def test_serialization(self):
d = self.pbx.as_dict()
new = PourbaixDiagram.from_dict(d)
self.assertEqual(set([e.name for e in new.stable_entries]),
{"ZnO(s)", "Zn[2+]", "ZnHO2[-]", "ZnO2[2-]", "Zn(s)"},
"List of stable entries does not match")
# Test with unprocessed entries included, this should result in the
# previously filtered entries being included
d = self.pbx.as_dict(include_unprocessed_entries=True)
new = PourbaixDiagram.from_dict(d)
self.assertEqual(
set([e.name for e in new.stable_entries]), {
"ZnO(s)", "Zn[2+]", "ZnHO2[-]", "ZnO2[2-]", "Zn(s)", "ZnO2(s)",
"ZnH(s)"
}, "List of stable entries for unfiltered pbx does not match")
pd_binary = PourbaixDiagram(self.test_data['Ag-Te'],
filter_solids=True,
comp_dict={
"Ag": 0.5,
"Te": 0.5
},
conc_dict={
"Ag": 1e-8,
"Te": 1e-8
})
new_binary = PourbaixDiagram.from_dict(pd_binary.as_dict())
self.assertEqual(len(pd_binary.stable_entries),
len(new_binary.stable_entries))
def test_serialization(self):
d = self.pbx.as_dict()
new = PourbaixDiagram.from_dict(d)
self.assertEqual(
{e.name
for e in new.stable_entries},
{"ZnO(s)", "Zn[2+]", "ZnHO2[-]", "ZnO2[2-]", "Zn(s)"},
"List of stable entries does not match",
)
# Test with unstable solid entries included (filter_solids=False), this should result in the
# previously filtered entries being included
with pytest.warns(
DeprecationWarning,
match="The include_unprocessed_entries kwarg is deprecated!"):
d = self.pbx_nofilter.as_dict(include_unprocessed_entries=True)
new = PourbaixDiagram.from_dict(d)
self.assertEqual(
{e.name
for e in new.stable_entries},
{
"ZnO(s)", "Zn[2+]", "ZnHO2[-]", "ZnO2[2-]", "Zn(s)", "ZnO2(s)",
"ZnH(s)"
},
"List of stable entries for unfiltered pbx does not match",
)
pd_binary = PourbaixDiagram(
self.test_data["Ag-Te"],
filter_solids=True,
comp_dict={
"Ag": 0.5,
"Te": 0.5
},
conc_dict={
"Ag": 1e-8,
"Te": 1e-8
},
)
new_binary = PourbaixDiagram.from_dict(pd_binary.as_dict())
self.assertEqual(len(pd_binary.stable_entries),
len(new_binary.stable_entries))
def test_serialization(self):
d = self.pbx.as_dict()
new = PourbaixDiagram.from_dict(d)
self.assertEqual(set([e.name for e in new.stable_entries]),
{"ZnO(s)", "Zn[2+]", "ZnHO2[-]", "ZnO2[2-]", "Zn(s)"},
"List of stable entries does not match")
# Test with unprocessed entries included, this should result in the
# previously filtered entries being included
d = self.pbx.as_dict(include_unprocessed_entries=True)
new = PourbaixDiagram.from_dict(d)
self.assertEqual(
set([e.name for e in new.stable_entries]),
{"ZnO(s)", "Zn[2+]", "ZnHO2[-]", "ZnO2[2-]", "Zn(s)", "ZnO2(s)", "ZnH(s)"},
"List of stable entries for unfiltered pbx does not match")
pd_binary = PourbaixDiagram(self.test_data['Ag-Te'], filter_solids=True,
comp_dict={"Ag": 0.5, "Te": 0.5},
conc_dict={"Ag": 1e-8, "Te": 1e-8})
new_binary = PourbaixDiagram.from_dict(pd_binary.as_dict())
self.assertEqual(len(pd_binary.stable_entries),
len(new_binary.stable_entries))
