s
ES: 1e-3
activator_decay:
# lifetimes in s
34: 12e-3
3H5: 25e-6
3H4: 2e-3
3F3: 2e-6
1G4: 760e-6
1D2: 67.5e-6
'''
with pytest.raises(settings.LabelError) as excinfo: # wrong state label
with temp_config_filename(data) as filename:
settings.load(filename)
assert excinfo.match(r"is not a valid state label")
assert excinfo.type == settings.LabelError
def test_decay_missing_S_state():
data = data_abs_ok + '''sensitizer_decay:
1ES: 2e-3
activator_decay:
3F4: 12e-3
3H5: 25e-6
3H4: 2e-3
3F3: 2e-6
1G4: 760e-6
1D2: 67.5e-6
'''
data = data.replace('sensitizer_states_labels: [GS, ES]',
'sensitizer_states_labels: [GS, 1ES, 2ES]')
with pytest.raises(SettingsValueError) as excinfo: # 2ES state missing
with temp_config_filename(data) as filename:
settings.load(filename)
assert excinfo.match(r"All sensitizer states must have a decay rate")
assert excinfo.type == SettingsValueError
def test_sim_steady1(setup_cte_sim):
'''Test that the steady state solution is saved a loaded correctly'''
setup_cte_sim['excitations']['Vis_473'][0].t_pulse = 1e-08
with temp_bin_filename() as temp_filename:
sim = simulations.Simulations(setup_cte_sim, full_path=temp_filename)
assert sim.cte == setup_cte_sim
solution = sim.simulate_steady_state()
assert solution
solution.log_populations()
solution.plot()
solution.log_populations() # redo
with temp_config_filename('') as filename:
solution.save(filename)
sol_hdf5 = simulations.SteadyStateSolution.load(filename)
assert sol_hdf5
assert sol_hdf5 == solution
sol_hdf5.plot()
plotter.plt.close('all')
def test_lattice_config(lattice_values):
data_format = data_lattice.format(*lattice_values)
with pytest.raises(SettingsValueError) as excinfo:
with temp_config_filename(data_format) as filename:
settings.load(filename)
assert excinfo.type == SettingsValueError
def test_not_dict_config():
with pytest.raises(SettingsFileError) as excinfo:
with temp_config_filename('vers') as filename:
settings.load(filename)
assert excinfo.match(r"The settings file is empty or otherwise invalid")
assert excinfo.type == SettingsFileError
def test_yaml_error_config(bad_yaml_data):
with pytest.raises(SettingsFileError) as excinfo:
with temp_config_filename(bad_yaml_data) as filename:
settings.load(filename)
assert excinfo.match(r"Error while parsing the config file")
assert excinfo.type == SettingsFileError
def test_conc_dep_config2(): # not present
data = data_ET_ok + ''''''
with temp_config_filename(data) as filename:
cte = settings.load(filename)
assert 'concentration_dependence' not in cte
def load_from_text(text_data: str) -> Settings:
'''Creates a new Settings instance and loads the configuration file.
Returns the Settings instance (dict-like).'''
with temp_config_filename(text_data) as filename:
settings = load_file(filename)
return settings