import gaspype as gp import pytest import numpy as np def test_elements_from_dict(): el = gp.elements({'Si': 1, 'H': 1, 'O': 1}) fl = gp.equilibrium(el, t=1000, p=1e5) assert 'SiO' in el.fs.species and \ 'SiH' in el.fs.species and \ 'H2' in el.fs.species assert fl.get_x('H2') == pytest.approx(0.3333, abs=0.5) def test_elements_from_dict_with_fs(): fs = gp.fluid_system('Si, O2, H2') el = gp.elements({'Si': 1, 'O': 2}, fs) fl = gp.equilibrium(el, t=1000, p=1e5) assert 'SiO' not in el.fs.species and \ 'Si' in el.fs.species and \ 'O2' in el.fs.species assert len(fl.fs.species) == 3 assert np.sum(el) == 3 def test_elements_from_fluid(): fl = gp.fluid({'SiO': 1, 'H2': 1, 'O2': 1}) el = gp.elements(fl) assert 'SiO' in el.fs.species and \ 'SiH' not in el.fs.species and \ 'O2' in el.fs.species and \ 'H2' in el.fs.species def test_elements_mass(): el = gp.elements({'Si': 1, 'O': 2}) assert el.get_mass() == pytest.approx(0.0601, abs=0.0001)