def test_to_from_dict(self):
d = self.entry.as_dict()
gpd = self.gpentry.as_dict()
entry = PDEntry.from_dict(d)
self.assertEqual(entry.name, "LiFeO2", "Wrong name!")
self.assertEqual(entry.energy_per_atom, 53.0 / 4)
gpentry = GrandPotPDEntry.from_dict(gpd)
self.assertEqual(gpentry.name, "LiFeO2", "Wrong name!")
self.assertEqual(gpentry.energy_per_atom, 50.0 / 2)
d_anon = d.copy()
del d_anon["name"]
try:
entry = PDEntry.from_dict(d_anon)
except KeyError:
self.fail("Should not need to supply name!")
def test_str(self):
self.assertEqual(
str(self.entry),
"PDEntry : Li1 Fe1 O2 (mp-757614) with energy = 53.0000")
pde = self.entry.as_dict()
del pde["name"]
pde = PDEntry.from_dict(pde)
self.assertEqual(str(pde),
"PDEntry : Li1 Fe1 O2 with energy = 53.0000")
def from_dict(cls, d):
"""
Invokes
"""
entry_type = d["entry_type"]
if entry_type == "Ion":
entry = IonEntry.from_dict(d["entry"])
else:
entry = PDEntry.from_dict(d["entry"])
entry_id = d["entry_id"]
concentration = d["concentration"]
return PourbaixEntry(entry, entry_id, concentration)
def from_dict(cls, d):
"""
Invokes
"""
entry_type = d["entry_type"]
if entry_type == "Ion":
entry = IonEntry.from_dict(d["entry"])
else:
entry = PDEntry.from_dict(d["entry"])
entry_id = d["entry_id"]
concentration = d["concentration"]
return PourbaixEntry(entry, entry_id, concentration)
def from_dict(cls, d):
"""
Returns a PourbaixEntry by reading in an Ion
"""
entry_type = d["entry type"]
if entry_type == "Ion":
entry = IonEntry.from_dict(d["entry"])
else:
entry = PDEntry.from_dict(d["entry"])
correction = d["correction"]
entry_id = d["entry_id"]
return PourbaixEntry(entry, correction, entry_id)
def from_dict(cls, d):
"""
Returns a PourbaixEntry by reading in an Ion
"""
entry_type = d["entry type"]
if entry_type == "Ion":
entry = IonEntry.from_dict(d["entry"])
else:
entry = PDEntry.from_dict(d["entry"])
correction = d["correction"]
entry_id = d["entry_id"]
return PourbaixEntry(entry, correction, entry_id)
