def test_to_from_dict(self):
# test round-trip for other entry types such as ComputedEntry
entry = ComputedEntry("H", 0.0, 0.0, entry_id="test")
pd = PhaseDiagram([entry])
d = pd.as_dict()
pd_roundtrip = PhaseDiagram.from_dict(d)
self.assertEqual(pd.all_entries[0].entry_id, pd_roundtrip.all_entries[0].entry_id)
dd = self.pd.as_dict()
new_pd = PhaseDiagram.from_dict(dd)
new_dd = new_pd.as_dict()
self.assertEqual(new_dd, dd)
self.assertIsInstance(pd.to_json(), str)
def from_dict(cls, d):
"""
Constructor of PressureReservoirs object from dictionary representation.
Parameters
----------
d : dict
Returns
-------
PressureReservoirs object.
"""
res_dict = {}
for res, chempots in d['res_dict'].items():
res_dict[res] = {Element(el): chempots[el] for el in chempots}
temperature = d['temperature'] if 'temperature' in d.keys() else None
if 'phase_diagram' in d.keys() and d['phase_diagram'] is not None:
phase_diagram = PhaseDiagram.from_dict(d['phase_diagram'])
else:
phase_diagram = None
mu_refs = d['mu_refs'] if 'mu_refs' in d.keys() else None
are_chempots_delta = d['are_chempots_delta']
return cls(res_dict, temperature, phase_diagram, mu_refs,
are_chempots_delta)
def test_to_from_dict(self):
# test round-trip for other entry types such as ComputedEntry
entry = ComputedEntry("H", 0.0, 0.0, entry_id="test")
pd = PhaseDiagram([entry])
d = pd.as_dict()
pd_roundtrip = PhaseDiagram.from_dict(d)
self.assertEqual(pd.all_entries[0].entry_id, pd_roundtrip.all_entries[0].entry_id)
