def test_plot_entry_stability(self):
entry = self.pd.all_entries[0]
plt = self.plotter.plot_entry_stability(entry,
limits=[[-2, 14], [-3, 3]])
# binary system
pd_binary = PourbaixDiagram(self.multi_data['binary'],
comp_dict={
"Ag": 0.5,
"Te": 0.5
})
binary_plotter = PourbaixPlotter(pd_binary)
test_entry = pd_binary._unprocessed_entries[0]
binary_plotter.plot_entry_stability(test_entry)
class TestPourbaixPlotter(unittest.TestCase):
def setUp(self):
warnings.simplefilter("ignore")
module_dir = os.path.dirname(os.path.abspath(__file__))
(elements, entries) = PourbaixEntryIO.from_csv(
os.path.join(module_dir, "test_entries.csv"))
self.num_simplices = {
"Zn(s)": 7,
"ZnO2(s)": 7,
"Zn[2+]": 4,
"ZnO2[2-]": 4,
"ZnHO2[-]": 4
}
self.e_above_hull_test = {"ZnHO[+]": 0.0693, "ZnO(aq)": 0.0624}
self.decomp_test = {
"ZnHO[+]": {
"ZnO(s)": 0.5,
"Zn[2+]": 0.5
},
"ZnO(aq)": {
"ZnO(s)": 1.0
}
}
self.pd = PourbaixDiagram(entries)
self.multi_data = loadfn(os.path.join(test_dir, 'multicomp_pbx.json'))
self.plotter = PourbaixPlotter(self.pd)
def tearDown(self):
warnings.resetwarnings()
def test_plot_pourbaix(self):
# Default limits
plt = self.plotter.get_pourbaix_plot()
# Non-standard limits
plt = self.plotter.get_pourbaix_plot(limits=[[-5, 4], [-2, 2]])
# Try 3-D plot
plot_3d = self.plotter._get_plot()
plot_3d_unstable = self.plotter._get_plot(label_unstable=True)
plt.close()
plot_3d.close()
plot_3d_unstable.close()
def test_plot_entry_stability(self):
entry = self.pd.all_entries[0]
plt = self.plotter.plot_entry_stability(entry,
limits=[[-2, 14], [-3, 3]])
# binary system
pd_binary = PourbaixDiagram(self.multi_data['binary'],
comp_dict={
"Ag": 0.5,
"Te": 0.5
})
binary_plotter = PourbaixPlotter(pd_binary)
test_entry = pd_binary._unprocessed_entries[0]
plt = binary_plotter.plot_entry_stability(test_entry)
plt.close()
class TestPourbaixPlotter(unittest.TestCase):
def setUp(self):
module_dir = os.path.dirname(os.path.abspath(__file__))
(elements, entries) = PourbaixEntryIO.from_csv(
os.path.join(module_dir, "test_entries.csv"))
self.num_simplices = {
"Zn(s)": 7,
"ZnO2(s)": 7,
"Zn[2+]": 4,
"ZnO2[2-]": 4,
"ZnHO2[-]": 4
}
self.e_above_hull_test = {"ZnHO[+]": 0.0693, "ZnO(aq)": 0.0624}
self.decomp_test = {
"ZnHO[+]": {
"ZnO(s)": 0.5,
"Zn[2+]": 0.5
},
"ZnO(aq)": {
"ZnO(s)": 1.0
}
}
self.pd = PourbaixDiagram(entries)
self.plotter = PourbaixPlotter(self.pd)
def test_plot_pourbaix(self):
plt = self.plotter.get_pourbaix_plot(limits=[[-2, 14], [-3, 3]])
def test_get_entry_stability(self):
entry = self.pd.all_entries[0]
plt = self.plotter.plot_entry_stability(entry,
limits=[[-2, 14], [-3, 3]])
def test_plot_entry_stability(self):
entry = self.pd.all_entries[0]
plt = self.plotter.plot_entry_stability(entry, limits=[[-2, 14], [-3, 3]])
# binary system
pd_binary = PourbaixDiagram(self.multi_data['binary'],
comp_dict = {"Ag": 0.5, "Te": 0.5})
binary_plotter = PourbaixPlotter(pd_binary)
test_entry = pd_binary._unprocessed_entries[0]
plt = binary_plotter.plot_entry_stability(test_entry)
plt.close()
class TestPourbaixPlotter(unittest.TestCase):
def setUp(self):
warnings.simplefilter("ignore")
module_dir = os.path.dirname(os.path.abspath(__file__))
(elements, entries) = PourbaixEntryIO.from_csv(os.path.join(module_dir,
"test_entries.csv"))
self.num_simplices = {"Zn(s)": 7, "ZnO2(s)": 7, "Zn[2+]": 4, "ZnO2[2-]": 4, "ZnHO2[-]": 4}
self.e_above_hull_test = {"ZnHO[+]": 0.0693, "ZnO(aq)": 0.0624}
self.decomp_test = {"ZnHO[+]": {"ZnO(s)": 0.5, "Zn[2+]": 0.5}, "ZnO(aq)": {"ZnO(s)": 1.0}}
self.pd = PourbaixDiagram(entries)
self.multi_data = loadfn(os.path.join(test_dir, 'multicomp_pbx.json'))
self.plotter = PourbaixPlotter(self.pd)
def tearDown(self):
warnings.resetwarnings()
def test_plot_pourbaix(self):
# Default limits
plt = self.plotter.get_pourbaix_plot()
# Non-standard limits
plt = self.plotter.get_pourbaix_plot(limits=[[-5, 4], [-2, 2]])
# Try 3-D plot
plot_3d = self.plotter._get_plot()
plot_3d_unstable = self.plotter._get_plot(label_unstable=True)
plt.close()
plot_3d.close()
plot_3d_unstable.close()
def test_plot_entry_stability(self):
entry = self.pd.all_entries[0]
plt = self.plotter.plot_entry_stability(entry, limits=[[-2, 14], [-3, 3]])
# binary system
pd_binary = PourbaixDiagram(self.multi_data['binary'],
comp_dict = {"Ag": 0.5, "Te": 0.5})
binary_plotter = PourbaixPlotter(pd_binary)
test_entry = pd_binary._unprocessed_entries[0]
plt = binary_plotter.plot_entry_stability(test_entry)
plt.close()