def test_add_phases_right_use():
"""Test the normal use of addAqueousPhase, addGaseousPhase and addMineralPhase."""
database = Database("supcrt98.xml")
# Check adding phase by giving an string with all species
list_of_aqueous_species_expected = r"H2O\(l\)\s*H\+\s*OH-\s*HCO3-\s*CO2\(aq\)\s*CO3--\s*"
list_of_gaseous_species_expected = r"H2O\(g\)\s*CO2\(g\)\s*"
list_of_liquid_species_expected = r"H2O\(liq\)\s*CO2\(liq\)\s*"
list_of_mineral_species_expected = r"Graphite\s*"
editor1 = ChemicalEditor(database)
editor1.addAqueousPhase("H2O(l) H+ OH- HCO3- CO2(aq) CO3--")
editor1.addGaseousPhase("H2O(g) CO2(g)")
editor1.addLiquidPhase("H2O(liq) CO2(liq)")
editor1.addMineralPhase("Graphite")
aqueous_phase_1 = editor1.aqueousPhase()
gaseous_phase_1 = editor1.gaseousPhase()
liquid_phase_1 = editor1.liquidPhase()
mineral_phases_1 = editor1.mineralPhases()
aqueous_species_added_1 = _getting_species_names(aqueous_phase_1)
gaseous_species_added_1 = _getting_species_names(gaseous_phase_1)
liquid_species_added_1 = _getting_species_names(liquid_phase_1)
mineral_species_added_1 = _getting_species_names(mineral_phases_1[0])
assert re.match(list_of_aqueous_species_expected, aqueous_species_added_1)
assert re.match(list_of_gaseous_species_expected, gaseous_species_added_1)
assert re.match(list_of_liquid_species_expected, liquid_species_added_1)
assert re.match(list_of_mineral_species_expected, mineral_species_added_1)
# Check adding phase by giving a list of string with all species
editor2 = ChemicalEditor(database)
editor2.addAqueousPhase(
["H2O(l)", "H+", "OH-", "HCO3-", "CO2(aq)", "CO3--"])
editor2.addGaseousPhase(["H2O(g)", "CO2(g)"])
editor2.addLiquidPhase(["H2O(liq)", "CO2(liq)"])
editor2.addMineralPhase(["Graphite"])
aqueous_phase_2 = editor2.aqueousPhase()
gaseous_phase_2 = editor2.gaseousPhase()
liquid_phase_2 = editor2.liquidPhase()
mineral_phases_2 = editor2.mineralPhases()
aqueous_species_added_2 = _getting_species_names(aqueous_phase_2)
gaseous_species_added_2 = _getting_species_names(gaseous_phase_2)
liquid_species_added_2 = _getting_species_names(liquid_phase_2)
mineral_species_added_2 = _getting_species_names(mineral_phases_2[0])
assert re.match(list_of_aqueous_species_expected, aqueous_species_added_2)
assert re.match(list_of_gaseous_species_expected, gaseous_species_added_2)
assert re.match(list_of_liquid_species_expected, liquid_species_added_2)
assert re.match(list_of_mineral_species_expected, mineral_species_added_2)
def test_chemical_editor_adding_and_getting_phases():
database = Database("supcrt98.xml")
editor = ChemicalEditor(database)
gaseous_phase = GaseousPhase()
liquid_phase = LiquidPhase()
mineral_phase = MineralPhase()
editor.addPhase(gaseous_phase)
editor.addPhase(liquid_phase)
editor.addPhase(mineral_phase)
assert editor.gaseousPhase().name() == gaseous_phase.name()
assert editor.liquidPhase().name() == liquid_phase.name()
assert editor.mineralPhases()[0].name() == mineral_phase.name()
